smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000721238859 712900135 /nfs/dbraw/zinc/90/01/35/712900135.db2.gz LPLHYJAVYKNRPS-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H]1OCCN(CCCCCCC[NH3+])[C@@H]1C ZINC000380492804 712901371 /nfs/dbraw/zinc/90/13/71/712901371.db2.gz AYTFQNFSUKSUIY-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000383994985 710987252 /nfs/dbraw/zinc/98/72/52/710987252.db2.gz AATPGSLGIGAVAH-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000383994985 710987255 /nfs/dbraw/zinc/98/72/55/710987255.db2.gz AATPGSLGIGAVAH-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)[C@@H]1C ZINC000380702836 712902568 /nfs/dbraw/zinc/90/25/68/712902568.db2.gz XSIZJJVEFUAALL-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)[C@@H]1C ZINC000380702836 712902569 /nfs/dbraw/zinc/90/25/69/712902569.db2.gz XSIZJJVEFUAALL-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)(CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000385592989 711016860 /nfs/dbraw/zinc/01/68/60/711016860.db2.gz IZMANBUPJVFUCD-RCZQDCHWSA-N 1 3 248.414 2.399 20 0 BEADHO C[C@H](NCCC1CCC1)[C@H]1CCCC[NH2+]1 ZINC000386139956 711023536 /nfs/dbraw/zinc/02/35/36/711023536.db2.gz QGBISVJWMRZENV-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](NCCC1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386139957 711023596 /nfs/dbraw/zinc/02/35/96/711023596.db2.gz QGBISVJWMRZENV-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000389668972 711085641 /nfs/dbraw/zinc/08/56/41/711085641.db2.gz SJKUAHWRFHJXTG-UWVGGRQHSA-N 1 3 220.307 2.089 20 0 BEADHO C[C@@H]1CN(CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000390067680 711104550 /nfs/dbraw/zinc/10/45/50/711104550.db2.gz DIHZGKAVIFLIAG-ZJUUUORDSA-N 1 3 220.307 2.091 20 0 BEADHO C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C)(C)C ZINC000392940424 711155388 /nfs/dbraw/zinc/15/53/88/711155388.db2.gz ZVXFSTBTWMBYRK-QQOHENMQSA-N 1 3 236.403 2.255 20 0 BEADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCC(F)(F)F ZINC000396615729 711361857 /nfs/dbraw/zinc/36/18/57/711361857.db2.gz GEPNKVHGGKTQNG-BDAKNGLRSA-N 1 3 224.270 2.059 20 0 BEADHO CSC1(CN[C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396541579 711353982 /nfs/dbraw/zinc/35/39/82/711353982.db2.gz ATDKCCVTFAWOSI-MNOVXSKESA-N 1 3 228.405 2.002 20 0 BEADHO CCc1ccccc1C[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396567802 711355125 /nfs/dbraw/zinc/35/51/25/711355125.db2.gz WLGMVDJZOVRJFG-IUODEOHRSA-N 1 3 232.371 2.479 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396570679 711356010 /nfs/dbraw/zinc/35/60/10/711356010.db2.gz LESJISNXQSHQNP-YFKTTZPYSA-N 1 3 228.405 2.001 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@]1(C)CCCNC1 ZINC000399010442 711419220 /nfs/dbraw/zinc/41/92/20/711419220.db2.gz AOJKZDOANIEESG-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@]1(C)CCCNC1 ZINC000399010442 711419225 /nfs/dbraw/zinc/41/92/25/711419225.db2.gz AOJKZDOANIEESG-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)([NH3+])CCNCc1cccc2cccnc21 ZINC000384982108 711003051 /nfs/dbraw/zinc/00/30/51/711003051.db2.gz NQAQNCLYJZANLX-UHFFFAOYSA-N 1 3 243.354 2.452 20 0 BEADHO CC(C)C[C@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000396964927 711374436 /nfs/dbraw/zinc/37/44/36/711374436.db2.gz DCDFVDCNAOAGQH-GHMZBOCLSA-N 1 3 234.334 2.479 20 0 BEADHO C[C@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000383185658 711457195 /nfs/dbraw/zinc/45/71/95/711457195.db2.gz QSOQZMLDXXMURQ-SFWGVHFYSA-N 1 3 234.387 2.151 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000724203843 711569670 /nfs/dbraw/zinc/56/96/70/711569670.db2.gz VWZFYEKQMDPKCQ-KBPBESRZSA-N 1 3 222.376 2.450 20 0 BEADHO CSC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000229083499 711837648 /nfs/dbraw/zinc/83/76/48/711837648.db2.gz DKWQBQAFSMAKRA-GHMZBOCLSA-N 1 3 230.421 2.235 20 0 BEADHO CC1(C)CC(C[N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000530219203 711937787 /nfs/dbraw/zinc/93/77/87/711937787.db2.gz OPDSMGFERGUNJT-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO CC1(C)CC(C[N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000530219203 711937788 /nfs/dbraw/zinc/93/77/88/711937788.db2.gz OPDSMGFERGUNJT-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H](CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)N(C)C ZINC000700472534 711994071 /nfs/dbraw/zinc/99/40/71/711994071.db2.gz RZYAQXOLIMBXQO-SYQHCUMBSA-N 1 3 224.392 2.352 20 0 BEADHO CCCCCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702628111 712057015 /nfs/dbraw/zinc/05/70/15/712057015.db2.gz QVBBZBWZFAFNTJ-OKILXGFUSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCCC23CC3)CCCNC1 ZINC000706589402 712150495 /nfs/dbraw/zinc/15/04/95/712150495.db2.gz OOCFSCHMIVIETA-STQMWFEESA-N 1 3 222.376 2.298 20 0 BEADHO C[C@H](C[N@@H+](C)CCCN)CC(C)(C)C ZINC000708315136 712186304 /nfs/dbraw/zinc/18/63/04/712186304.db2.gz SRXBGHWLIOQFBY-NSHDSACASA-N 1 3 200.370 2.339 20 0 BEADHO C[C@H](C[N@H+](C)CCCN)CC(C)(C)C ZINC000708315136 712186302 /nfs/dbraw/zinc/18/63/02/712186302.db2.gz SRXBGHWLIOQFBY-NSHDSACASA-N 1 3 200.370 2.339 20 0 BEADHO C[C@@H](Cc1ccco1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709460887 712222373 /nfs/dbraw/zinc/22/23/73/712222373.db2.gz PPYXNLBLZKIZGU-ACJTYDJDSA-N 1 3 234.343 2.083 20 0 BEADHO C[C@H](CC1CCC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000710264562 712250158 /nfs/dbraw/zinc/25/01/58/712250158.db2.gz XBVIBKPAJICNIK-PCTWNACOSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1CSCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000379538600 712387667 /nfs/dbraw/zinc/38/76/67/712387667.db2.gz DRSYCTADWCUIAM-STQMWFEESA-N 1 3 242.432 2.061 20 0 BEADHO C[C@@H]1CSCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000379538600 712387669 /nfs/dbraw/zinc/38/76/69/712387669.db2.gz DRSYCTADWCUIAM-STQMWFEESA-N 1 3 242.432 2.061 20 0 BEADHO C=C/C=C\CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000713753759 712471541 /nfs/dbraw/zinc/47/15/41/712471541.db2.gz FGBIVYHQVQOHEB-GLCHUSEXSA-N 1 3 222.376 2.424 20 0 BEADHO C=C/C=C\CC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000713753759 712471542 /nfs/dbraw/zinc/47/15/42/712471542.db2.gz FGBIVYHQVQOHEB-GLCHUSEXSA-N 1 3 222.376 2.424 20 0 BEADHO CC1(C)CCC[C@@H](C[N@@H+]2CCCC[C@@H]2CN)O1 ZINC000714321996 712482227 /nfs/dbraw/zinc/48/22/27/712482227.db2.gz XOONDTDWMVOKRK-OLZOCXBDSA-N 1 3 240.391 2.147 20 0 BEADHO CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@@H]2CN)O1 ZINC000714321996 712482228 /nfs/dbraw/zinc/48/22/28/712482228.db2.gz XOONDTDWMVOKRK-OLZOCXBDSA-N 1 3 240.391 2.147 20 0 BEADHO CO[C@H]1C[C@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000714708610 712496154 /nfs/dbraw/zinc/49/61/54/712496154.db2.gz WHUPMEWIDANCAV-GVARAGBVSA-N 1 3 246.354 2.146 20 0 BEADHO CO[C@H]1C[C@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000714708621 712496286 /nfs/dbraw/zinc/49/62/86/712496286.db2.gz WHUPMEWIDANCAV-YIKOMLBNSA-N 1 3 246.354 2.146 20 0 BEADHO CC[C@](C)(C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)OC ZINC000715543933 712527289 /nfs/dbraw/zinc/52/72/89/712527289.db2.gz OSFVEERIKZPQLK-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CO1 ZINC000715560760 712528566 /nfs/dbraw/zinc/52/85/66/712528566.db2.gz DSWDTWUOPPHTQA-ZOBORPQBSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CO1 ZINC000715560760 712528569 /nfs/dbraw/zinc/52/85/69/712528569.db2.gz DSWDTWUOPPHTQA-ZOBORPQBSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CS1 ZINC000715572727 712529322 /nfs/dbraw/zinc/52/93/22/712529322.db2.gz MVADITPXZXVCFP-VOAKCMCISA-N 1 3 242.432 2.343 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CS1 ZINC000715572721 712529435 /nfs/dbraw/zinc/52/94/35/712529435.db2.gz MVADITPXZXVCFP-FVCCEPFGSA-N 1 3 242.432 2.343 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCCC2CC2)C1 ZINC000813335343 712587836 /nfs/dbraw/zinc/58/78/36/712587836.db2.gz AHENPZUPACKVIL-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000813335343 712587838 /nfs/dbraw/zinc/58/78/38/712587838.db2.gz AHENPZUPACKVIL-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@@H]1CCN(CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718570264 712775079 /nfs/dbraw/zinc/77/50/79/712775079.db2.gz JJFKHMLOJIXFSL-MNOVXSKESA-N 1 3 234.334 2.339 20 0 BEADHO COCC(C)(C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000718713871 712778149 /nfs/dbraw/zinc/77/81/49/712778149.db2.gz AERMGYYXQGDSPS-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCC(C)(F)F)C1 ZINC000718710772 712778363 /nfs/dbraw/zinc/77/83/63/712778363.db2.gz XXMGTYVCLJURJV-GHMZBOCLSA-N 1 3 234.334 2.481 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000718774413 712782481 /nfs/dbraw/zinc/78/24/81/712782481.db2.gz HUVLAJXYBAHQLK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCSC1)CN1CCCCC1 ZINC000038041653 712801491 /nfs/dbraw/zinc/80/14/91/712801491.db2.gz GIKKLCGTDAZDLJ-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+]C1CCCCCC1 ZINC000720779077 712865309 /nfs/dbraw/zinc/86/53/09/712865309.db2.gz FLNCCTGARQNACD-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CN(c2cc3[nH]ccc3c[nH+]2)[C@@H](C)CN1C ZINC001164633108 719161905 /nfs/dbraw/zinc/16/19/05/719161905.db2.gz GQCPUZRVXALSJZ-QWRGUYRKSA-N 1 3 244.342 2.092 20 0 BEADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCOC1CCCC1 ZINC000925530893 960286627 /nfs/dbraw/zinc/28/66/27/960286627.db2.gz HHOSLVKKSNCKSQ-OCCSQVGLSA-N 1 3 240.391 2.066 20 0 BEADHO Cc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000697886870 964632942 /nfs/dbraw/zinc/63/29/42/964632942.db2.gz IWUGWKZIDJDNJG-CYBMUJFWSA-N 1 3 220.360 2.425 20 0 BEADHO CNCC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC000083839995 1165934403 /nfs/dbraw/zinc/93/44/03/1165934403.db2.gz QVGJUZIJYZOTRL-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CNCC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC000083839995 1165934410 /nfs/dbraw/zinc/93/44/10/1165934410.db2.gz QVGJUZIJYZOTRL-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)N(C)CCC[NH2+]CC1(O)CCCCC1 ZINC000226389984 1165972760 /nfs/dbraw/zinc/97/27/60/1165972760.db2.gz ZHPWJSYACADDDB-UHFFFAOYSA-N 1 3 242.407 2.002 20 0 BEADHO CC(C)[N@H+](C)CCCNCC1(O)CCCCC1 ZINC000226389984 1165972769 /nfs/dbraw/zinc/97/27/69/1165972769.db2.gz ZHPWJSYACADDDB-UHFFFAOYSA-N 1 3 242.407 2.002 20 0 BEADHO CC(C)[N@@H+](C)CCCNCC1(O)CCCCC1 ZINC000226389984 1165972773 /nfs/dbraw/zinc/97/27/73/1165972773.db2.gz ZHPWJSYACADDDB-UHFFFAOYSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@@H](O)CN(CC)CCC[NH+](C)C ZINC001253540542 969212178 /nfs/dbraw/zinc/21/21/78/969212178.db2.gz FIYKEFJNKVNPFP-CQSZACIVSA-N 1 3 244.423 2.201 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]3CCC[C@H]32)CN1 ZINC000228018615 1166379982 /nfs/dbraw/zinc/37/99/82/1166379982.db2.gz VEUCWUGYRDUPKE-ZOBORPQBSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3CCC[C@H]32)CN1 ZINC000228018615 1166379990 /nfs/dbraw/zinc/37/99/90/1166379990.db2.gz VEUCWUGYRDUPKE-ZOBORPQBSA-N 1 3 222.376 2.391 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C2 ZINC001169079812 969404548 /nfs/dbraw/zinc/40/45/48/969404548.db2.gz LRSBOXJDDFOICL-ILWJIGKKSA-N 1 3 236.281 2.154 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(F)cc2)C12CCC2 ZINC000405201587 1166404071 /nfs/dbraw/zinc/40/40/71/1166404071.db2.gz CVSATXQTDRYVJX-KGLIPLIRSA-N 1 3 248.345 2.228 20 0 BEADHO CC(C)[NH+]1CCC(NCCC(F)F)CC1 ZINC000393797124 1166535284 /nfs/dbraw/zinc/53/52/84/1166535284.db2.gz OMRNRYAAHRCNHW-UHFFFAOYSA-N 1 3 220.307 2.104 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H]1CCOC(C)(C)C1 ZINC001255527346 970290685 /nfs/dbraw/zinc/29/06/85/970290685.db2.gz KDKGTXUYXAOMKR-GFCCVEGCSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H]1CCOC(C)(C)C1 ZINC001255527346 970290703 /nfs/dbraw/zinc/29/07/03/970290703.db2.gz KDKGTXUYXAOMKR-GFCCVEGCSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000252968675 1166774159 /nfs/dbraw/zinc/77/41/59/1166774159.db2.gz YSHLPAJQSFDQCS-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000252968675 1166774162 /nfs/dbraw/zinc/77/41/62/1166774162.db2.gz YSHLPAJQSFDQCS-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO CC[NH+](CC)CC[C@H](C)n1ccnc1[C@H](C)N ZINC001255940628 970572297 /nfs/dbraw/zinc/57/22/97/970572297.db2.gz FDPYJEAWEMCGBA-RYUDHWBXSA-N 1 3 238.379 2.196 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C12CC(C1)C2 ZINC001255943366 970575608 /nfs/dbraw/zinc/57/56/08/970575608.db2.gz LQHRROWVSXNJDW-PNESKVBLSA-N 1 3 210.365 2.249 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C12CC(C1)C2 ZINC001255943365 970576973 /nfs/dbraw/zinc/57/69/73/970576973.db2.gz LQHRROWVSXNJDW-HIFPTAJRSA-N 1 3 210.365 2.249 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC001255948098 970580247 /nfs/dbraw/zinc/58/02/47/970580247.db2.gz DYJCSMHPZPFWJY-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CCCC[C@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255946617 970584746 /nfs/dbraw/zinc/58/47/46/970584746.db2.gz XDPBKEYENHUSBF-ZIAGYGMSSA-N 1 3 244.423 2.248 20 0 BEADHO CCCC[C@H](CO)N[C@H](C)CC[NH+](CC)CC ZINC001255946617 970584761 /nfs/dbraw/zinc/58/47/61/970584761.db2.gz XDPBKEYENHUSBF-ZIAGYGMSSA-N 1 3 244.423 2.248 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](C)CC1CC1 ZINC001255954870 970586612 /nfs/dbraw/zinc/58/66/12/970586612.db2.gz JQAAFGCBOVZXRG-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](C)CC1CC1 ZINC001255954870 970586627 /nfs/dbraw/zinc/58/66/27/970586627.db2.gz JQAAFGCBOVZXRG-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](C)C(C)C ZINC001255955105 970589519 /nfs/dbraw/zinc/58/95/19/970589519.db2.gz NZEUJOGZKPPLLW-LBPRGKRZSA-N 1 3 200.370 2.447 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](C)C(C)C ZINC001255955105 970589531 /nfs/dbraw/zinc/58/95/31/970589531.db2.gz NZEUJOGZKPPLLW-LBPRGKRZSA-N 1 3 200.370 2.447 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC001255956750 970595455 /nfs/dbraw/zinc/59/54/55/970595455.db2.gz MCXFSMOPAAOKLB-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@H](C)C1 ZINC001255956750 970595466 /nfs/dbraw/zinc/59/54/66/970595466.db2.gz MCXFSMOPAAOKLB-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC001255955636 970595725 /nfs/dbraw/zinc/59/57/25/970595725.db2.gz VVDWTFRHROQINK-IHRRRGAJSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC001255955636 970595736 /nfs/dbraw/zinc/59/57/36/970595736.db2.gz VVDWTFRHROQINK-IHRRRGAJSA-N 1 3 242.407 2.264 20 0 BEADHO C(CN[C@@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000225110463 1166919078 /nfs/dbraw/zinc/91/90/78/1166919078.db2.gz MRKURUCZEDZGQG-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO C[NH+]1CCC(N2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001256205054 970706913 /nfs/dbraw/zinc/70/69/13/970706913.db2.gz VKGULSPKSARELR-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[NH+]1CCC(N2CC3CCC(CC3)C2)CC1 ZINC001256209893 970719430 /nfs/dbraw/zinc/71/94/30/970719430.db2.gz BZRAUSJLXSOCCJ-UHFFFAOYSA-N 1 3 222.376 2.203 20 0 BEADHO Cc1cnccc1CCN(C)CC[C@H]([NH3+])C(C)C ZINC000397484493 1166995061 /nfs/dbraw/zinc/99/50/61/1166995061.db2.gz AWQUZNKLDHIDTG-HNNXBMFYSA-N 1 3 249.402 2.238 20 0 BEADHO CC(C)C[N@H+](C)Cc1cc2c(s1)CCNC2 ZINC000688038037 1167024416 /nfs/dbraw/zinc/02/44/16/1167024416.db2.gz GXDWXXOCSAXCEB-UHFFFAOYSA-N 1 3 238.400 2.482 20 0 BEADHO CC(C)C[N@@H+](C)Cc1cc2c(s1)CCNC2 ZINC000688038037 1167024422 /nfs/dbraw/zinc/02/44/22/1167024422.db2.gz GXDWXXOCSAXCEB-UHFFFAOYSA-N 1 3 238.400 2.482 20 0 BEADHO C[C@@]1(N)CC[N@H+](CCCC2CCCC2)C1 ZINC001204763923 1167185637 /nfs/dbraw/zinc/18/56/37/1167185637.db2.gz SPWNWCMJZUEUCS-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@]1(N)CC[N@@H+](CCCC2CCCC2)C1 ZINC001204763923 1167185640 /nfs/dbraw/zinc/18/56/40/1167185640.db2.gz SPWNWCMJZUEUCS-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO C1CCC2(C1)CC[N@@H+]([C@@H]1CCCNC1)C2 ZINC000308955095 1167228236 /nfs/dbraw/zinc/22/82/36/1167228236.db2.gz YDUWCYWSKGBPRB-GFCCVEGCSA-N 1 3 208.349 2.005 20 0 BEADHO C1CCC2(C1)CC[N@H+]([C@@H]1CCCNC1)C2 ZINC000308955095 1167228241 /nfs/dbraw/zinc/22/82/41/1167228241.db2.gz YDUWCYWSKGBPRB-GFCCVEGCSA-N 1 3 208.349 2.005 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000309322877 1167290680 /nfs/dbraw/zinc/29/06/80/1167290680.db2.gz HKZYHKIQAJSOCM-QWRGUYRKSA-N 1 3 240.778 2.455 20 0 BEADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000689733037 1167463568 /nfs/dbraw/zinc/46/35/68/1167463568.db2.gz KAJWTJXABRQFAX-AGUYFDCRSA-N 1 3 248.370 2.345 20 0 BEADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000689733037 1167463572 /nfs/dbraw/zinc/46/35/72/1167463572.db2.gz KAJWTJXABRQFAX-AGUYFDCRSA-N 1 3 248.370 2.345 20 0 BEADHO C[C@H]([NH2+]C/C=C/C1CC1)[C@H]1CCCCN1 ZINC000386029319 1167497587 /nfs/dbraw/zinc/49/75/87/1167497587.db2.gz QJUVXGRHEOCSHH-SOHMCZBRSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CCCNC1 ZINC000252088985 1167588638 /nfs/dbraw/zinc/58/86/38/1167588638.db2.gz DHFGMHRDZVJKGO-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H]1CCCNC1 ZINC000252088985 1167588641 /nfs/dbraw/zinc/58/86/41/1167588641.db2.gz DHFGMHRDZVJKGO-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO COC1(CNCCC[N@H+](C)CC(C)C)CCC1 ZINC001336758220 977924088 /nfs/dbraw/zinc/92/40/88/977924088.db2.gz QASYISNIZZBQES-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO COC1(CNCCC[N@@H+](C)CC(C)C)CCC1 ZINC001336758220 977924098 /nfs/dbraw/zinc/92/40/98/977924098.db2.gz QASYISNIZZBQES-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C[C@@H]1C ZINC000310397857 1167681341 /nfs/dbraw/zinc/68/13/41/1167681341.db2.gz MIFPGUTWJHAJDJ-FQKPHLNHSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C[C@@H]1C ZINC000310397857 1167681345 /nfs/dbraw/zinc/68/13/45/1167681345.db2.gz MIFPGUTWJHAJDJ-FQKPHLNHSA-N 1 3 236.403 2.352 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+]1CCCCC[C@@H]1C ZINC000226957560 1167764425 /nfs/dbraw/zinc/76/44/25/1167764425.db2.gz YQKXHYYFMKHFOQ-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+]1CCCCC[C@@H]1C ZINC000226957560 1167764432 /nfs/dbraw/zinc/76/44/32/1167764432.db2.gz YQKXHYYFMKHFOQ-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO C1CC[C@H]2CCCN([C@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000252372139 1167826073 /nfs/dbraw/zinc/82/60/73/1167826073.db2.gz HBTGAYJPEGRVRI-MELADBBJSA-N 1 3 222.376 2.393 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235409751 979037078 /nfs/dbraw/zinc/03/70/78/979037078.db2.gz WUTILDPETAWHJQ-BFHYXJOUSA-N 1 3 242.382 2.446 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235409751 979037085 /nfs/dbraw/zinc/03/70/85/979037085.db2.gz WUTILDPETAWHJQ-BFHYXJOUSA-N 1 3 242.382 2.446 20 0 BEADHO C[N@@H+]1CCC[C@H](NCCOc2ccccc2)CC1 ZINC000086818955 1168311091 /nfs/dbraw/zinc/31/10/91/1168311091.db2.gz KJAUJRVMOFZSEE-AWEZNQCLSA-N 1 3 248.370 2.139 20 0 BEADHO C[N@H+]1CCC[C@H](NCCOc2ccccc2)CC1 ZINC000086818955 1168311098 /nfs/dbraw/zinc/31/10/98/1168311098.db2.gz KJAUJRVMOFZSEE-AWEZNQCLSA-N 1 3 248.370 2.139 20 0 BEADHO CCC1CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC000042515300 1168394242 /nfs/dbraw/zinc/39/42/42/1168394242.db2.gz HQWJCBBOXMQRAQ-HIFPTAJRSA-N 1 3 212.381 2.482 20 0 BEADHO CCC1CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC000042515300 1168394249 /nfs/dbraw/zinc/39/42/49/1168394249.db2.gz HQWJCBBOXMQRAQ-HIFPTAJRSA-N 1 3 212.381 2.482 20 0 BEADHO CCOCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001172414668 974682666 /nfs/dbraw/zinc/68/26/66/974682666.db2.gz GWOITIFXJWGAKA-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)OCC[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC001172438915 974796603 /nfs/dbraw/zinc/79/66/03/974796603.db2.gz ATOPVDBMVAYJHR-ZDUSSCGKSA-N 1 3 242.407 2.216 20 0 BEADHO CC(C)N(CCC[NH3+])[C@H](C)Cc1ccccn1 ZINC001256396861 970803581 /nfs/dbraw/zinc/80/35/81/970803581.db2.gz LVDWGPMCAFNWNO-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccccn1 ZINC001256396861 970803583 /nfs/dbraw/zinc/80/35/83/970803583.db2.gz LVDWGPMCAFNWNO-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccccn1 ZINC001256396861 970803586 /nfs/dbraw/zinc/80/35/86/970803586.db2.gz LVDWGPMCAFNWNO-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO C[C@H](Cc1ccccn1)[NH2+]C(C)(C)C(C)(C)N ZINC001256406088 970813153 /nfs/dbraw/zinc/81/31/53/970813153.db2.gz SGHSNAFMLKXLCN-LLVKDONJSA-N 1 3 235.375 2.118 20 0 BEADHO C[C@H](Cc1ccccn1)NC(C)(C)C(C)(C)[NH3+] ZINC001256406088 970813158 /nfs/dbraw/zinc/81/31/58/970813158.db2.gz SGHSNAFMLKXLCN-LLVKDONJSA-N 1 3 235.375 2.118 20 0 BEADHO CC/C=C/[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685272 970920947 /nfs/dbraw/zinc/92/09/47/970920947.db2.gz AWNHZVPRKVDFQD-FPYGCLRLSA-N 1 3 238.375 2.143 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccncc1 ZINC001256719860 970942323 /nfs/dbraw/zinc/94/23/23/970942323.db2.gz VIIMTBIPIVKBEI-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccncc1 ZINC001256719860 970942325 /nfs/dbraw/zinc/94/23/25/970942325.db2.gz VIIMTBIPIVKBEI-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCCN(CCC[NH3+])[C@H](C)Cc1ccncc1 ZINC001256719860 970942330 /nfs/dbraw/zinc/94/23/30/970942330.db2.gz VIIMTBIPIVKBEI-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO C[C@H]1CC([NH2+]CC[C@H]2CCCN2C)C[C@H](C)O1 ZINC001257084118 971094886 /nfs/dbraw/zinc/09/48/86/971094886.db2.gz ODYZNUQYEMYKCY-SGMGOOAPSA-N 1 3 240.391 2.016 20 0 BEADHO CCC(CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257297072 971183968 /nfs/dbraw/zinc/18/39/68/971183968.db2.gz PKHPUGPTPCQQDJ-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO CCC(CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257297072 971183976 /nfs/dbraw/zinc/18/39/76/971183976.db2.gz PKHPUGPTPCQQDJ-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1cccs1 ZINC000404842974 971186418 /nfs/dbraw/zinc/18/64/18/971186418.db2.gz CHPDXWHVAMUQDX-MNOVXSKESA-N 1 3 224.373 2.006 20 0 BEADHO CCC(CC)[NH+]1CCC2(CN(C)C2)CC1 ZINC001257303667 971191336 /nfs/dbraw/zinc/19/13/36/971191336.db2.gz RBGHJFZDFNHJGQ-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1ccccc1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405261111 971218720 /nfs/dbraw/zinc/21/87/20/971218720.db2.gz OUNQRHCUZLAVBK-LSDHHAIUSA-N 1 3 244.382 2.397 20 0 BEADHO Cc1ccccc1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405261103 971220965 /nfs/dbraw/zinc/22/09/65/971220965.db2.gz OUNQRHCUZLAVBK-CABCVRRESA-N 1 3 244.382 2.397 20 0 BEADHO CCC[C@H](C)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257327070 971226509 /nfs/dbraw/zinc/22/65/09/971226509.db2.gz GEVPISPEIPQVKA-MELADBBJSA-N 1 3 224.392 2.449 20 0 BEADHO CCC[C@H](C)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257327070 971226518 /nfs/dbraw/zinc/22/65/18/971226518.db2.gz GEVPISPEIPQVKA-MELADBBJSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@](C)(N)C1)c1ccccc1 ZINC000405734538 971300571 /nfs/dbraw/zinc/30/05/71/971300571.db2.gz ACHMGDPWSKJXAF-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@](C)(N)C1)c1ccccc1 ZINC000405734538 971300576 /nfs/dbraw/zinc/30/05/76/971300576.db2.gz ACHMGDPWSKJXAF-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257432806 971339027 /nfs/dbraw/zinc/33/90/27/971339027.db2.gz AIENKDXAUWTTET-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CCOC ZINC000309654802 971723978 /nfs/dbraw/zinc/72/39/78/971723978.db2.gz PHCHBOQBUATWPV-QWHCGFSZSA-N 1 3 230.396 2.121 20 0 BEADHO NC[C@H]1CCCC[N@H+](CCc2ccccc2)C1 ZINC000310220504 971959730 /nfs/dbraw/zinc/95/97/30/971959730.db2.gz FWGSPVCGXUKEPG-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@H]1CCCC[N@@H+](CCc2ccccc2)C1 ZINC000310220504 971959733 /nfs/dbraw/zinc/95/97/33/971959733.db2.gz FWGSPVCGXUKEPG-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO Cc1cc(N[C@@H](N)CCC[NH3+])cc(C)c1C ZINC001170898573 972058906 /nfs/dbraw/zinc/05/89/06/972058906.db2.gz FCURUOHQHXEFII-CYBMUJFWSA-N 1 3 221.348 2.047 20 0 BEADHO Cc1cc(C)c(C)c(N[C@@H](N)CCC[NH3+])c1C ZINC001170899300 972060882 /nfs/dbraw/zinc/06/08/82/972060882.db2.gz AAWYLPXVWFZFBU-CYBMUJFWSA-N 1 3 235.375 2.356 20 0 BEADHO N[C@H](CCC[NH3+])Nc1cccc(C2CCC2)c1 ZINC001170905081 972080322 /nfs/dbraw/zinc/08/03/22/972080322.db2.gz RDTQLGRVVKRWHZ-AWEZNQCLSA-N 1 3 233.359 2.390 20 0 BEADHO CN1CCC=C(c2cccc3c2CC[C@@H]3[NH3+])C1 ZINC001241571244 1169735022 /nfs/dbraw/zinc/73/50/22/1169735022.db2.gz WQDHSPJQCOSTES-HNNXBMFYSA-N 1 3 228.339 2.352 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](N)C2)CC(C)(C)C1 ZINC001246190718 972211647 /nfs/dbraw/zinc/21/16/47/972211647.db2.gz RRESNSRJXWDVKA-WYUUTHIRSA-N 1 3 210.365 2.281 20 0 BEADHO C[N@@H+]1CCC[C@@H](CN2CC3(C2)CCCC3)C1 ZINC001208608174 957094473 /nfs/dbraw/zinc/09/44/73/957094473.db2.gz QYBFPXUGGSZWOB-CYBMUJFWSA-N 1 3 222.376 2.204 20 0 BEADHO C[N@H+]1CCC[C@@H](CN2CC3(C2)CCCC3)C1 ZINC001208608174 957094479 /nfs/dbraw/zinc/09/44/79/957094479.db2.gz QYBFPXUGGSZWOB-CYBMUJFWSA-N 1 3 222.376 2.204 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H]1CCc2c(F)cccc2C1 ZINC001246311418 972273882 /nfs/dbraw/zinc/27/38/82/972273882.db2.gz CLTFSTUHWMKUOE-NEPJUHHUSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CC(F)(F)C3)CCN1 ZINC001246336312 972297492 /nfs/dbraw/zinc/29/74/92/972297492.db2.gz UNWIFSUPZWPXDQ-ZJUUUORDSA-N 1 3 244.329 2.294 20 0 BEADHO C[NH2+]CCC(=O)NCCP(C(C)C)C(C)C ZINC001221254137 972306765 /nfs/dbraw/zinc/30/67/65/972306765.db2.gz GGQGXVDDIFMFPC-UHFFFAOYSA-N 1 3 246.335 2.011 20 0 BEADHO CCCC1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246443016 972316485 /nfs/dbraw/zinc/31/64/85/972316485.db2.gz FPEZFEIOSCOWCC-BPCQOVAHSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246443016 972316489 /nfs/dbraw/zinc/31/64/89/972316489.db2.gz FPEZFEIOSCOWCC-BPCQOVAHSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCNC1)c1cccc(N(C)C)c1 ZINC001246468938 972347963 /nfs/dbraw/zinc/34/79/63/972347963.db2.gz MPPMIYMXAOSVIK-JSGCOSHPSA-N 1 3 247.386 2.155 20 0 BEADHO C[C@@H](Cc1ccccn1)[NH2+]CC[C@H]1CCCN1C ZINC000707961851 958879353 /nfs/dbraw/zinc/87/93/53/958879353.db2.gz VMONDLYLFQKGSE-DZGCQCFKSA-N 1 3 247.386 2.087 20 0 BEADHO CC1(C)CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000393768427 959901577 /nfs/dbraw/zinc/90/15/77/959901577.db2.gz IFJQTQZGHDBUCD-LLVKDONJSA-N 1 3 210.365 2.378 20 0 BEADHO CCCCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708863824 959986232 /nfs/dbraw/zinc/98/62/32/959986232.db2.gz QEWOGKAMTZZMLV-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708863824 959986237 /nfs/dbraw/zinc/98/62/37/959986237.db2.gz QEWOGKAMTZZMLV-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CCN1 ZINC000709358886 960529403 /nfs/dbraw/zinc/52/94/03/960529403.db2.gz WJKHQLLHHHGBOD-KGLIPLIRSA-N 1 3 248.370 2.186 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CCN1 ZINC000709358888 960529553 /nfs/dbraw/zinc/52/95/53/960529553.db2.gz WJKHQLLHHHGBOD-UONOGXRCSA-N 1 3 248.370 2.186 20 0 BEADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000709525821 960633526 /nfs/dbraw/zinc/63/35/26/960633526.db2.gz RTKRSYRGDVFZRW-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000709525821 960633541 /nfs/dbraw/zinc/63/35/41/960633541.db2.gz RTKRSYRGDVFZRW-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cccc(N)n1)C2 ZINC001160468809 964307368 /nfs/dbraw/zinc/30/73/68/964307368.db2.gz HEMLTFNKBNRYME-CNDDSTCGSA-N 1 3 246.358 2.091 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cccc(N)n1)C2 ZINC001160468809 964307382 /nfs/dbraw/zinc/30/73/82/964307382.db2.gz HEMLTFNKBNRYME-CNDDSTCGSA-N 1 3 246.358 2.091 20 0 BEADHO C[NH+](C)C1CCC(N2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001168318772 964434248 /nfs/dbraw/zinc/43/42/48/964434248.db2.gz FMYDRNFXJYHTFC-FDZXDKCCSA-N 1 3 240.366 2.149 20 0 BEADHO CC(C)CCC[NH2+]CC[C@@H](C)N(C)C ZINC000697825489 964548233 /nfs/dbraw/zinc/54/82/33/964548233.db2.gz PBJDXOMPLYHXOW-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000697869427 964594069 /nfs/dbraw/zinc/59/40/69/964594069.db2.gz GXOSROIGSOJFEE-NEPJUHHUSA-N 1 3 200.370 2.351 20 0 BEADHO CCC(CC)C[NH2+]CC[C@@H](C)N(C)C ZINC000697869337 964596923 /nfs/dbraw/zinc/59/69/23/964596923.db2.gz FHQPQDLNYMCFNC-LLVKDONJSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCCC1(C)C)N(C)C ZINC000697877972 964601965 /nfs/dbraw/zinc/60/19/65/964601965.db2.gz GMVAESHAZPAGQG-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1nc2ccc(N[C@@H]3CC[NH2+][C@@H]3C)cc2[nH]1 ZINC001162673044 965104845 /nfs/dbraw/zinc/10/48/45/965104845.db2.gz IIDMIHAXZHNIRW-LDYMZIIASA-N 1 3 230.315 2.034 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](Nc2cccc(N)n2)[C@@H](C)C1 ZINC001163365411 965369770 /nfs/dbraw/zinc/36/97/70/965369770.db2.gz ZVKAJMURYHKZIO-NWDGAFQWSA-N 1 3 248.374 2.195 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](Nc2cccc(N)n2)[C@@H](C)C1 ZINC001163365411 965369778 /nfs/dbraw/zinc/36/97/78/965369778.db2.gz ZVKAJMURYHKZIO-NWDGAFQWSA-N 1 3 248.374 2.195 20 0 BEADHO C[C@H](C[NH3+])CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465693 965812507 /nfs/dbraw/zinc/81/25/07/965812507.db2.gz VGVYVYHVFCXZTQ-NEPJUHHUSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465693 965812510 /nfs/dbraw/zinc/81/25/10/965812510.db2.gz VGVYVYHVFCXZTQ-NEPJUHHUSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465693 965812518 /nfs/dbraw/zinc/81/25/18/965812518.db2.gz VGVYVYHVFCXZTQ-NEPJUHHUSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](C[NH3+])CN(C)[C@H](C)Cc1cccc(F)c1 ZINC001168465699 965812577 /nfs/dbraw/zinc/81/25/77/965812577.db2.gz VGVYVYHVFCXZTQ-VXGBXAGGSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001168465699 965812583 /nfs/dbraw/zinc/81/25/83/965812583.db2.gz VGVYVYHVFCXZTQ-VXGBXAGGSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001168465699 965812589 /nfs/dbraw/zinc/81/25/89/965812589.db2.gz VGVYVYHVFCXZTQ-VXGBXAGGSA-N 1 3 238.350 2.283 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235986367 966198800 /nfs/dbraw/zinc/19/88/00/966198800.db2.gz DSBYZFMHPASKLN-GJZGRUSLSA-N 1 3 230.355 2.172 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235986367 966198816 /nfs/dbraw/zinc/19/88/16/966198816.db2.gz DSBYZFMHPASKLN-GJZGRUSLSA-N 1 3 230.355 2.172 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CCO1 ZINC000715583355 967196213 /nfs/dbraw/zinc/19/62/13/967196213.db2.gz JWTVQZNMMYOURA-RQJABVFESA-N 1 3 240.391 2.016 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204903939 967226974 /nfs/dbraw/zinc/22/69/74/967226974.db2.gz GQHFIQHDLQACGY-CQSZACIVSA-N 1 3 230.355 2.172 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204903939 967226983 /nfs/dbraw/zinc/22/69/83/967226983.db2.gz GQHFIQHDLQACGY-CQSZACIVSA-N 1 3 230.355 2.172 20 0 BEADHO Cc1ccc(CN2CCC[C@@H]([NH3+])CC2)s1 ZINC001205093912 967339890 /nfs/dbraw/zinc/33/98/90/967339890.db2.gz HXPDJKGPSVYQRY-LLVKDONJSA-N 1 3 224.373 2.370 20 0 BEADHO CC1(C)C[C@@H](C[N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001205088990 967342600 /nfs/dbraw/zinc/34/26/00/967342600.db2.gz VABXLTBZTJSZLW-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@@H](C[N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001205088990 967342609 /nfs/dbraw/zinc/34/26/09/967342609.db2.gz VABXLTBZTJSZLW-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CN(C)c1cccc(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205109479 967352060 /nfs/dbraw/zinc/35/20/60/967352060.db2.gz GYHMZXWCVOAAAY-AWEZNQCLSA-N 1 3 247.386 2.066 20 0 BEADHO Cc1cccc(CC[N@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC001205131395 967374266 /nfs/dbraw/zinc/37/42/66/967374266.db2.gz XTMKCRYYMXINTQ-DZGCQCFKSA-N 1 3 232.371 2.064 20 0 BEADHO Cc1cccc(CC[N@@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC001205131395 967374277 /nfs/dbraw/zinc/37/42/77/967374277.db2.gz XTMKCRYYMXINTQ-DZGCQCFKSA-N 1 3 232.371 2.064 20 0 BEADHO Cc1cccc(CCN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205131395 967374290 /nfs/dbraw/zinc/37/42/90/967374290.db2.gz XTMKCRYYMXINTQ-DZGCQCFKSA-N 1 3 232.371 2.064 20 0 BEADHO COc1cc(C)cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205140918 967389635 /nfs/dbraw/zinc/38/96/35/967389635.db2.gz RRTSHHQOKHOFNM-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO Cc1c(O)cccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205280897 967472471 /nfs/dbraw/zinc/47/24/71/967472471.db2.gz LGUZZPCNHRESSR-HNNXBMFYSA-N 1 3 248.370 2.404 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1CN ZINC001205297122 967495730 /nfs/dbraw/zinc/49/57/30/967495730.db2.gz ZKBTVZOWGRVMSJ-SEBNEYGDSA-N 1 3 234.387 2.115 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1CN ZINC001205297122 967495732 /nfs/dbraw/zinc/49/57/32/967495732.db2.gz ZKBTVZOWGRVMSJ-SEBNEYGDSA-N 1 3 234.387 2.115 20 0 BEADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901802 967876285 /nfs/dbraw/zinc/87/62/85/967876285.db2.gz GJODZEHNHGRGSI-KHMAMNHCSA-N 1 3 234.387 2.258 20 0 BEADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901802 967876286 /nfs/dbraw/zinc/87/62/86/967876286.db2.gz GJODZEHNHGRGSI-KHMAMNHCSA-N 1 3 234.387 2.258 20 0 BEADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901957 967876639 /nfs/dbraw/zinc/87/66/39/967876639.db2.gz GJODZEHNHGRGSI-SEBNEYGDSA-N 1 3 234.387 2.258 20 0 BEADHO C[C@@H]1[C@H](CN)CCC[N@H+]1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901957 967876640 /nfs/dbraw/zinc/87/66/40/967876640.db2.gz GJODZEHNHGRGSI-SEBNEYGDSA-N 1 3 234.387 2.258 20 0 BEADHO Cc1c2[nH]c(C3CC[NH2+]CC3)nc2ccc1F ZINC001250548942 968054581 /nfs/dbraw/zinc/05/45/81/968054581.db2.gz MSOCLIREMLZAGM-UHFFFAOYSA-N 1 3 233.290 2.477 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cs1 ZINC001206214219 968148546 /nfs/dbraw/zinc/14/85/46/968148546.db2.gz XWTCNWDLLMULDH-RYUDHWBXSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cs1 ZINC001206214219 968148551 /nfs/dbraw/zinc/14/85/51/968148551.db2.gz XWTCNWDLLMULDH-RYUDHWBXSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1cccc(CC[N@H+]2CCCNC[C@@H]2C)c1 ZINC001206257399 968176241 /nfs/dbraw/zinc/17/62/41/968176241.db2.gz CYBCFEWKXNOMLP-AWEZNQCLSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1cccc(CC[N@@H+]2CCCNC[C@@H]2C)c1 ZINC001206257399 968176243 /nfs/dbraw/zinc/17/62/43/968176243.db2.gz CYBCFEWKXNOMLP-AWEZNQCLSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1cccc(C[N@H+]2CCCNC[C@@H]2C)c1C ZINC001206257922 968177121 /nfs/dbraw/zinc/17/71/21/968177121.db2.gz MXCKMUKSOKSIAS-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@@H+]2CCCNC[C@@H]2C)c1C ZINC001206257922 968177128 /nfs/dbraw/zinc/17/71/28/968177128.db2.gz MXCKMUKSOKSIAS-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO [NH3+][C@H]1CCN(c2ccncc2-c2ccccc2)C1 ZINC001164281619 968212900 /nfs/dbraw/zinc/21/29/00/968212900.db2.gz INTQEILGRWUSKM-ZDUSSCGKSA-N 1 3 239.322 2.286 20 0 BEADHO CS[C@@H](C)CC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206607239 968416132 /nfs/dbraw/zinc/41/61/32/968416132.db2.gz YMELJOVYBPPQPE-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CS[C@@H](C)CC[N@H+]1CCCC[C@H](CN)C1 ZINC001206607239 968416137 /nfs/dbraw/zinc/41/61/37/968416137.db2.gz YMELJOVYBPPQPE-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO Cc1cc(C)c(CN2CCCC[C@H](C[NH3+])C2)[nH]1 ZINC001206616965 968420474 /nfs/dbraw/zinc/42/04/74/968420474.db2.gz VKOLIZUDBQOMJL-CYBMUJFWSA-N 1 3 235.375 2.192 20 0 BEADHO C[NH+]1CCC(C)(CN2CCC[C@@H](F)C2)CC1 ZINC001208105798 968999554 /nfs/dbraw/zinc/99/95/54/968999554.db2.gz CMCKHKSJVDRPII-GFCCVEGCSA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158125 /nfs/dbraw/zinc/15/81/25/969158125.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC[C@H](C[N@H+]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158127 /nfs/dbraw/zinc/15/81/27/969158127.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158131 /nfs/dbraw/zinc/15/81/31/969158131.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3CCC[C@H]3C2)C1 ZINC001208605175 969158133 /nfs/dbraw/zinc/15/81/33/969158133.db2.gz AJMCXDZMFNZIRN-KKUMJFAQSA-N 1 3 236.403 2.450 20 0 BEADHO CN(C1CC1)C1CC[NH+](CCC2CC2)CC1 ZINC001208688055 969194814 /nfs/dbraw/zinc/19/48/14/969194814.db2.gz JLJGDODVFSSNQE-UHFFFAOYSA-N 1 3 222.376 2.345 20 0 BEADHO CCCCC[C@@H](O)C[NH2+]CCCN1CCCC1 ZINC001253517121 969196105 /nfs/dbraw/zinc/19/61/05/969196105.db2.gz DLGOXIFNOPQFCQ-CQSZACIVSA-N 1 3 242.407 2.003 20 0 BEADHO CCCCC[C@@H](O)CNCCC[NH+]1CCCC1 ZINC001253517121 969196107 /nfs/dbraw/zinc/19/61/07/969196107.db2.gz DLGOXIFNOPQFCQ-CQSZACIVSA-N 1 3 242.407 2.003 20 0 BEADHO CCCCC[C@H](O)C[NH2+]CC[C@@H]1CCCN1C ZINC001253553905 969227936 /nfs/dbraw/zinc/22/79/36/969227936.db2.gz MTKVHLYBRXWDLQ-KBPBESRZSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@H](O)CNCC[C@@H]1CCC[N@@H+]1C ZINC001253553905 969227943 /nfs/dbraw/zinc/22/79/43/969227943.db2.gz MTKVHLYBRXWDLQ-KBPBESRZSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@H](O)CNCC[C@@H]1CCC[N@H+]1C ZINC001253553905 969227954 /nfs/dbraw/zinc/22/79/54/969227954.db2.gz MTKVHLYBRXWDLQ-KBPBESRZSA-N 1 3 242.407 2.002 20 0 BEADHO c1ccc(CN2CC[C@@H](C[NH+]3CCC3)C2)cc1 ZINC001208947515 969312655 /nfs/dbraw/zinc/31/26/55/969312655.db2.gz LMYGICLKKTUERM-HNNXBMFYSA-N 1 3 230.355 2.214 20 0 BEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1ccco1)C2 ZINC001169096148 969383955 /nfs/dbraw/zinc/38/39/55/969383955.db2.gz UVOLIJQRSSMGBW-XYYAHUGASA-N 1 3 234.343 2.037 20 0 BEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1ccco1)C2 ZINC001169096148 969383962 /nfs/dbraw/zinc/38/39/62/969383962.db2.gz UVOLIJQRSSMGBW-XYYAHUGASA-N 1 3 234.343 2.037 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(O)cc1)C2 ZINC001169093102 969385804 /nfs/dbraw/zinc/38/58/04/969385804.db2.gz FNZMGBHQZOKQKP-ZSOGYDGISA-N 1 3 246.354 2.107 20 0 BEADHO Cc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169093049 969387207 /nfs/dbraw/zinc/38/72/07/969387207.db2.gz FIGGPXKAFISTLS-QKDCVEJESA-N 1 3 245.370 2.105 20 0 BEADHO C[C@@H](CN)C[N@H+](C)C1CCc2ccccc2CC1 ZINC001254454866 969642920 /nfs/dbraw/zinc/64/29/20/969642920.db2.gz JCHPOKAHKOPQIB-ZDUSSCGKSA-N 1 3 246.398 2.461 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)C1CCc2ccccc2CC1 ZINC001254454866 969642930 /nfs/dbraw/zinc/64/29/30/969642930.db2.gz JCHPOKAHKOPQIB-ZDUSSCGKSA-N 1 3 246.398 2.461 20 0 BEADHO CCC[C@H](CCc1ccccc1)N[C@@H]1C[C@H]1[NH3+] ZINC001254488404 969653460 /nfs/dbraw/zinc/65/34/60/969653460.db2.gz VMYCLMGQPYDMMT-RBSFLKMASA-N 1 3 232.371 2.477 20 0 BEADHO CN(CCc1cccnc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525447 969719743 /nfs/dbraw/zinc/71/97/43/969719743.db2.gz ISMBUIRCJDXTGJ-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO CN(CCc1cccnc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525447 969719756 /nfs/dbraw/zinc/71/97/56/969719756.db2.gz ISMBUIRCJDXTGJ-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccc(C[N@@H+]2CCN[C@@H](C)CC2)c1C ZINC001210474645 969900804 /nfs/dbraw/zinc/90/08/04/969900804.db2.gz HPBXFZIOXJCNHE-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@H+]2CCN[C@@H](C)CC2)c1C ZINC001210474645 969900812 /nfs/dbraw/zinc/90/08/12/969900812.db2.gz HPBXFZIOXJCNHE-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCN[C@H](C)CC2)c1 ZINC001210474600 969901059 /nfs/dbraw/zinc/90/10/59/969901059.db2.gz GXGPJABIAJDXBQ-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCN[C@H](C)CC2)c1 ZINC001210474600 969901066 /nfs/dbraw/zinc/90/10/66/969901066.db2.gz GXGPJABIAJDXBQ-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO COC[C@H](C)NC1CC[NH+](CC(C)(C)C)CC1 ZINC001255563661 970350857 /nfs/dbraw/zinc/35/08/57/970350857.db2.gz WURNQLMUCPSGAG-LBPRGKRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCCC[NH+]1CCC(N(C)[C@H](C)COC)CC1 ZINC001255577375 970375595 /nfs/dbraw/zinc/37/55/95/970375595.db2.gz FXVLNILSEYPAQW-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO Cc1ccc(C[C@@H](C)NC2CC([NH3+])C2)cc1 ZINC001255780815 970482355 /nfs/dbraw/zinc/48/23/55/970482355.db2.gz RTZDSBHICNGBKI-LMWSTFAQSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001255780815 970482360 /nfs/dbraw/zinc/48/23/60/970482360.db2.gz RTZDSBHICNGBKI-LMWSTFAQSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](C)CN)cc1 ZINC001255779299 970482719 /nfs/dbraw/zinc/48/27/19/970482719.db2.gz AJKQLQDAHTULCW-ZIAGYGMSSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](C)CN)cc1 ZINC001255779299 970482724 /nfs/dbraw/zinc/48/27/24/970482724.db2.gz AJKQLQDAHTULCW-ZIAGYGMSSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@@H](C)N(C)C[C@H](C)C[NH3+])cc1 ZINC001255779299 970482731 /nfs/dbraw/zinc/48/27/31/970482731.db2.gz AJKQLQDAHTULCW-ZIAGYGMSSA-N 1 3 234.387 2.453 20 0 BEADHO CN[C@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138105 970554719 /nfs/dbraw/zinc/55/47/19/970554719.db2.gz YUCYAQHPUGPFSG-HOAMVYINSA-N 1 3 222.376 2.106 20 0 BEADHO CN[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138105 970554729 /nfs/dbraw/zinc/55/47/29/970554729.db2.gz YUCYAQHPUGPFSG-HOAMVYINSA-N 1 3 222.376 2.106 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@@H](F)C1 ZINC001255942257 970564056 /nfs/dbraw/zinc/56/40/56/970564056.db2.gz DWCNAPJHOLCWNE-SDDRHHMPSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](F)C1 ZINC001255942257 970564065 /nfs/dbraw/zinc/56/40/65/970564065.db2.gz DWCNAPJHOLCWNE-SDDRHHMPSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC=CC1 ZINC001255940375 970573098 /nfs/dbraw/zinc/57/30/98/970573098.db2.gz AWICQJLPAFJXKC-GFCCVEGCSA-N 1 3 210.365 2.415 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](CO)C(C)(C)C ZINC001255947672 970581414 /nfs/dbraw/zinc/58/14/14/970581414.db2.gz UVDMRBHYYKVLAL-STQMWFEESA-N 1 3 244.423 2.103 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](CO)C(C)(C)C ZINC001255947672 970581431 /nfs/dbraw/zinc/58/14/31/970581431.db2.gz UVDMRBHYYKVLAL-STQMWFEESA-N 1 3 244.423 2.103 20 0 BEADHO C[NH+]1CCC(N2CCCC[C@](C)(F)C2)CC1 ZINC001256202326 970701499 /nfs/dbraw/zinc/70/14/99/970701499.db2.gz DGDBKVWGFMQDDX-ZDUSSCGKSA-N 1 3 228.355 2.295 20 0 BEADHO C[C@@H](CC1CC1)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560395 972792500 /nfs/dbraw/zinc/79/25/00/972792500.db2.gz ULPMPFLRVLILIC-GXSJLCMTSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@@H]([NH+]2CC3(CNC3)C2)CC(C)(C)C1 ZINC001246612096 973031697 /nfs/dbraw/zinc/03/16/97/973031697.db2.gz FKRKSSUGXRYANH-VXGBXAGGSA-N 1 3 222.376 2.106 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C)NC1 ZINC001246810619 973110038 /nfs/dbraw/zinc/11/00/38/973110038.db2.gz PKQAUCABJYPPAP-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C)NC1 ZINC001246810619 973110055 /nfs/dbraw/zinc/11/00/55/973110055.db2.gz PKQAUCABJYPPAP-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO CC1(C)CCC([N@H+]2C[C@H]3CNCC[C@@H]3C2)CC1 ZINC001246846540 973149332 /nfs/dbraw/zinc/14/93/32/973149332.db2.gz OOBXKTQTQUVPOR-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@@H+]2C[C@H]3CNCC[C@@H]3C2)CC1 ZINC001246846540 973149347 /nfs/dbraw/zinc/14/93/47/973149347.db2.gz OOBXKTQTQUVPOR-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@@H+]2C[C@H]3CCNC[C@H]3C2)CC1 ZINC001246846542 973152511 /nfs/dbraw/zinc/15/25/11/973152511.db2.gz OOBXKTQTQUVPOR-OLZOCXBDSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@H+]2C[C@H]3CCNC[C@H]3C2)CC1 ZINC001246846542 973152528 /nfs/dbraw/zinc/15/25/28/973152528.db2.gz OOBXKTQTQUVPOR-OLZOCXBDSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2(C)CC(F)(F)C2)CCN1 ZINC000720921529 973635538 /nfs/dbraw/zinc/63/55/38/973635538.db2.gz CTDCGGVNXWTWDL-VHSXEESVSA-N 1 3 232.318 2.152 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171773396 974157923 /nfs/dbraw/zinc/15/79/23/974157923.db2.gz KMKDATUIJBEPIS-YNEHKIRRSA-N 1 3 248.345 2.152 20 0 BEADHO C[C@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098431 974340778 /nfs/dbraw/zinc/34/07/78/974340778.db2.gz DWPHZWXIDWHONC-WUHRBBMRSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098431 974340784 /nfs/dbraw/zinc/34/07/84/974340784.db2.gz DWPHZWXIDWHONC-WUHRBBMRSA-N 1 3 248.374 2.091 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC(F)(F)C1)C2 ZINC001172099708 974345427 /nfs/dbraw/zinc/34/54/27/974345427.db2.gz MZDBRYBHXJEXNJ-WLLOZRIZSA-N 1 3 244.329 2.389 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CC(F)(F)C1)C2 ZINC001172099708 974345438 /nfs/dbraw/zinc/34/54/38/974345438.db2.gz MZDBRYBHXJEXNJ-WLLOZRIZSA-N 1 3 244.329 2.389 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)CCC1)C2 ZINC001172107767 974364097 /nfs/dbraw/zinc/36/40/97/974364097.db2.gz BXFKATZVSGUJSB-CLLJXQQHSA-N 1 3 240.366 2.484 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3)[C@H]2C1 ZINC001204089097 974864763 /nfs/dbraw/zinc/86/47/63/974864763.db2.gz KSBIZZKVSZCIAG-SOUVJXGZSA-N 1 3 230.355 2.116 20 0 BEADHO [NH3+]CC1(N[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172557022 974870886 /nfs/dbraw/zinc/87/08/86/974870886.db2.gz NZYXVUSHAXNHRU-ZIAGYGMSSA-N 1 3 230.355 2.404 20 0 BEADHO c1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC001336398632 977661100 /nfs/dbraw/zinc/66/11/00/977661100.db2.gz DFQKPXMMELMTBW-AWEZNQCLSA-N 1 3 245.370 2.322 20 0 BEADHO c1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC001336398632 977661105 /nfs/dbraw/zinc/66/11/05/977661105.db2.gz DFQKPXMMELMTBW-AWEZNQCLSA-N 1 3 245.370 2.322 20 0 BEADHO C[N@@H+](Cc1cc2cnccc2[nH]1)CC1CC1 ZINC001232012370 977839715 /nfs/dbraw/zinc/83/97/15/977839715.db2.gz ZTXRPTWXCWWQPJ-UHFFFAOYSA-N 1 3 215.300 2.405 20 0 BEADHO C[N@H+](Cc1cc2cnccc2[nH]1)CC1CC1 ZINC001232012370 977839721 /nfs/dbraw/zinc/83/97/21/977839721.db2.gz ZTXRPTWXCWWQPJ-UHFFFAOYSA-N 1 3 215.300 2.405 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC001179818644 978760549 /nfs/dbraw/zinc/76/05/49/978760549.db2.gz ZFHBCDFYJIVSTM-ARFHVFGLSA-N 1 3 244.382 2.425 20 0 BEADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CCC3(CNC3)C2)CC1 ZINC001235023999 978955116 /nfs/dbraw/zinc/95/51/16/978955116.db2.gz JGHYLWARNPBBDX-KGLIPLIRSA-N 1 3 234.387 2.274 20 0 BEADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CCC3(CNC3)C2)CC1 ZINC001235023999 978955123 /nfs/dbraw/zinc/95/51/23/978955123.db2.gz JGHYLWARNPBBDX-KGLIPLIRSA-N 1 3 234.387 2.274 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235144957 978981122 /nfs/dbraw/zinc/98/11/22/978981122.db2.gz AHCRIRIUADXJGE-CRWXNKLISA-N 1 3 220.360 2.012 20 0 BEADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210540 978999066 /nfs/dbraw/zinc/99/90/66/978999066.db2.gz LUBSBRGFOTUZPH-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210540 978999072 /nfs/dbraw/zinc/99/90/72/978999072.db2.gz LUBSBRGFOTUZPH-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CNCC[C@@H]32)CC1 ZINC001235256774 979012124 /nfs/dbraw/zinc/01/21/24/979012124.db2.gz GQMUBVNKTKODFG-XQLPTFJDSA-N 1 3 234.387 2.273 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CNCC[C@@H]32)CC1 ZINC001235256774 979012128 /nfs/dbraw/zinc/01/21/28/979012128.db2.gz GQMUBVNKTKODFG-XQLPTFJDSA-N 1 3 234.387 2.273 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCCC2(CNC2)C1 ZINC001235710846 979130075 /nfs/dbraw/zinc/13/00/75/979130075.db2.gz HVEMWOQZNXPAGB-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCCC2(CNC2)C1 ZINC001235710846 979130080 /nfs/dbraw/zinc/13/00/80/979130080.db2.gz HVEMWOQZNXPAGB-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@H](C)CN1CCCC2(C[NH2+]C2)C1 ZINC001235710846 979130089 /nfs/dbraw/zinc/13/00/89/979130089.db2.gz HVEMWOQZNXPAGB-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1cccc(CC[N@@H+]2C[C@H](C)C[C@@H](N)C2)c1 ZINC001236044585 979336754 /nfs/dbraw/zinc/33/67/54/979336754.db2.gz OLRMKALKCOACIG-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1cccc(CC[N@H+]2C[C@H](C)C[C@@H](N)C2)c1 ZINC001236044585 979336766 /nfs/dbraw/zinc/33/67/66/979336766.db2.gz OLRMKALKCOACIG-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1cccc(CC[N@@H+]2C[C@@H](C)C[C@H](N)C2)c1 ZINC001236044586 979339192 /nfs/dbraw/zinc/33/91/92/979339192.db2.gz OLRMKALKCOACIG-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1cccc(CC[N@H+]2C[C@@H](C)C[C@H](N)C2)c1 ZINC001236044586 979339200 /nfs/dbraw/zinc/33/92/00/979339200.db2.gz OLRMKALKCOACIG-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H]1C[N@H+](Cc2cccc3c2CCC3)CCCN1 ZINC001236101864 979387305 /nfs/dbraw/zinc/38/73/05/979387305.db2.gz ZZUHEZATNCCBTH-ZDUSSCGKSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CCCN1 ZINC001236101864 979387315 /nfs/dbraw/zinc/38/73/15/979387315.db2.gz ZZUHEZATNCCBTH-ZDUSSCGKSA-N 1 3 244.382 2.359 20 0 BEADHO NC[C@H]1CCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC001236242979 979464825 /nfs/dbraw/zinc/46/48/25/979464825.db2.gz RAPPTEAZCPTNGY-CYBMUJFWSA-N 1 3 229.327 2.091 20 0 BEADHO NC[C@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC001236242979 979464829 /nfs/dbraw/zinc/46/48/29/979464829.db2.gz RAPPTEAZCPTNGY-CYBMUJFWSA-N 1 3 229.327 2.091 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236411236 979588038 /nfs/dbraw/zinc/58/80/38/979588038.db2.gz NAWMFYRYEWIQCV-XPABHHOTSA-N 1 3 234.387 2.128 20 0 BEADHO COc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205265172 979821881 /nfs/dbraw/zinc/82/18/81/979821881.db2.gz OAGLBVPCJSDTEP-OAHLLOKOSA-N 1 3 248.370 2.399 20 0 BEADHO CNc1ccccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205280681 979875338 /nfs/dbraw/zinc/87/53/38/979875338.db2.gz FUNIIQSFSPIKRP-HNNXBMFYSA-N 1 3 247.386 2.432 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184386309 980058868 /nfs/dbraw/zinc/05/88/68/980058868.db2.gz BRKGZNJAWKPDFQ-ODXJTPSBSA-N 1 3 224.392 2.351 20 0 BEADHO Cc1ccc(C[N@H+]2CCNCC[C@@H]2C)c(C)c1 ZINC001205325957 980195713 /nfs/dbraw/zinc/19/57/13/980195713.db2.gz SINPSFUUTVPWCI-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C[N@@H+]2CCNCC[C@@H]2C)c(C)c1 ZINC001205325957 980195715 /nfs/dbraw/zinc/19/57/15/980195715.db2.gz SINPSFUUTVPWCI-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO c1cc(C2=CCC[NH2+]C2)ccc1CN1CCC1 ZINC001240670214 981579543 /nfs/dbraw/zinc/57/95/43/981579543.db2.gz YNHLFWLUYWLGRA-UHFFFAOYSA-N 1 3 228.339 2.269 20 0 BEADHO COc1ccc(C2=CCC[NH2+]C2)c(CN(C)C)c1 ZINC001240670966 981582117 /nfs/dbraw/zinc/58/21/17/981582117.db2.gz PPGNOVBHZQIZAE-UHFFFAOYSA-N 1 3 246.354 2.134 20 0 BEADHO CN1CC=C(c2ccc3c(c2)C[NH2+]C3)CC1 ZINC001241322307 982482648 /nfs/dbraw/zinc/48/26/48/982482648.db2.gz LRAGCKYQDQFPMV-UHFFFAOYSA-N 1 3 214.312 2.009 20 0 BEADHO CN(C)Cc1cccc(-c2ccc(C[NH3+])cc2)n1 ZINC001241913479 983130776 /nfs/dbraw/zinc/13/07/76/983130776.db2.gz XOFUOTJZGWUKSC-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO Cn1ccnc1Nc1cccc(C[NH+](C)C)c1 ZINC001201384754 983212612 /nfs/dbraw/zinc/21/26/12/983212612.db2.gz POTVTGMSTRAPGH-UHFFFAOYSA-N 1 3 230.315 2.225 20 0 BEADHO CCCC[C@@H](O)CNC1CC[NH+](CCC)CC1 ZINC001252107177 983672525 /nfs/dbraw/zinc/67/25/25/983672525.db2.gz GDVMYENAMQCPCJ-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576647942 984179286 /nfs/dbraw/zinc/17/92/86/984179286.db2.gz VPPVAFJXEUYUTN-WISYIIOYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@H]1CNC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849013 984184426 /nfs/dbraw/zinc/18/44/26/984184426.db2.gz AARZDIBUAXYBMX-DGCLKSJQSA-N 1 3 243.354 2.256 20 0 BEADHO C[C@@H]1CNC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849012 984185119 /nfs/dbraw/zinc/18/51/19/984185119.db2.gz AARZDIBUAXYBMX-AAEUAGOBSA-N 1 3 243.354 2.256 20 0 BEADHO C[C@H]1CNC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849015 984185646 /nfs/dbraw/zinc/18/56/46/984185646.db2.gz AARZDIBUAXYBMX-YPMHNXCESA-N 1 3 243.354 2.256 20 0 BEADHO C1=C(c2cc(CN3CCCCC3)ccn2)C[NH2+]C1 ZINC001243109691 984565939 /nfs/dbraw/zinc/56/59/39/984565939.db2.gz FEANMTUWWXFSIL-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO c1ccc([C@@H]2C[C@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC001580891710 984622935 /nfs/dbraw/zinc/62/29/35/984622935.db2.gz FFTUGPSODQRQTR-QRJUGERDSA-N 1 3 242.366 2.273 20 0 BEADHO CCOc1ccc(CN[C@H](C)CC[NH3+])c(C)c1 ZINC001578179330 984866796 /nfs/dbraw/zinc/86/67/96/984866796.db2.gz CEQRWANERFMWEB-GFCCVEGCSA-N 1 3 236.359 2.221 20 0 BEADHO C[N@H+](CCCN)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001578466473 985100181 /nfs/dbraw/zinc/10/01/81/985100181.db2.gz OERWNFQHXZDKSS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@@H+](CCCN)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001578466473 985100198 /nfs/dbraw/zinc/10/01/98/985100198.db2.gz OERWNFQHXZDKSS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCc2ccccc2C1 ZINC001578687338 985298053 /nfs/dbraw/zinc/29/80/53/985298053.db2.gz JLNAXIPBKQELBK-AWEZNQCLSA-N 1 3 246.398 2.333 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)CCSC ZINC001258198113 985593492 /nfs/dbraw/zinc/59/34/92/985593492.db2.gz FZXPPNGKFDXSEN-GFCCVEGCSA-N 1 3 232.437 2.450 20 0 BEADHO CSCCCCC[NH2+]C[C@]1(C)CCCNC1 ZINC001579371367 985863561 /nfs/dbraw/zinc/86/35/61/985863561.db2.gz FNUAUKVDMKUZDG-ZDUSSCGKSA-N 1 3 244.448 2.499 20 0 BEADHO CSCCCCC[NH2+]C[C@@]1(C)CCCNC1 ZINC001579371366 985865482 /nfs/dbraw/zinc/86/54/82/985865482.db2.gz FNUAUKVDMKUZDG-CYBMUJFWSA-N 1 3 244.448 2.499 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](N)C2)cc1C ZINC001579687746 986179667 /nfs/dbraw/zinc/17/96/67/986179667.db2.gz OAKHGOVXTYWFTO-UKRRQHHQSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](N)C2)cc1C ZINC001579687746 986179700 /nfs/dbraw/zinc/17/97/00/986179700.db2.gz OAKHGOVXTYWFTO-UKRRQHHQSA-N 1 3 232.371 2.125 20 0 BEADHO C[C@@]1(C[N@@H+]2CCC[C@@H](CCF)C2)CCCNC1 ZINC000689421677 986582911 /nfs/dbraw/zinc/58/29/11/986582911.db2.gz MGZCUYDGDYBFFS-UONOGXRCSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@@]1(C[N@H+]2CCC[C@@H](CCF)C2)CCCNC1 ZINC000689421677 986582928 /nfs/dbraw/zinc/58/29/28/986582928.db2.gz MGZCUYDGDYBFFS-UONOGXRCSA-N 1 3 242.382 2.448 20 0 BEADHO N[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001580429943 986848286 /nfs/dbraw/zinc/84/82/86/986848286.db2.gz CCEMIIRQNZAJGR-ILCXDJLASA-N 1 3 236.281 2.187 20 0 BEADHO NC1CC([NH2+]CCCC2CCCCC2)C1 ZINC000694053777 987319971 /nfs/dbraw/zinc/31/99/71/987319971.db2.gz RXLCUPLHFBJNFI-UHFFFAOYSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H]1[C@H](C)SCCN1C[C@H]1CCCC[NH2+]C1 ZINC000697058706 987348720 /nfs/dbraw/zinc/34/87/20/987348720.db2.gz TYRWPJPVOHUGDB-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246080750 987377001 /nfs/dbraw/zinc/37/70/01/987377001.db2.gz JQASRWZKMWPGNU-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1CC[C@H](N[C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[NH2+]1 ZINC001246084565 987379851 /nfs/dbraw/zinc/37/98/51/987379851.db2.gz KSNSRTQGHCKYGI-NWBUJAPZSA-N 1 3 222.376 2.151 20 0 BEADHO C[C@H]1CC[C@H](N[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[NH2+]1 ZINC001246084568 987379910 /nfs/dbraw/zinc/37/99/10/987379910.db2.gz KSNSRTQGHCKYGI-PJSNJIKXSA-N 1 3 222.376 2.151 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)[NH2+]C1 ZINC001246102751 987429732 /nfs/dbraw/zinc/42/97/32/987429732.db2.gz FIBOXGMJDLBSFE-KSTCHIGDSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1CC[C@@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246104956 987432518 /nfs/dbraw/zinc/43/25/18/987432518.db2.gz KZAGOGYIDFBJGB-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CC[C@@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246104965 987434809 /nfs/dbraw/zinc/43/48/09/987434809.db2.gz KZAGOGYIDFBJGB-UMSGYPCISA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246127897 987477675 /nfs/dbraw/zinc/47/76/75/987477675.db2.gz CMIUNLFFJBWNMI-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H](CC(C)C)[NH2+][C@H]1CNCC12CC2 ZINC001246132904 987485307 /nfs/dbraw/zinc/48/53/07/987485307.db2.gz NGDGHAAUPZMWDP-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246134712 987490809 /nfs/dbraw/zinc/49/08/09/987490809.db2.gz RWFZNQAVCXCNFI-GFCCVEGCSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246151077 987513582 /nfs/dbraw/zinc/51/35/82/987513582.db2.gz VXDHFRHQBWDDPM-DGTMBMJNSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H]2c2ccccc2)CC[NH2+]1 ZINC001246210778 987605628 /nfs/dbraw/zinc/60/56/28/987605628.db2.gz KHETVUGRBYWJAI-BEAPCOKYSA-N 1 3 230.355 2.273 20 0 BEADHO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246230734 987629503 /nfs/dbraw/zinc/62/95/03/987629503.db2.gz LLTSJXCPBKRQKN-YNEHKIRRSA-N 1 3 242.407 2.046 20 0 BEADHO Cc1ccnc(CCC[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC001246241427 987642176 /nfs/dbraw/zinc/64/21/76/987642176.db2.gz RCACJZGTGMXVLC-HIFRSBDPSA-N 1 3 247.386 2.053 20 0 BEADHO c1[nH]c2ccccc2c1CN[C@H]1CCC[NH2+]CC1 ZINC001246242722 987646746 /nfs/dbraw/zinc/64/67/46/987646746.db2.gz GXSKFCNURLXKLO-ZDUSSCGKSA-N 1 3 243.354 2.400 20 0 BEADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283662 987679313 /nfs/dbraw/zinc/67/93/13/987679313.db2.gz XENXYSUKPLCSPY-FBUXBERBSA-N 1 3 248.345 2.412 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(N)cc1 ZINC001246291273 987683787 /nfs/dbraw/zinc/68/37/87/987683787.db2.gz TUHWTVFAMJHBHK-UHIISALHSA-N 1 3 233.359 2.060 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)Cc1cccc(F)c1 ZINC001246312080 987711190 /nfs/dbraw/zinc/71/11/90/987711190.db2.gz FMTMYPLYEAMTAA-MFKMUULPSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]1CC[C@@H](NCCCCCCCCO)C[NH2+]1 ZINC001246345048 987752858 /nfs/dbraw/zinc/75/28/58/987752858.db2.gz VACOVGSNOTYDHN-ZIAGYGMSSA-N 1 3 242.407 2.049 20 0 BEADHO CCCC1([NH2+][C@H]2CCN[C@@H](C)C2)CCC1 ZINC001246390654 987780347 /nfs/dbraw/zinc/78/03/47/987780347.db2.gz YJWHDOPHOYMPIW-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO c1ccc2c(c1)CC[C@H](CN[C@H]1CCC[NH2+]C1)C2 ZINC001246397890 987783320 /nfs/dbraw/zinc/78/33/20/987783320.db2.gz UQFOYCUPFLFKKB-BBRMVZONSA-N 1 3 244.382 2.133 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CCN1 ZINC001246421633 987793659 /nfs/dbraw/zinc/79/36/59/987793659.db2.gz SGSGQUMGIHZLLZ-SNPRPXQTSA-N 1 3 244.382 2.447 20 0 BEADHO C[C@H]1CC[C@@H](NCC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429664 987794744 /nfs/dbraw/zinc/79/47/44/987794744.db2.gz CGQMDKXYECRAEE-WCQYABFASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CCN1 ZINC001246421635 987795446 /nfs/dbraw/zinc/79/54/46/987795446.db2.gz SGSGQUMGIHZLLZ-YUELXQCFSA-N 1 3 244.382 2.447 20 0 BEADHO C[C@@H]1CC[C@H](NCC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429665 987796240 /nfs/dbraw/zinc/79/62/40/987796240.db2.gz CGQMDKXYECRAEE-YPMHNXCESA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]C1CCNCC1)C2(C)C ZINC001246445329 987803677 /nfs/dbraw/zinc/80/36/77/987803677.db2.gz WYKIFZHYWSZNHX-CDGCEXEKSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CNC3)CC(C)(C)C1 ZINC001246446372 987804779 /nfs/dbraw/zinc/80/47/79/987804779.db2.gz RVUOZNJFFHKOGN-GRYCIOLGSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CCC[C@@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246457779 987816933 /nfs/dbraw/zinc/81/69/33/987816933.db2.gz UZIRCVZKLSUEEQ-YNEHKIRRSA-N 1 3 210.365 2.297 20 0 BEADHO CCC1CCC([NH2+][C@H]2C[C@H](NC)C2)CC1 ZINC001246459838 987817012 /nfs/dbraw/zinc/81/70/12/987817012.db2.gz HAYOPRSBKSANRZ-VNOJIWKOSA-N 1 3 210.365 2.295 20 0 BEADHO CCC1CCC([NH2+][C@H]2C[C@@H](NC)C2)CC1 ZINC001246494010 987846828 /nfs/dbraw/zinc/84/68/28/987846828.db2.gz HAYOPRSBKSANRZ-BPNZPQAUSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C)CC(CN[C@H]2CCCC[NH2+]C2)C1 ZINC001246496174 987850235 /nfs/dbraw/zinc/85/02/35/987850235.db2.gz DCFWNGXHPQANRI-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001246494793 987850332 /nfs/dbraw/zinc/85/03/32/987850332.db2.gz HTBLJIUNSHFWBL-MRBYEJRBSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]1CC[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499045 987852088 /nfs/dbraw/zinc/85/20/88/987852088.db2.gz RPGQDVYIJKLATB-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1CC[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499043 987853436 /nfs/dbraw/zinc/85/34/36/987853436.db2.gz RPGQDVYIJKLATB-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCCC[C@H](C)N1CCO[C@H](CC[NH3+])C1 ZINC001246536659 987893215 /nfs/dbraw/zinc/89/32/15/987893215.db2.gz VULAOWJBJXVVDT-UONOGXRCSA-N 1 3 242.407 2.395 20 0 BEADHO CCOC1CCC([N@@H+]2CCC[C@H](N)CC2)CC1 ZINC001246540003 987900965 /nfs/dbraw/zinc/90/09/65/987900965.db2.gz DXIKQFKBRPEYKH-HSBZDZAISA-N 1 3 240.391 2.147 20 0 BEADHO CCOC1CCC([N@H+]2CCC[C@H](N)CC2)CC1 ZINC001246540003 987900970 /nfs/dbraw/zinc/90/09/70/987900970.db2.gz DXIKQFKBRPEYKH-HSBZDZAISA-N 1 3 240.391 2.147 20 0 BEADHO CC[C@@H]1CC[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246557584 987979253 /nfs/dbraw/zinc/97/92/53/987979253.db2.gz MIZWOROXXRCCCN-IJLUTSLNSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(F)CC2)CCN1 ZINC001246573131 988067524 /nfs/dbraw/zinc/06/75/24/988067524.db2.gz YUBYOFQTQWTFPD-JHJVBQTASA-N 1 3 228.355 2.341 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(F)CC2)CCN1 ZINC001246573131 988067538 /nfs/dbraw/zinc/06/75/38/988067538.db2.gz YUBYOFQTQWTFPD-JHJVBQTASA-N 1 3 228.355 2.341 20 0 BEADHO CC(C)OCC[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246584164 988119638 /nfs/dbraw/zinc/11/96/38/988119638.db2.gz SOQUJIIKDGVMBP-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCC[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246584164 988119649 /nfs/dbraw/zinc/11/96/49/988119649.db2.gz SOQUJIIKDGVMBP-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC1(CN)C[NH+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001246590394 988162703 /nfs/dbraw/zinc/16/27/03/988162703.db2.gz TZANLKJLQYCQJW-UHFFFAOYSA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C[NH3+])CN(C2CC(C)(C)OC(C)(C)C2)C1 ZINC001246590394 988162713 /nfs/dbraw/zinc/16/27/13/988162713.db2.gz TZANLKJLQYCQJW-UHFFFAOYSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H](Cc1ccccn1)N1CCCC[C@H](C[NH3+])C1 ZINC001246592532 988174428 /nfs/dbraw/zinc/17/44/28/988174428.db2.gz KBGCQTOZJRHHAP-UONOGXRCSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccccn1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246592532 988174437 /nfs/dbraw/zinc/17/44/37/988174437.db2.gz KBGCQTOZJRHHAP-UONOGXRCSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246592532 988174444 /nfs/dbraw/zinc/17/44/44/988174444.db2.gz KBGCQTOZJRHHAP-UONOGXRCSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CC([NH+]2CC(C)(CN)C2)C[C@@H](C)C1 ZINC001246599703 988202763 /nfs/dbraw/zinc/20/27/63/988202763.db2.gz PWBHJUYAGIKRRD-QWRGUYRKSA-N 1 3 210.365 2.092 20 0 BEADHO CSCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246609744 988227292 /nfs/dbraw/zinc/22/72/92/988227292.db2.gz NAGCSMWTWLXONL-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CSCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246609744 988227317 /nfs/dbraw/zinc/22/73/17/988227317.db2.gz NAGCSMWTWLXONL-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO C1CCC2(C1)CCC[N@@H+]([C@@H]1CCCNC1)C2 ZINC001246616536 988261784 /nfs/dbraw/zinc/26/17/84/988261784.db2.gz WWWPAXQNOIGMRB-CYBMUJFWSA-N 1 3 222.376 2.395 20 0 BEADHO C1CCC2(C1)CCC[N@H+]([C@@H]1CCCNC1)C2 ZINC001246616536 988261807 /nfs/dbraw/zinc/26/18/07/988261807.db2.gz WWWPAXQNOIGMRB-CYBMUJFWSA-N 1 3 222.376 2.395 20 0 BEADHO C1CC12CCC(N1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246635028 988316714 /nfs/dbraw/zinc/31/67/14/988316714.db2.gz IZPAGBIJMMMLMM-CHWSQXEVSA-N 1 3 220.360 2.145 20 0 BEADHO CC[C@H]1CC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640308 988342826 /nfs/dbraw/zinc/34/28/26/988342826.db2.gz SBRGLLAOYXLWIT-UMSGYPCISA-N 1 3 208.349 2.001 20 0 BEADHO CC[C@@H]1CC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246644304 988358304 /nfs/dbraw/zinc/35/83/04/988358304.db2.gz SBRGLLAOYXLWIT-FVCCEPFGSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656403 988385756 /nfs/dbraw/zinc/38/57/56/988385756.db2.gz NOJKRZHMJRVRJY-USZNOCQGSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656403 988385768 /nfs/dbraw/zinc/38/57/68/988385768.db2.gz NOJKRZHMJRVRJY-USZNOCQGSA-N 1 3 244.329 2.104 20 0 BEADHO CCCCC[C@@H](CC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657992 988387560 /nfs/dbraw/zinc/38/75/60/988387560.db2.gz BMGXNDCTDAUABS-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO CCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657992 988387568 /nfs/dbraw/zinc/38/75/68/988387568.db2.gz BMGXNDCTDAUABS-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO CC(C)(C)C1CCC([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001246665937 988406239 /nfs/dbraw/zinc/40/62/39/988406239.db2.gz VJERIBYKBCXEJA-MOIJGLSHSA-N 1 3 236.403 2.480 20 0 BEADHO CC(C)(C)C1CCC([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001246665937 988406246 /nfs/dbraw/zinc/40/62/46/988406246.db2.gz VJERIBYKBCXEJA-MOIJGLSHSA-N 1 3 236.403 2.480 20 0 BEADHO C[C@@H]1C[C@H](N2CC[C@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246774104 988455314 /nfs/dbraw/zinc/45/53/14/988455314.db2.gz COTYVIFTYIEHGP-VHDGCEQUSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](c3ccncc3)C2)CCN1 ZINC001246774104 988455316 /nfs/dbraw/zinc/45/53/16/988455316.db2.gz COTYVIFTYIEHGP-VHDGCEQUSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](c3ccncc3)C2)CCN1 ZINC001246774104 988455320 /nfs/dbraw/zinc/45/53/20/988455320.db2.gz COTYVIFTYIEHGP-VHDGCEQUSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CNC3)C2)C[C@@H]1C ZINC001246792232 988468829 /nfs/dbraw/zinc/46/88/29/988468829.db2.gz ORBVMOXMLUWNIW-RDBSUJKOSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCCC3(CNC3)C2)C[C@@H]1C ZINC001246792232 988468833 /nfs/dbraw/zinc/46/88/33/988468833.db2.gz ORBVMOXMLUWNIW-RDBSUJKOSA-N 1 3 236.403 2.497 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246811808 988497225 /nfs/dbraw/zinc/49/72/25/988497225.db2.gz XMXHUXTUYZPDAC-AGIUHOORSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246811808 988497230 /nfs/dbraw/zinc/49/72/30/988497230.db2.gz XMXHUXTUYZPDAC-AGIUHOORSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)[C@H](C)C1 ZINC001246811409 988497925 /nfs/dbraw/zinc/49/79/25/988497925.db2.gz VELJTGIBRWVDFS-LPWJVIDDSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)[C@H](C)C1 ZINC001246811409 988497935 /nfs/dbraw/zinc/49/79/35/988497935.db2.gz VELJTGIBRWVDFS-LPWJVIDDSA-N 1 3 210.365 2.247 20 0 BEADHO CCCC(CCC)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246846429 988552457 /nfs/dbraw/zinc/55/24/57/988552457.db2.gz NPDAZVZRNKDCEM-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC(CCC)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246846429 988552463 /nfs/dbraw/zinc/55/24/63/988552463.db2.gz NPDAZVZRNKDCEM-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CCCCC[C@H](C)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246857569 988590319 /nfs/dbraw/zinc/59/03/19/988590319.db2.gz AZWHTYFKLVCCOG-YNEHKIRRSA-N 1 3 210.365 2.378 20 0 BEADHO CC(C)CC[C@H](C)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246862124 988600076 /nfs/dbraw/zinc/60/00/76/988600076.db2.gz QBMRWEPKEWYPEA-RWMBFGLXSA-N 1 3 210.365 2.234 20 0 BEADHO CCC[N@H+](C1CCOCC1)[C@@H]1CCN[C@H](C)C1 ZINC001246900270 988674235 /nfs/dbraw/zinc/67/42/35/988674235.db2.gz UOTJSRDMYYEVPC-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C1CCOCC1)[C@@H]1CCN[C@H](C)C1 ZINC001246900270 988674238 /nfs/dbraw/zinc/67/42/38/988674238.db2.gz UOTJSRDMYYEVPC-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO FC1(F)C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH2+]C1 ZINC001118896598 988675673 /nfs/dbraw/zinc/67/56/73/988675673.db2.gz DFVAUGKIHXIQTA-SDDRHHMPSA-N 1 3 244.329 2.248 20 0 BEADHO CCC[C@@H](CC)[N@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929982 988745864 /nfs/dbraw/zinc/74/58/64/988745864.db2.gz RDPGHCOSIJSYCQ-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@@H](CC)[N@@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929982 988745877 /nfs/dbraw/zinc/74/58/77/988745877.db2.gz RDPGHCOSIJSYCQ-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@@H](CC)[N@H+](CCOC)[C@H]1CCCNC1 ZINC001246929977 988758906 /nfs/dbraw/zinc/75/89/06/988758906.db2.gz RDPGHCOSIJSYCQ-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@@H](CC)[N@@H+](CCOC)[C@H]1CCCNC1 ZINC001246929977 988758916 /nfs/dbraw/zinc/75/89/16/988758916.db2.gz RDPGHCOSIJSYCQ-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246936585 988766186 /nfs/dbraw/zinc/76/61/86/988766186.db2.gz FMAHAOQRSOBZIB-AVGNSLFASA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H]1CCCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246936585 988766194 /nfs/dbraw/zinc/76/61/94/988766194.db2.gz FMAHAOQRSOBZIB-AVGNSLFASA-N 1 3 210.365 2.391 20 0 BEADHO CCCCCC[C@@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246951307 988788967 /nfs/dbraw/zinc/78/89/67/988788967.db2.gz ZWDXXSDBXKYWKQ-MQYQWHSLSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947498 988789717 /nfs/dbraw/zinc/78/97/17/988789717.db2.gz LETQSPRTROQNEE-IGQOVBAYSA-N 1 3 224.392 2.351 20 0 BEADHO CNCC[C@H](C)[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001247003605 988838254 /nfs/dbraw/zinc/83/82/54/988838254.db2.gz MXHAIUGQRLFYNB-AVGNSLFASA-N 1 3 212.381 2.495 20 0 BEADHO CNCC[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001247003605 988838256 /nfs/dbraw/zinc/83/82/56/988838256.db2.gz MXHAIUGQRLFYNB-AVGNSLFASA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC001119699007 989343582 /nfs/dbraw/zinc/34/35/82/989343582.db2.gz GZKJDUKXRPRXJD-BNDIWNMDSA-N 1 3 222.376 2.151 20 0 BEADHO C[C@@H]1CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769270 991032965 /nfs/dbraw/zinc/03/29/65/991032965.db2.gz MMRNUECDKBYZRJ-CYBMUJFWSA-N 1 3 248.370 2.221 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308554269 991036541 /nfs/dbraw/zinc/03/65/41/991036541.db2.gz NPJMDGMEQZUKHS-MELADBBJSA-N 1 3 224.392 2.352 20 0 BEADHO CSCC[C@H](C)[N@H+](CCCN)C(C)C ZINC001258200048 991115686 /nfs/dbraw/zinc/11/56/86/991115686.db2.gz OMUVNRFJTADUCI-NSHDSACASA-N 1 3 218.410 2.187 20 0 BEADHO CSCC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001258200048 991115693 /nfs/dbraw/zinc/11/56/93/991115693.db2.gz OMUVNRFJTADUCI-NSHDSACASA-N 1 3 218.410 2.187 20 0 BEADHO COc1ccc(CC[C@@H](C)NC2(C[NH3+])CC2)cc1 ZINC001258396971 991345889 /nfs/dbraw/zinc/34/58/89/991345889.db2.gz UCZGXLFPPQPTEO-GFCCVEGCSA-N 1 3 248.370 2.097 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001560622562 991526432 /nfs/dbraw/zinc/52/64/32/991526432.db2.gz KSRMRUOLXDYHLW-IKOXMDCHSA-N 1 3 222.376 2.105 20 0 BEADHO C[C@H]1CCC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819999 991841643 /nfs/dbraw/zinc/84/16/43/991841643.db2.gz JEKPQAPIGSKRIY-XGUBFFRZSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H]1CCC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819999 991841648 /nfs/dbraw/zinc/84/16/48/991841648.db2.gz JEKPQAPIGSKRIY-XGUBFFRZSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819997 991843274 /nfs/dbraw/zinc/84/32/74/991843274.db2.gz JEKPQAPIGSKRIY-KBXIAJHMSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819997 991843281 /nfs/dbraw/zinc/84/32/81/991843281.db2.gz JEKPQAPIGSKRIY-KBXIAJHMSA-N 1 3 236.403 2.449 20 0 BEADHO COc1ccccc1C[C@@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001258886785 991889048 /nfs/dbraw/zinc/88/90/48/991889048.db2.gz UBKBTNGEZZGDSJ-KWCYVHTRSA-N 1 3 248.370 2.096 20 0 BEADHO FC1(F)CC[C@H](CCN[C@H]2CCC[NH2+]C2)C1 ZINC001574227526 992824304 /nfs/dbraw/zinc/82/43/04/992824304.db2.gz URKVHTRVHUSNPY-MNOVXSKESA-N 1 3 232.318 2.154 20 0 BEADHO FC1(F)CC[C@@H](CCN[C@@H]2CCC[NH2+]C2)C1 ZINC001574227533 992825419 /nfs/dbraw/zinc/82/54/19/992825419.db2.gz URKVHTRVHUSNPY-WDEREUQCSA-N 1 3 232.318 2.154 20 0 BEADHO [NH3+]C1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC001574271016 992836090 /nfs/dbraw/zinc/83/60/90/992836090.db2.gz WTAYFLBGPOKORW-DZGCQCFKSA-N 1 3 230.355 2.213 20 0 BEADHO C(C1CC1)[N@H+](CC1CNC1)C1CCCCC1 ZINC001574795966 992911312 /nfs/dbraw/zinc/91/13/12/992911312.db2.gz RKSGBUWGJIUGNP-UHFFFAOYSA-N 1 3 222.376 2.251 20 0 BEADHO C(C1CC1)[N@@H+](CC1CNC1)C1CCCCC1 ZINC001574795966 992911320 /nfs/dbraw/zinc/91/13/20/992911320.db2.gz RKSGBUWGJIUGNP-UHFFFAOYSA-N 1 3 222.376 2.251 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CNCCC1(O)CCC1 ZINC001575131368 992994130 /nfs/dbraw/zinc/99/41/30/992994130.db2.gz UBSZFMGEKKDRJA-LBPRGKRZSA-N 1 3 242.407 2.035 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CNCCC1(O)CCC1 ZINC001575131366 992994955 /nfs/dbraw/zinc/99/49/55/992994955.db2.gz UBSZFMGEKKDRJA-GFCCVEGCSA-N 1 3 242.407 2.035 20 0 BEADHO CC(C)(CC(F)(F)F)NC[C@@H]1CCC[NH2+]C1 ZINC001575297691 993002848 /nfs/dbraw/zinc/00/28/48/993002848.db2.gz IPKDJZWMQXNAKU-SECBINFHSA-N 1 3 238.297 2.307 20 0 BEADHO CC(C)[C@H]1CCC[C@H]1[NH2+][C@H]1CCN[C@@H]1C ZINC001575498643 993056672 /nfs/dbraw/zinc/05/66/72/993056672.db2.gz NESMMTZNWRKVQZ-FVCCEPFGSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)C1CC(N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1 ZINC001575499646 993059427 /nfs/dbraw/zinc/05/94/27/993059427.db2.gz VLXYKDYKQXCJJK-HRDMENRUSA-N 1 3 224.392 2.397 20 0 BEADHO CC(C)CSCCCN(C)C1CC([NH3+])C1 ZINC001575617726 993083710 /nfs/dbraw/zinc/08/37/10/993083710.db2.gz QNKMTYAKBIOGRY-UHFFFAOYSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)COc1ccccc1CNC/C=C\C[NH3+] ZINC001575617867 993087098 /nfs/dbraw/zinc/08/70/98/993087098.db2.gz UVRNOIPGXCMRSS-WAYWQWQTSA-N 1 3 248.370 2.326 20 0 BEADHO C[C@H](C[NH3+])CNC/C=C\c1cccc(F)c1 ZINC001575987490 993150724 /nfs/dbraw/zinc/15/07/24/993150724.db2.gz HVBLPFQIEFKTEK-USEMIUTHSA-N 1 3 222.307 2.023 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CC2CCC1CC2 ZINC001576252807 993233373 /nfs/dbraw/zinc/23/33/73/993233373.db2.gz TZXOBTRFCQTNRF-RSUORJDLSA-N 1 3 236.403 2.399 20 0 BEADHO CC1(C)C(C)(C)C1(C)NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001576366077 993277851 /nfs/dbraw/zinc/27/78/51/993277851.db2.gz UVGOSHYLKNMDHK-YGRLFVJLSA-N 1 3 222.376 2.010 20 0 BEADHO CC1(C)CC[C@H](CNC[C@H]2CCSC2)[NH2+]C1 ZINC001576421068 993300238 /nfs/dbraw/zinc/30/02/38/993300238.db2.gz DSWDSVTVIQEPEG-VXGBXAGGSA-N 1 3 242.432 2.107 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001576477169 993315044 /nfs/dbraw/zinc/31/50/44/993315044.db2.gz REOMWOYHVBLWRN-NDBYEHHHSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@@H+]1CCCNC1CC1 ZINC001576590140 993352951 /nfs/dbraw/zinc/35/29/51/993352951.db2.gz ZDJIAUAKLMTLSY-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@H+]1CCCNC1CC1 ZINC001576590140 993352960 /nfs/dbraw/zinc/35/29/60/993352960.db2.gz ZDJIAUAKLMTLSY-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC(C)(C)CN1CCC[NH2+]C1CC1 ZINC001576590140 993352965 /nfs/dbraw/zinc/35/29/65/993352965.db2.gz ZDJIAUAKLMTLSY-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576588576 993359719 /nfs/dbraw/zinc/35/97/19/993359719.db2.gz BUKAKPVVHFVGJM-NNYUYHANSA-N 1 3 210.365 2.281 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000382356214 993446177 /nfs/dbraw/zinc/44/61/77/993446177.db2.gz IJGQKTAKXYVQMR-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](Cc1ccco1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC000383652631 993507484 /nfs/dbraw/zinc/50/74/84/993507484.db2.gz DVOCYRQVWNACQJ-OLZOCXBDSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@H](Cc1ccco1)[N@H+]1CCCC[C@@H](CN)C1 ZINC000383652631 993507493 /nfs/dbraw/zinc/50/74/93/993507493.db2.gz DVOCYRQVWNACQJ-OLZOCXBDSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@H](Cc1ccco1)N1CCCC[C@@H](C[NH3+])C1 ZINC000383652631 993507508 /nfs/dbraw/zinc/50/75/08/993507508.db2.gz DVOCYRQVWNACQJ-OLZOCXBDSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@H](Cc1ccco1)[N@@H+]1CCCC[C@H](CN)C1 ZINC000383652629 993510208 /nfs/dbraw/zinc/51/02/08/993510208.db2.gz DVOCYRQVWNACQJ-CHWSQXEVSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@H](Cc1ccco1)[N@H+]1CCCC[C@H](CN)C1 ZINC000383652629 993510213 /nfs/dbraw/zinc/51/02/13/993510213.db2.gz DVOCYRQVWNACQJ-CHWSQXEVSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@H](Cc1ccco1)N1CCCC[C@H](C[NH3+])C1 ZINC000383652629 993510223 /nfs/dbraw/zinc/51/02/23/993510223.db2.gz DVOCYRQVWNACQJ-CHWSQXEVSA-N 1 3 236.359 2.271 20 0 BEADHO CCC(O)(CC)C(C)(C)C[NH2+]CC(C)(C)CN ZINC001577179151 993534648 /nfs/dbraw/zinc/53/46/48/993534648.db2.gz FFICBODXVOFJRC-UHFFFAOYSA-N 1 3 244.423 2.138 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCNC[C@H](C)C2)c1 ZINC000385299374 993656726 /nfs/dbraw/zinc/65/67/26/993656726.db2.gz KPWVWEHBRDUOAC-ZDUSSCGKSA-N 1 3 232.371 2.345 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCNC[C@H](C)C2)c1 ZINC000385299374 993656729 /nfs/dbraw/zinc/65/67/29/993656729.db2.gz KPWVWEHBRDUOAC-ZDUSSCGKSA-N 1 3 232.371 2.345 20 0 BEADHO CC[N@@H+](C[C@H](N)CCC(C)(C)C)C[C@H](C)OC ZINC001577672058 993719265 /nfs/dbraw/zinc/71/92/65/993719265.db2.gz SETSLJDYAWDXOO-QWHCGFSZSA-N 1 3 244.423 2.497 20 0 BEADHO CC[N@H+](C[C@H](N)CCC(C)(C)C)C[C@H](C)OC ZINC001577672058 993719275 /nfs/dbraw/zinc/71/92/75/993719275.db2.gz SETSLJDYAWDXOO-QWHCGFSZSA-N 1 3 244.423 2.497 20 0 BEADHO NC[C@@H]1CCCC[N@H+](CCc2cccs2)C1 ZINC000390470307 993792518 /nfs/dbraw/zinc/79/25/18/993792518.db2.gz HCAXZRDXPYYVTC-LBPRGKRZSA-N 1 3 238.400 2.351 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](CCc2cccs2)C1 ZINC000390470307 993792529 /nfs/dbraw/zinc/79/25/29/993792529.db2.gz HCAXZRDXPYYVTC-LBPRGKRZSA-N 1 3 238.400 2.351 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001621570548 1170164152 /nfs/dbraw/zinc/16/41/52/1170164152.db2.gz XACUCJSLKICMMB-FAAHXZRKSA-N 1 3 236.403 2.495 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC000051321022 1171893949 /nfs/dbraw/zinc/89/39/49/1171893949.db2.gz ILTCSGLOPJDUCO-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC000051321022 1171893955 /nfs/dbraw/zinc/89/39/55/1171893955.db2.gz ILTCSGLOPJDUCO-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000548918496 398139116 /nfs/dbraw/zinc/13/91/16/398139116.db2.gz AWNOTSNGIQMCNR-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000548918496 398139118 /nfs/dbraw/zinc/13/91/18/398139118.db2.gz AWNOTSNGIQMCNR-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1C[C@H](C)C[C@@H]1C ZINC000548918496 398139120 /nfs/dbraw/zinc/13/91/20/398139120.db2.gz AWNOTSNGIQMCNR-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000415012714 398153437 /nfs/dbraw/zinc/15/34/37/398153437.db2.gz UCNQQAFBRVAECK-RYUDHWBXSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000422942354 398159880 /nfs/dbraw/zinc/15/98/80/398159880.db2.gz PLDJAMFYQPESSH-VHSXEESVSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H](N)C2)CCO1 ZINC000563426364 398170799 /nfs/dbraw/zinc/17/07/99/398170799.db2.gz UDXMUTMGCGKWFY-MQYQWHSLSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H](N)C2)CCO1 ZINC000563426365 398171017 /nfs/dbraw/zinc/17/10/17/398171017.db2.gz UDXMUTMGCGKWFY-SYQHCUMBSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](CCc1ccccc1)NCC1([NH3+])CCC1 ZINC000342146420 398189324 /nfs/dbraw/zinc/18/93/24/398189324.db2.gz SVCZIAPPSQIGFO-ZDUSSCGKSA-N 1 3 232.371 2.479 20 0 BEADHO Cc1cc(F)ccc1C[NH2+]CC1=CCN(C)CC1 ZINC000271894734 178085277 /nfs/dbraw/zinc/08/52/77/178085277.db2.gz PBLFMOADOVWHED-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO CCC[C@H](C[NH2+]CCCN(C)C(C)C)OC ZINC000385947782 398193407 /nfs/dbraw/zinc/19/34/07/398193407.db2.gz CDKXWGUFIIFSRO-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO Cc1cc(N2CC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000019439056 178117175 /nfs/dbraw/zinc/11/71/75/178117175.db2.gz PZNIFTAJDVVEPN-LBPRGKRZSA-N 1 3 241.338 2.328 20 0 BEADHO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000293133097 178119706 /nfs/dbraw/zinc/11/97/06/178119706.db2.gz RUIXMCMJUJPKOS-CQSZACIVSA-N 1 3 245.370 2.312 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCNC3)[C@@H]1C ZINC000386302698 398205124 /nfs/dbraw/zinc/20/51/24/398205124.db2.gz VRPBRQCVSJMVGW-HSMVNMDESA-N 1 3 244.382 2.466 20 0 BEADHO CC[C@H](Cc1cccs1)N[C@H](C)C[NH3+] ZINC000643519419 398232901 /nfs/dbraw/zinc/23/29/01/398232901.db2.gz SPRJVBVPWHXFNW-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO Cc1cc([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)no1 ZINC000333893844 178256442 /nfs/dbraw/zinc/25/64/42/178256442.db2.gz YROOBKCGEOCFRD-QNWHQSFQSA-N 1 3 249.358 2.022 20 0 BEADHO Fc1ccc(F)c(CNCC2CC[NH2+]CC2)c1 ZINC000094010485 398244049 /nfs/dbraw/zinc/24/40/49/398244049.db2.gz CACYJZGEUVJCNI-UHFFFAOYSA-N 1 3 240.297 2.054 20 0 BEADHO CN(C)CCOc1cccc(C2=CC[NH2+]CC2)c1 ZINC000649442980 398248639 /nfs/dbraw/zinc/24/86/39/398248639.db2.gz GIPJCVPPSYOAQB-UHFFFAOYSA-N 1 3 246.354 2.004 20 0 BEADHO CC(C)NCCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000576694689 365657723 /nfs/dbraw/zinc/65/77/23/365657723.db2.gz MSHXZBIVKSFWLE-NWDGAFQWSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2COc3ccccc32)C1 ZINC000576718174 365669165 /nfs/dbraw/zinc/66/91/65/365669165.db2.gz UXVVGVKTTRTFHU-JHJVBQTASA-N 1 3 246.354 2.022 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000576718174 365669168 /nfs/dbraw/zinc/66/91/68/365669168.db2.gz UXVVGVKTTRTFHU-JHJVBQTASA-N 1 3 246.354 2.022 20 0 BEADHO Cc1cccc(CCN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000449262921 398266256 /nfs/dbraw/zinc/26/62/56/398266256.db2.gz FYSJXIUHQKGWCQ-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1cccc(CCN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000449262921 398266258 /nfs/dbraw/zinc/26/62/58/398266258.db2.gz FYSJXIUHQKGWCQ-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624124196 346853978 /nfs/dbraw/zinc/85/39/78/346853978.db2.gz ZSSHLMDDESGQDW-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166562560 361851591 /nfs/dbraw/zinc/85/15/91/361851591.db2.gz FBUSIUYPLXFZER-LBPRGKRZSA-N 1 3 200.370 2.351 20 0 BEADHO C[NH+]1CCC(NCc2ccc3[nH]ccc3c2)CC1 ZINC000083371995 398278297 /nfs/dbraw/zinc/27/82/97/398278297.db2.gz VTGMQDOXMYXDKE-UHFFFAOYSA-N 1 3 243.354 2.352 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC1CC1 ZINC000166564460 361853273 /nfs/dbraw/zinc/85/32/73/361853273.db2.gz SMGFXXAVQWRZDQ-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)CC1CC1 ZINC000166564563 361853326 /nfs/dbraw/zinc/85/33/26/361853326.db2.gz SMGFXXAVQWRZDQ-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO CCC(CC)[NH2+]CCCN(C)C(C)C ZINC000166567027 361853520 /nfs/dbraw/zinc/85/35/20/361853520.db2.gz RKLLVMDFFFJJHO-UHFFFAOYSA-N 1 3 200.370 2.495 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000600188755 342698740 /nfs/dbraw/zinc/69/87/40/342698740.db2.gz DQKKRBGBHSPMPB-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600188755 342698741 /nfs/dbraw/zinc/69/87/41/342698741.db2.gz DQKKRBGBHSPMPB-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600188755 342698742 /nfs/dbraw/zinc/69/87/42/342698742.db2.gz DQKKRBGBHSPMPB-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H](N[C@@H](C)c1ccccn1)C1CC[NH+](C)CC1 ZINC000037220380 538961934 /nfs/dbraw/zinc/96/19/34/538961934.db2.gz RNEZHQYWTDRPNR-OLZOCXBDSA-N 1 3 247.386 2.463 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H]1C ZINC000083389773 398280475 /nfs/dbraw/zinc/28/04/75/398280475.db2.gz NUVFNGJUGRABEX-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(CC)[NH2+]CCCN(CC)CC ZINC000019942954 168387103 /nfs/dbraw/zinc/38/71/03/168387103.db2.gz XGXAKAPRTVWWSC-UHFFFAOYSA-N 1 3 200.370 2.497 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000335365119 398287101 /nfs/dbraw/zinc/28/71/01/398287101.db2.gz YIPJPUXLBHJZCZ-IUODEOHRSA-N 1 3 247.386 2.150 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000335365119 398287103 /nfs/dbraw/zinc/28/71/03/398287103.db2.gz YIPJPUXLBHJZCZ-IUODEOHRSA-N 1 3 247.386 2.150 20 0 BEADHO C1C[C@H]2C[C@H]([NH2+]C3CCSCC3)CCN2C1 ZINC000106868995 398286226 /nfs/dbraw/zinc/28/62/26/398286226.db2.gz IRSLVGSOGWWFBB-OLZOCXBDSA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@H]2C[C@H](NC3CCSCC3)CC[N@@H+]2C1 ZINC000106868995 398286229 /nfs/dbraw/zinc/28/62/29/398286229.db2.gz IRSLVGSOGWWFBB-OLZOCXBDSA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@H]2C[C@H](NC3CCSCC3)CC[N@H+]2C1 ZINC000106868995 398286230 /nfs/dbraw/zinc/28/62/30/398286230.db2.gz IRSLVGSOGWWFBB-OLZOCXBDSA-N 1 3 240.416 2.098 20 0 BEADHO C[C@H]1C[C@@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC000197532360 539012320 /nfs/dbraw/zinc/01/23/20/539012320.db2.gz YJADHPWJQNQDBK-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000350764160 398302196 /nfs/dbraw/zinc/30/21/96/398302196.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000350764160 398302197 /nfs/dbraw/zinc/30/21/97/398302197.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2CCC2)C1 ZINC000350764160 398302198 /nfs/dbraw/zinc/30/21/98/398302198.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2CCC2)C1 ZINC000350764160 398302199 /nfs/dbraw/zinc/30/21/99/398302199.db2.gz ONQLSOABYMRCKW-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO C(C1CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871392 342910147 /nfs/dbraw/zinc/91/01/47/342910147.db2.gz CSKBTEYENJBTKP-ZFWWWQNUSA-N 1 3 234.387 2.345 20 0 BEADHO C(C1CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134871392 342910149 /nfs/dbraw/zinc/91/01/49/342910149.db2.gz CSKBTEYENJBTKP-ZFWWWQNUSA-N 1 3 234.387 2.345 20 0 BEADHO CCO[C@H]1C[C@@H](NCCC[NH2+]C(C)C)C1(C)C ZINC000233778867 342912251 /nfs/dbraw/zinc/91/22/51/342912251.db2.gz YYXWWJYPWUQFBQ-OLZOCXBDSA-N 1 3 242.407 2.168 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000037467899 342932697 /nfs/dbraw/zinc/93/26/97/342932697.db2.gz REJUNCGUGJNFLX-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](c1ccccc1)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313350932 259333745 /nfs/dbraw/zinc/33/37/45/259333745.db2.gz LDLYUAKFCZJNSB-CABCVRRESA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@@H](c1ccccc1)[N@H+]1CCCO[C@H](CN)C1 ZINC000313350932 259333747 /nfs/dbraw/zinc/33/37/47/259333747.db2.gz LDLYUAKFCZJNSB-CABCVRRESA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@@H](c1ccccc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313350932 259333748 /nfs/dbraw/zinc/33/37/48/259333748.db2.gz LDLYUAKFCZJNSB-CABCVRRESA-N 1 3 248.370 2.187 20 0 BEADHO CC(C)N1CCC([NH2+]Cc2ccncc2)CC1 ZINC000020189008 342975852 /nfs/dbraw/zinc/97/58/52/342975852.db2.gz FVKHYHLVAGGABT-UHFFFAOYSA-N 1 3 233.359 2.044 20 0 BEADHO CC(C)(C)N1CCC([NH2+]CC2CC2)CC1 ZINC000037786506 342980976 /nfs/dbraw/zinc/98/09/76/342980976.db2.gz WYPMCOYQFGFVRV-UHFFFAOYSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000351856985 136258338 /nfs/dbraw/zinc/25/83/38/136258338.db2.gz AHWCYIIWZQIXEX-NVBFEUDRSA-N 1 3 248.345 2.482 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000576862098 365705260 /nfs/dbraw/zinc/70/52/60/365705260.db2.gz IYVOWCWWWUSWBB-GRYCIOLGSA-N 1 3 212.381 2.399 20 0 BEADHO CCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247116279 343077063 /nfs/dbraw/zinc/07/70/63/343077063.db2.gz AHGYQMWZVZSQAH-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247116279 343077064 /nfs/dbraw/zinc/07/70/64/343077064.db2.gz AHGYQMWZVZSQAH-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247116279 343077066 /nfs/dbraw/zinc/07/70/66/343077066.db2.gz AHGYQMWZVZSQAH-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247116279 343077068 /nfs/dbraw/zinc/07/70/68/343077068.db2.gz AHGYQMWZVZSQAH-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000094183061 343152447 /nfs/dbraw/zinc/15/24/47/343152447.db2.gz AOPJMCQKPRLAMH-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccccc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000094183061 343152448 /nfs/dbraw/zinc/15/24/48/343152448.db2.gz AOPJMCQKPRLAMH-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335613056 136295725 /nfs/dbraw/zinc/29/57/25/136295725.db2.gz RWLYBTLHCIWDAM-KOLCDFICSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000349157520 136327766 /nfs/dbraw/zinc/32/77/66/136327766.db2.gz YTPCJFVNDMXXMU-SNPRPXQTSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000349157520 136327767 /nfs/dbraw/zinc/32/77/67/136327767.db2.gz YTPCJFVNDMXXMU-SNPRPXQTSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000350953508 136366289 /nfs/dbraw/zinc/36/62/89/136366289.db2.gz WJKJJDLJILHVEZ-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO CN(CCC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000398626392 488220581 /nfs/dbraw/zinc/22/05/81/488220581.db2.gz IBGDOVCNMANXEL-PBWFPOADSA-N 1 3 222.376 2.391 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000570226584 323053707 /nfs/dbraw/zinc/05/37/07/323053707.db2.gz OBADUXRTNNUTGF-DKNRTOFZSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000088162888 343709399 /nfs/dbraw/zinc/70/93/99/343709399.db2.gz SMPRYMGHYAGJJI-CYZMBNFOSA-N 1 3 210.365 2.425 20 0 BEADHO Cc1ccsc1CN1CCC[C@H](C[NH3+])C1 ZINC000044527837 343781333 /nfs/dbraw/zinc/78/13/33/343781333.db2.gz YCOGWWMYVPRJNH-LLVKDONJSA-N 1 3 224.373 2.227 20 0 BEADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336665060 537817444 /nfs/dbraw/zinc/81/74/44/537817444.db2.gz LKBNVBQAPVKWGX-KGLIPLIRSA-N 1 3 222.376 2.273 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000387661121 346995285 /nfs/dbraw/zinc/99/52/85/346995285.db2.gz HLONGKNINXWJNM-NDBYEHHHSA-N 1 3 210.365 2.140 20 0 BEADHO COc1ccc(CN2CCC(C[NH3+])CC2)cc1C ZINC000050597689 187357138 /nfs/dbraw/zinc/35/71/38/187357138.db2.gz OTPMYJWXKVDARG-UHFFFAOYSA-N 1 3 248.370 2.174 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733659 344113727 /nfs/dbraw/zinc/11/37/27/344113727.db2.gz KUFJKPATNQWJLU-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000129587850 344213530 /nfs/dbraw/zinc/21/35/30/344213530.db2.gz YYJNXHKXAQIQGS-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](c1ccc(F)cc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000084221698 344321069 /nfs/dbraw/zinc/32/10/69/344321069.db2.gz HIMFLNDJATVPDK-UMVBOHGHSA-N 1 3 248.345 2.428 20 0 BEADHO CCC1CCC([N@H+](C)CCCNC)CC1 ZINC000042516778 344456541 /nfs/dbraw/zinc/45/65/41/344456541.db2.gz OWRSOGZHORFLLQ-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CCC1CCC([N@@H+](C)CCCNC)CC1 ZINC000042516778 344456543 /nfs/dbraw/zinc/45/65/43/344456543.db2.gz OWRSOGZHORFLLQ-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCF ZINC000389331097 344459787 /nfs/dbraw/zinc/45/97/87/344459787.db2.gz LSBQSZKBCBJWRI-NEPJUHHUSA-N 1 3 216.344 2.246 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336775300 537848292 /nfs/dbraw/zinc/84/82/92/537848292.db2.gz YQLRBDVDSJKBTB-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@H]2CCCCO2)CC1 ZINC000049855610 192083509 /nfs/dbraw/zinc/08/35/09/192083509.db2.gz UCDIPXJALMTJQU-AWEZNQCLSA-N 1 3 240.391 2.018 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+]CC12CC(C1)CN2 ZINC000634996047 345185939 /nfs/dbraw/zinc/18/59/39/345185939.db2.gz XUKKDKBUKHWRNZ-UGWHAMFMSA-N 1 3 242.366 2.058 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024325 345224534 /nfs/dbraw/zinc/22/45/34/345224534.db2.gz WLOHBQLNPJQIOG-KBPBESRZSA-N 1 3 241.338 2.204 20 0 BEADHO CC(C)[C@@H](C[NH3+])CN[C@@H]1CCc2cc(N)ccc21 ZINC000634996700 345191442 /nfs/dbraw/zinc/19/14/42/345191442.db2.gz QZRWXRZUGHGERL-SWLSCSKDSA-N 1 3 247.386 2.077 20 0 BEADHO CC(C)[C@@H](CN)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000634996700 345191444 /nfs/dbraw/zinc/19/14/44/345191444.db2.gz QZRWXRZUGHGERL-SWLSCSKDSA-N 1 3 247.386 2.077 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CN ZINC000634999610 345199924 /nfs/dbraw/zinc/19/99/24/345199924.db2.gz WZILUUWDDZNTQK-BVUBDWEXSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1CN ZINC000634999610 345199925 /nfs/dbraw/zinc/19/99/25/345199925.db2.gz WZILUUWDDZNTQK-BVUBDWEXSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634999614 345199973 /nfs/dbraw/zinc/19/99/73/345199973.db2.gz WZXDXGJGOXAFRM-FMKPAKJESA-N 1 3 246.398 2.392 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634999614 345199976 /nfs/dbraw/zinc/19/99/76/345199976.db2.gz WZXDXGJGOXAFRM-FMKPAKJESA-N 1 3 246.398 2.392 20 0 BEADHO Cc1cc(F)ccc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999665 345200720 /nfs/dbraw/zinc/20/07/20/345200720.db2.gz XOCUEKZOXISMEW-DGCLKSJQSA-N 1 3 236.334 2.161 20 0 BEADHO C[C@@H](N[C@@H]1CCCC12CC2)[C@H]1CCCC[NH2+]1 ZINC000635003286 345205442 /nfs/dbraw/zinc/20/54/42/345205442.db2.gz HTYBMDQOTWSZSA-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CC1 ZINC000635004674 345208411 /nfs/dbraw/zinc/20/84/11/345208411.db2.gz JWNZMHJFOVRCMR-IUODEOHRSA-N 1 3 232.371 2.335 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004841 345208564 /nfs/dbraw/zinc/20/85/64/345208564.db2.gz QCEMGZAFMDUXDS-RWMBFGLXSA-N 1 3 222.376 2.426 20 0 BEADHO CCC[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009290 345216414 /nfs/dbraw/zinc/21/64/14/345216414.db2.gz MXOOCJPHTPGKOJ-GFCCVEGCSA-N 1 3 248.374 2.092 20 0 BEADHO CCOC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159307366 345422109 /nfs/dbraw/zinc/42/21/09/345422109.db2.gz RMQKLACBZCGNJY-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO CCOC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159307366 345422112 /nfs/dbraw/zinc/42/21/12/345422112.db2.gz RMQKLACBZCGNJY-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO COCc1cccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000216074572 345743825 /nfs/dbraw/zinc/74/38/25/345743825.db2.gz VZZIDNWGCVDTRL-IUODEOHRSA-N 1 3 248.370 2.002 20 0 BEADHO CC[C@@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000181132593 345929332 /nfs/dbraw/zinc/92/93/32/345929332.db2.gz DDKNNRVTFYQVCL-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000181132593 345929335 /nfs/dbraw/zinc/92/93/35/345929335.db2.gz DDKNNRVTFYQVCL-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181132593 345929337 /nfs/dbraw/zinc/92/93/37/345929337.db2.gz DDKNNRVTFYQVCL-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CO[C@@H](CC(C)C)C[NH+]1CCC(N(C)C)CC1 ZINC000419196280 192101967 /nfs/dbraw/zinc/10/19/67/192101967.db2.gz ZFCIYAWNVWRXKC-AWEZNQCLSA-N 1 3 242.407 2.074 20 0 BEADHO Cc1cccc(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000011888321 179076102 /nfs/dbraw/zinc/07/61/02/179076102.db2.gz CBHXHESECXQGEL-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO C[C@H](c1cccnc1)N1CCC(CC[NH3+])CC1 ZINC000070183399 349967281 /nfs/dbraw/zinc/96/72/81/349967281.db2.gz NCYOIWGJBRIQQK-GFCCVEGCSA-N 1 3 233.359 2.203 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CCC1)CN1CCCC1 ZINC000178243707 346662733 /nfs/dbraw/zinc/66/27/33/346662733.db2.gz PCIZFYCSEUEDIC-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO Cc1cccc(OCCN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228202289 179166687 /nfs/dbraw/zinc/16/66/87/179166687.db2.gz IWDJZXHEHHTUFB-UONOGXRCSA-N 1 3 248.370 2.043 20 0 BEADHO Cc1cccc(OCCN[C@H]2CCC[NH2+]CC2)c1 ZINC000129196148 179168833 /nfs/dbraw/zinc/16/88/33/179168833.db2.gz JHXIEHXZBFKVRI-AWEZNQCLSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1csc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000382080712 347145248 /nfs/dbraw/zinc/14/52/48/347145248.db2.gz IFOZBXQRNJDMGO-GHMZBOCLSA-N 1 3 224.373 2.416 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000388007560 347152161 /nfs/dbraw/zinc/15/21/61/347152161.db2.gz NAYDPHXIWLRMBS-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CO[C@H](C)C1 ZINC000402170009 349975552 /nfs/dbraw/zinc/97/55/52/349975552.db2.gz UVDCBERDHIHEAS-MQYQWHSLSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H](C[NH2+]CC1(C)CC1)CN1CCCC1 ZINC000380105798 365882019 /nfs/dbraw/zinc/88/20/19/365882019.db2.gz NBJDHCBLDOYPSX-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1ccccc1CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359283911 179261397 /nfs/dbraw/zinc/26/13/97/179261397.db2.gz KIXOKSVNFQJGJF-IYBDPMFKSA-N 1 3 244.382 2.079 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000228074013 179276992 /nfs/dbraw/zinc/27/69/92/179276992.db2.gz UHUWXBOGCHTLEN-OLZOCXBDSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000228074013 179276993 /nfs/dbraw/zinc/27/69/93/179276993.db2.gz UHUWXBOGCHTLEN-OLZOCXBDSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+]C1CCNCC1 ZINC000038041522 179288894 /nfs/dbraw/zinc/28/88/94/179288894.db2.gz QGKQFYVYVUXXJO-CYBMUJFWSA-N 1 3 232.371 2.268 20 0 BEADHO Cc1ccccc1C[C@@H](C)NC1CC[NH2+]CC1 ZINC000038041522 179288896 /nfs/dbraw/zinc/28/88/96/179288896.db2.gz QGKQFYVYVUXXJO-CYBMUJFWSA-N 1 3 232.371 2.268 20 0 BEADHO CS[C@@H]1CC[C@H]1NCCC[N@H+](C)CC(C)C ZINC000593647108 347926156 /nfs/dbraw/zinc/92/61/56/347926156.db2.gz WJJXMMPBUDBPJV-CHWSQXEVSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@@H]1CC[C@H]1NCCC[N@@H+](C)CC(C)C ZINC000593647108 347926158 /nfs/dbraw/zinc/92/61/58/347926158.db2.gz WJJXMMPBUDBPJV-CHWSQXEVSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]CCCN(C)CC(C)C ZINC000593647108 347926160 /nfs/dbraw/zinc/92/61/60/347926160.db2.gz WJJXMMPBUDBPJV-CHWSQXEVSA-N 1 3 244.448 2.448 20 0 BEADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCNCC1 ZINC000038040666 179319765 /nfs/dbraw/zinc/31/97/65/179319765.db2.gz YSNQMYYHAARRGH-GFCCVEGCSA-N 1 3 218.344 2.398 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595010209 348159616 /nfs/dbraw/zinc/15/96/16/348159616.db2.gz IZPGPNKGEUGIND-NEPJUHHUSA-N 1 3 248.411 2.009 20 0 BEADHO CSCC1(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000596648942 348604655 /nfs/dbraw/zinc/60/46/55/348604655.db2.gz BOEUWFLMZBKRME-RYUDHWBXSA-N 1 3 242.432 2.237 20 0 BEADHO CC1(C)CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530216555 323217190 /nfs/dbraw/zinc/21/71/90/323217190.db2.gz QKUSLLYMSDNORK-GHMZBOCLSA-N 1 3 208.349 2.049 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000388590903 349203369 /nfs/dbraw/zinc/20/33/69/349203369.db2.gz APCXIVGVPWIAGY-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000151105468 191059228 /nfs/dbraw/zinc/05/92/28/191059228.db2.gz NMLVNUJEHIOCNI-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCCNC1 ZINC000324788295 323282912 /nfs/dbraw/zinc/28/29/12/323282912.db2.gz IYKBDOIRJGNIOF-SMDDNHRTSA-N 1 3 222.376 2.154 20 0 BEADHO Clc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000038040642 350302816 /nfs/dbraw/zinc/30/28/16/350302816.db2.gz OXFUGFRQSJAAKL-UHFFFAOYSA-N 1 3 238.762 2.224 20 0 BEADHO Clc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000038040642 350302820 /nfs/dbraw/zinc/30/28/20/350302820.db2.gz OXFUGFRQSJAAKL-UHFFFAOYSA-N 1 3 238.762 2.224 20 0 BEADHO CCC(CC)(CC)C[NH2+]C[C@@H](C)CN ZINC000391130402 350465836 /nfs/dbraw/zinc/46/58/36/350465836.db2.gz GBSRHPWICBAIEA-NSHDSACASA-N 1 3 200.370 2.387 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC000163172196 350509169 /nfs/dbraw/zinc/50/91/69/350509169.db2.gz GZEWUYAOGDGPGK-ZIAGYGMSSA-N 1 3 248.370 2.125 20 0 BEADHO CC[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000060720695 350498714 /nfs/dbraw/zinc/49/87/14/350498714.db2.gz NNLSWNZYQXHCHB-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CCN(CCC[NH3+])[C@H]2CCCC[C@H]12 ZINC000577481863 365964033 /nfs/dbraw/zinc/96/40/33/365964033.db2.gz GGONNHQUKJXBBT-UPJWGTAASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@H]1CCCN1 ZINC000400656598 362963323 /nfs/dbraw/zinc/96/33/23/362963323.db2.gz RAVSBGBICMONQP-TUAOUCFPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@H]1CCCN1 ZINC000400656583 362964050 /nfs/dbraw/zinc/96/40/50/362964050.db2.gz RAVSBGBICMONQP-QJPTWQEYSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000252715905 538100754 /nfs/dbraw/zinc/10/07/54/538100754.db2.gz XAYYSTZSAJEYPP-UBHSHLNASA-N 1 3 222.376 2.391 20 0 BEADHO CCN1CC[C@H](C[NH2+]CC2CCSCC2)C1 ZINC000638382173 352193775 /nfs/dbraw/zinc/19/37/75/352193775.db2.gz SSDRGVCLVUUSPD-CYBMUJFWSA-N 1 3 242.432 2.061 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408354 352213796 /nfs/dbraw/zinc/21/37/96/352213796.db2.gz AHEYAVYEWULFAT-UTUOFQBUSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408354 352213797 /nfs/dbraw/zinc/21/37/97/352213797.db2.gz AHEYAVYEWULFAT-UTUOFQBUSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408354 352213801 /nfs/dbraw/zinc/21/38/01/352213801.db2.gz AHEYAVYEWULFAT-UTUOFQBUSA-N 1 3 246.345 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000638409119 352219080 /nfs/dbraw/zinc/21/90/80/352219080.db2.gz JIAWTVFEPBANFB-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000086401860 538104126 /nfs/dbraw/zinc/10/41/26/538104126.db2.gz GUBGSODFOXBQMU-PYNQCMFNSA-N 1 3 210.365 2.425 20 0 BEADHO COC1([C@H](C)[NH2+]CC[C@H]2CCCN2C)CCC1 ZINC000412026406 191240216 /nfs/dbraw/zinc/24/02/16/191240216.db2.gz SFFFXFRNNJKUTF-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@H](C)NCC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000412026406 191240218 /nfs/dbraw/zinc/24/02/18/191240218.db2.gz SFFFXFRNNJKUTF-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@H](C)NCC[C@H]2CCC[N@H+]2C)CCC1 ZINC000412026406 191240220 /nfs/dbraw/zinc/24/02/20/191240220.db2.gz SFFFXFRNNJKUTF-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO CC[NH+](CC)CCCNC[C@](C)(OC)C1CC1 ZINC000638863766 353037733 /nfs/dbraw/zinc/03/77/33/353037733.db2.gz MGUDFHMBMZZSMD-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@](C)(OC)C1CC1 ZINC000638863766 353037736 /nfs/dbraw/zinc/03/77/36/353037736.db2.gz MGUDFHMBMZZSMD-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000300831790 188001723 /nfs/dbraw/zinc/00/17/23/188001723.db2.gz CCWIQMWOKXTLTP-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000300831790 188001724 /nfs/dbraw/zinc/00/17/24/188001724.db2.gz CCWIQMWOKXTLTP-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300831790 188001726 /nfs/dbraw/zinc/00/17/26/188001726.db2.gz CCWIQMWOKXTLTP-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336768648 353281332 /nfs/dbraw/zinc/28/13/32/353281332.db2.gz RDVAMBYRMFCXIC-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CS[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252951168 353313101 /nfs/dbraw/zinc/31/31/01/353313101.db2.gz DPCXQIVTHOEXAU-FDYHWXHSSA-N 1 3 242.432 2.248 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000306073397 188328939 /nfs/dbraw/zinc/32/89/39/188328939.db2.gz DNFJOCUWIWKGKC-JARUQAPTSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCN ZINC000308851065 188341266 /nfs/dbraw/zinc/34/12/66/188341266.db2.gz RGWMNOWTMHRVHI-NEPJUHHUSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCSC1 ZINC000231348340 353595125 /nfs/dbraw/zinc/59/51/25/353595125.db2.gz LFRXWXHHKJRCCX-FRRDWIJNSA-N 1 3 242.432 2.392 20 0 BEADHO CCC[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106238 353613254 /nfs/dbraw/zinc/61/32/54/353613254.db2.gz XLRLXKYMIRCJJE-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106238 353613256 /nfs/dbraw/zinc/61/32/56/353613256.db2.gz XLRLXKYMIRCJJE-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@@H](CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106238 353613257 /nfs/dbraw/zinc/61/32/57/353613257.db2.gz XLRLXKYMIRCJJE-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000232539853 353736889 /nfs/dbraw/zinc/73/68/89/353736889.db2.gz MQKKMWKSATVTFO-AWEZNQCLSA-N 1 3 224.392 2.354 20 0 BEADHO Fc1ccccc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000128854185 181011498 /nfs/dbraw/zinc/01/14/98/181011498.db2.gz BZJCLIUJWDEHCT-CYBMUJFWSA-N 1 3 236.334 2.100 20 0 BEADHO COCC(C)(C)CN(C)CCC[NH+]1CCCC1 ZINC000343602344 353931121 /nfs/dbraw/zinc/93/11/21/353931121.db2.gz KRQPVUGHTOZYNE-UHFFFAOYSA-N 1 3 242.407 2.077 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170767 354125500 /nfs/dbraw/zinc/12/55/00/354125500.db2.gz XOMWPJIQSGXCFW-TUAOUCFPSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170767 354125503 /nfs/dbraw/zinc/12/55/03/354125503.db2.gz XOMWPJIQSGXCFW-TUAOUCFPSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170767 354125506 /nfs/dbraw/zinc/12/55/06/354125506.db2.gz XOMWPJIQSGXCFW-TUAOUCFPSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170766 354125853 /nfs/dbraw/zinc/12/58/53/354125853.db2.gz XOMWPJIQSGXCFW-SRVKXCTJSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170766 354125856 /nfs/dbraw/zinc/12/58/56/354125856.db2.gz XOMWPJIQSGXCFW-SRVKXCTJSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000639170766 354125857 /nfs/dbraw/zinc/12/58/57/354125857.db2.gz XOMWPJIQSGXCFW-SRVKXCTJSA-N 1 3 246.345 2.350 20 0 BEADHO CCC[C@H](C)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000231463821 363344360 /nfs/dbraw/zinc/34/43/60/363344360.db2.gz KPBLXDDUQMBHBY-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](C)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000231463821 363344365 /nfs/dbraw/zinc/34/43/65/363344365.db2.gz KPBLXDDUQMBHBY-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)[C@H](CN(CC)CCC[NH+](C)C)OC ZINC000639175024 354190791 /nfs/dbraw/zinc/19/07/91/354190791.db2.gz GNOBGTUDKUDURI-KGLIPLIRSA-N 1 3 244.423 2.321 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743390 202017888 /nfs/dbraw/zinc/01/78/88/202017888.db2.gz XFZJFYVDUMPKFH-AJNGGQMLSA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743390 202017891 /nfs/dbraw/zinc/01/78/91/202017891.db2.gz XFZJFYVDUMPKFH-AJNGGQMLSA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743390 202017895 /nfs/dbraw/zinc/01/78/95/202017895.db2.gz XFZJFYVDUMPKFH-AJNGGQMLSA-N 1 3 234.387 2.249 20 0 BEADHO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000334650440 354443253 /nfs/dbraw/zinc/44/32/53/354443253.db2.gz GLRRMWLGUQLKRC-HIFRSBDPSA-N 1 3 245.370 2.317 20 0 BEADHO CCc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccn1 ZINC000334650440 354443254 /nfs/dbraw/zinc/44/32/54/354443254.db2.gz GLRRMWLGUQLKRC-HIFRSBDPSA-N 1 3 245.370 2.317 20 0 BEADHO C[C@H]1CCSCCN1CC[C@@H]1CCC[N@H+]1C ZINC000335938088 134013087 /nfs/dbraw/zinc/01/30/87/134013087.db2.gz OAFKSKFMSOHTBF-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCN1 ZINC000335128252 354775177 /nfs/dbraw/zinc/77/51/77/354775177.db2.gz GHDFMJRELIIYNO-RYUDHWBXSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCCC1(C)C)C1CNC1 ZINC000335145918 354856495 /nfs/dbraw/zinc/85/64/95/354856495.db2.gz JRYBAXWVULJNIO-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](N)C1 ZINC000346034012 354862649 /nfs/dbraw/zinc/86/26/49/354862649.db2.gz DQZGZHSCMXTHEQ-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](N)C1 ZINC000346034012 354862650 /nfs/dbraw/zinc/86/26/50/354862650.db2.gz DQZGZHSCMXTHEQ-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO Cc1cccc(C)c1CN[C@@H](C)CC[NH3+] ZINC000235086721 363437653 /nfs/dbraw/zinc/43/76/53/363437653.db2.gz LZJVGEIRTFKPBG-LBPRGKRZSA-N 1 3 206.333 2.130 20 0 BEADHO C1CC2(CCCC2)[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000335177544 354947662 /nfs/dbraw/zinc/94/76/62/354947662.db2.gz IRNSGHPRAMGQNC-NWDGAFQWSA-N 1 3 208.349 2.051 20 0 BEADHO [NH3+]CC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000335227907 355070075 /nfs/dbraw/zinc/07/00/75/355070075.db2.gz BJIXJGFNIJHCTR-OAHLLOKOSA-N 1 3 248.345 2.484 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000335217870 355056307 /nfs/dbraw/zinc/05/63/07/355056307.db2.gz MDHNVSLRAMQJGP-RYUDHWBXSA-N 1 3 224.373 2.498 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccs1 ZINC000335219642 355059322 /nfs/dbraw/zinc/05/93/22/355059322.db2.gz UNCJWUNSANICJT-CMPLNLGQSA-N 1 3 224.373 2.226 20 0 BEADHO COc1ccc([C@H]2CC[N@H+](CC(C)(C)N)C2)cc1 ZINC000346828872 355128514 /nfs/dbraw/zinc/12/85/14/355128514.db2.gz JEKLYWHNQVKPEC-ZDUSSCGKSA-N 1 3 248.370 2.222 20 0 BEADHO COc1ccc([C@H]2CC[N@@H+](CC(C)(C)N)C2)cc1 ZINC000346828872 355128516 /nfs/dbraw/zinc/12/85/16/355128516.db2.gz JEKLYWHNQVKPEC-ZDUSSCGKSA-N 1 3 248.370 2.222 20 0 BEADHO CC[C@]1(C)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346977892 355211795 /nfs/dbraw/zinc/21/17/95/355211795.db2.gz NECZOWBPQOIPNF-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@]1(C)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346977892 355211797 /nfs/dbraw/zinc/21/17/97/355211797.db2.gz NECZOWBPQOIPNF-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC000352003346 134034897 /nfs/dbraw/zinc/03/48/97/134034897.db2.gz LLXTYQZFSNGIHB-RYUDHWBXSA-N 1 3 216.344 2.008 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352003346 134034898 /nfs/dbraw/zinc/03/48/98/134034898.db2.gz LLXTYQZFSNGIHB-RYUDHWBXSA-N 1 3 216.344 2.008 20 0 BEADHO CC[C@H](CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)OC ZINC000412975346 191347063 /nfs/dbraw/zinc/34/70/63/191347063.db2.gz FQWNLYLJSXVHRP-HZSPNIEDSA-N 1 3 242.407 2.216 20 0 BEADHO CC[C@H](CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)OC ZINC000412975346 191347065 /nfs/dbraw/zinc/34/70/65/191347065.db2.gz FQWNLYLJSXVHRP-HZSPNIEDSA-N 1 3 242.407 2.216 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000216365028 355358338 /nfs/dbraw/zinc/35/83/38/355358338.db2.gz KVAQJPABYDRHAN-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000216365028 355358340 /nfs/dbraw/zinc/35/83/40/355358340.db2.gz KVAQJPABYDRHAN-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO [NH3+]C[C@H]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000415030708 191657717 /nfs/dbraw/zinc/65/77/17/191657717.db2.gz FWWBSKCKDJMUOO-CABZTGNLSA-N 1 3 240.297 2.182 20 0 BEADHO Cc1ncccc1CN1CCC(C[NH+](C)C)CC1 ZINC000350151005 355616824 /nfs/dbraw/zinc/61/68/24/355616824.db2.gz WUIZYYGAXSTGSG-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO CCOc1cccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000215955892 355619272 /nfs/dbraw/zinc/61/92/72/355619272.db2.gz FQZNAAUGYWLEPT-JSGCOSHPSA-N 1 3 248.370 2.254 20 0 BEADHO C[N@@H+]1CC[C@]2(CCN([C@@H]3C=CCCC3)C2)C1 ZINC000335887760 355679941 /nfs/dbraw/zinc/67/99/41/355679941.db2.gz CFBLXFVFIGLAGK-KGLIPLIRSA-N 1 3 220.360 2.123 20 0 BEADHO C[N@H+]1CC[C@]2(CCN([C@@H]3C=CCCC3)C2)C1 ZINC000335887760 355679942 /nfs/dbraw/zinc/67/99/42/355679942.db2.gz CFBLXFVFIGLAGK-KGLIPLIRSA-N 1 3 220.360 2.123 20 0 BEADHO CC[C@](C)(C[NH2+]C[C@H]1CCCCN(C)C1)OC ZINC000639345774 355791879 /nfs/dbraw/zinc/79/18/79/355791879.db2.gz ACOBQQIGVLEMGR-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@](C)(CNC[C@H]1CCCC[N@H+](C)C1)OC ZINC000639345774 355791882 /nfs/dbraw/zinc/79/18/82/355791882.db2.gz ACOBQQIGVLEMGR-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@](C)(CNC[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639345774 355791887 /nfs/dbraw/zinc/79/18/87/355791887.db2.gz ACOBQQIGVLEMGR-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(C[NH2+]C[C@H]1CCCCN(C)C1)OC ZINC000639345772 355791977 /nfs/dbraw/zinc/79/19/77/355791977.db2.gz ACOBQQIGVLEMGR-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(CNC[C@H]1CCCC[N@H+](C)C1)OC ZINC000639345772 355791978 /nfs/dbraw/zinc/79/19/78/355791978.db2.gz ACOBQQIGVLEMGR-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(CNC[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639345772 355791980 /nfs/dbraw/zinc/79/19/80/355791980.db2.gz ACOBQQIGVLEMGR-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)CS1 ZINC000639346598 355793544 /nfs/dbraw/zinc/79/35/44/355793544.db2.gz HMKUZJWSOYHEFS-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO CCOc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216029051 355797964 /nfs/dbraw/zinc/79/79/64/355797964.db2.gz WGAVVGBFHSRTLX-JSGCOSHPSA-N 1 3 248.370 2.254 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000582228973 355992675 /nfs/dbraw/zinc/99/26/75/355992675.db2.gz GKVSWVXCHYJPNZ-KGLIPLIRSA-N 1 3 240.391 2.053 20 0 BEADHO C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[NH2+]1 ZINC000216495194 355996706 /nfs/dbraw/zinc/99/67/06/355996706.db2.gz YYEHWKSTTLJKKR-DUTNFGBUSA-N 1 3 234.387 2.153 20 0 BEADHO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CCCN1 ZINC000216495194 355996708 /nfs/dbraw/zinc/99/67/08/355996708.db2.gz YYEHWKSTTLJKKR-DUTNFGBUSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000420281781 192199780 /nfs/dbraw/zinc/19/97/80/192199780.db2.gz AJWSCCZZTMMPFP-MJBXVCDLSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCc2ccncc2)C1 ZINC000420292677 192202575 /nfs/dbraw/zinc/20/25/75/192202575.db2.gz PVJXNQJUOOGUTD-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO NCCC[N@H+](CCCF)CC1CCCC1 ZINC000420316338 192213457 /nfs/dbraw/zinc/21/34/57/192213457.db2.gz NKUITXHZDADBOJ-UHFFFAOYSA-N 1 3 216.344 2.187 20 0 BEADHO NCCC[N@@H+](CCCF)CC1CCCC1 ZINC000420316338 192213458 /nfs/dbraw/zinc/21/34/58/192213458.db2.gz NKUITXHZDADBOJ-UHFFFAOYSA-N 1 3 216.344 2.187 20 0 BEADHO CCc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000420304423 192208356 /nfs/dbraw/zinc/20/83/56/192208356.db2.gz IVTUGGSHVZTNOS-UHFFFAOYSA-N 1 3 218.344 2.220 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CCCCCF ZINC000420372066 192228871 /nfs/dbraw/zinc/22/88/71/192228871.db2.gz XWJAYLUNYWXDQB-LLVKDONJSA-N 1 3 216.344 2.104 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CCCCCF ZINC000420372067 192230479 /nfs/dbraw/zinc/23/04/79/192230479.db2.gz XWJAYLUNYWXDQB-NSHDSACASA-N 1 3 216.344 2.104 20 0 BEADHO CNCCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000420395542 192237327 /nfs/dbraw/zinc/23/73/27/192237327.db2.gz DMSQANOYWNOLPB-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)C(C)(C)c1ccccc1 ZINC000420411527 192239118 /nfs/dbraw/zinc/23/91/18/192239118.db2.gz RTDGAHDIGOZBKI-VXGBXAGGSA-N 1 3 220.360 2.290 20 0 BEADHO C[C@H](N)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420410158 192239638 /nfs/dbraw/zinc/23/96/38/192239638.db2.gz RDDWRYMFLLYILQ-KCQAQPDRSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@H]1CCN(Cc2cccs2)C[C@@H]1C[NH3+] ZINC000167598974 134118863 /nfs/dbraw/zinc/11/88/63/134118863.db2.gz GOSSCKJLDSKVQF-QWRGUYRKSA-N 1 3 224.373 2.165 20 0 BEADHO CCCCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249613228 535313369 /nfs/dbraw/zinc/31/33/69/535313369.db2.gz IFZFBRCSFFJZCR-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO CCCCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000249613228 535313372 /nfs/dbraw/zinc/31/33/72/535313372.db2.gz IFZFBRCSFFJZCR-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)C ZINC000422945027 192512650 /nfs/dbraw/zinc/51/26/50/192512650.db2.gz SYMRZDWZPXWVTN-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC)C1 ZINC000223496045 535326726 /nfs/dbraw/zinc/32/67/26/535326726.db2.gz QMZLCKLSOMTUCN-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CCC[C@@H](CNC)C1 ZINC000223496045 535326729 /nfs/dbraw/zinc/32/67/29/535326729.db2.gz QMZLCKLSOMTUCN-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@@H](C)CN1CCC[C@@H](C[NH2+]C)C1 ZINC000223496045 535326731 /nfs/dbraw/zinc/32/67/31/535326731.db2.gz QMZLCKLSOMTUCN-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CCc1cc(NCCC[NH+]2CCCCC2)ccn1 ZINC000450230028 202101639 /nfs/dbraw/zinc/10/16/39/202101639.db2.gz YQOIBHXEKUKANN-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000563951295 356664973 /nfs/dbraw/zinc/66/49/73/356664973.db2.gz XUXHHLIASPAJBJ-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO CCC[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423144611 192586411 /nfs/dbraw/zinc/58/64/11/192586411.db2.gz HNAXCDXNLUJMLK-FRRDWIJNSA-N 1 3 228.380 2.051 20 0 BEADHO C[NH+](C)C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450408141 202156531 /nfs/dbraw/zinc/15/65/31/202156531.db2.gz VFBVJJBRAKYHHP-NWDGAFQWSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1cccc(F)c1F ZINC000583681132 356707002 /nfs/dbraw/zinc/70/70/02/356707002.db2.gz DLTZAVHOXOWCOR-VIFPVBQESA-N 1 3 228.286 2.182 20 0 BEADHO CCCN(C)CC[C@@H](C)[N@H+](C)CCC ZINC000153331336 538568383 /nfs/dbraw/zinc/56/83/83/538568383.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCCN(C)CC[C@@H](C)[N@@H+](C)CCC ZINC000153331336 538568391 /nfs/dbraw/zinc/56/83/91/538568391.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCCN(C)[C@H](C)CC[N@H+](C)CCC ZINC000153331336 538568396 /nfs/dbraw/zinc/56/83/96/538568396.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCCN(C)[C@H](C)CC[N@@H+](C)CCC ZINC000153331336 538568405 /nfs/dbraw/zinc/56/84/05/538568405.db2.gz CLEUYPOQRBDAEB-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCN1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC000355878016 356780177 /nfs/dbraw/zinc/78/01/77/356780177.db2.gz HEPWFMGHKMGBOK-UHFFFAOYSA-N 1 3 238.297 2.355 20 0 BEADHO CCN1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC000355878016 356780180 /nfs/dbraw/zinc/78/01/80/356780180.db2.gz HEPWFMGHKMGBOK-UHFFFAOYSA-N 1 3 238.297 2.355 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cn1 ZINC000623360544 356804711 /nfs/dbraw/zinc/80/47/11/356804711.db2.gz NTHZAPBZPHSYNW-CQSZACIVSA-N 1 3 247.386 2.352 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)C1CNC1 ZINC000423168708 192604749 /nfs/dbraw/zinc/60/47/49/192604749.db2.gz HYRVUPQRWCCGIA-VHRBIJSZSA-N 1 3 222.376 2.010 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536715 491104885 /nfs/dbraw/zinc/10/48/85/491104885.db2.gz ZIIAFQBUEKTEAG-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C([C@H]1CCCCNC1)[NH+]1CCCCCC1 ZINC000257651213 538739509 /nfs/dbraw/zinc/73/95/09/538739509.db2.gz GAKLNLFHTKMVHK-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NCCC[NH3+])CCC2 ZINC000423196844 192622359 /nfs/dbraw/zinc/62/23/59/192622359.db2.gz WPECGYWDIFQOIY-AWEZNQCLSA-N 1 3 218.344 2.311 20 0 BEADHO C[C@@H](C[NH2+]C1CCC(C)CC1)CN(C)C ZINC000389641876 357007873 /nfs/dbraw/zinc/00/78/73/357007873.db2.gz QVXWOAZULLXRDX-CPCZMJQVSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@@H]1CCC[C@H](C[N@H+](C)CCCN)C1 ZINC000394504800 357363231 /nfs/dbraw/zinc/36/32/31/357363231.db2.gz FCASSFUWLJELPC-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]1CCC[C@H](C[N@@H+](C)CCCN)C1 ZINC000394504800 357363233 /nfs/dbraw/zinc/36/32/33/357363233.db2.gz FCASSFUWLJELPC-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]1CCC[C@H](CN(C)CCC[NH3+])C1 ZINC000394504800 357363234 /nfs/dbraw/zinc/36/32/34/357363234.db2.gz FCASSFUWLJELPC-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000582915657 357436039 /nfs/dbraw/zinc/43/60/39/357436039.db2.gz IJSIHIILWSZDFG-VXGBXAGGSA-N 1 3 238.400 2.459 20 0 BEADHO Cc1ccsc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582915657 357436041 /nfs/dbraw/zinc/43/60/41/357436041.db2.gz IJSIHIILWSZDFG-VXGBXAGGSA-N 1 3 238.400 2.459 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423302872 192690386 /nfs/dbraw/zinc/69/03/86/192690386.db2.gz WDRWGJOWWFVCHZ-WFASDCNBSA-N 1 3 232.371 2.192 20 0 BEADHO CC(C)CSCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000397364322 357513641 /nfs/dbraw/zinc/51/36/41/357513641.db2.gz YOBOWTSRLPYYAW-NWDGAFQWSA-N 1 3 230.421 2.235 20 0 BEADHO Cc1cnccc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397487375 357515882 /nfs/dbraw/zinc/51/58/82/357515882.db2.gz WHIJTFVAPMHXQS-LNSITVRQSA-N 1 3 247.386 2.195 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000159978955 538881067 /nfs/dbraw/zinc/88/10/67/538881067.db2.gz SDFPXNQBIRETAY-KWCYVHTRSA-N 1 3 222.376 2.249 20 0 BEADHO CCC(=O)CCCN1CCC(C[NH+](C)C)CC1 ZINC000232851965 357685119 /nfs/dbraw/zinc/68/51/19/357685119.db2.gz NQRXHAAZJYNTSK-UHFFFAOYSA-N 1 3 240.391 2.019 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000583316291 357898443 /nfs/dbraw/zinc/89/84/43/357898443.db2.gz FOGQWMHTUOMUTO-OLZOCXBDSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CC[C@@H]1C(C)C ZINC000583316291 357898447 /nfs/dbraw/zinc/89/84/47/357898447.db2.gz FOGQWMHTUOMUTO-OLZOCXBDSA-N 1 3 212.381 2.399 20 0 BEADHO CCc1ccc(C[NH2+]C[C@H](N)C2CC2)s1 ZINC000399233999 357899757 /nfs/dbraw/zinc/89/97/57/357899757.db2.gz DCACKGMRIQXPGB-LBPRGKRZSA-N 1 3 224.373 2.137 20 0 BEADHO CC(C)=CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261561820 535371258 /nfs/dbraw/zinc/37/12/58/535371258.db2.gz AWPLBJJNGHPMOS-MGPQQGTHSA-N 1 3 222.376 2.463 20 0 BEADHO CCCCOCC[N@@H+]1CC2CCC1(CN)CC2 ZINC000584479686 357996747 /nfs/dbraw/zinc/99/67/47/357996747.db2.gz CPSSENYOWASUSX-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO CCCCOCC[N@H+]1CC2CCC1(CN)CC2 ZINC000584479686 357996751 /nfs/dbraw/zinc/99/67/51/357996751.db2.gz CPSSENYOWASUSX-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO Cc1ccsc1CN[C@@H]1CCC[NH2+]CC1 ZINC000168771620 134247745 /nfs/dbraw/zinc/24/77/45/134247745.db2.gz UTVHXAAMPYIYDO-LLVKDONJSA-N 1 3 224.373 2.288 20 0 BEADHO CCN(CC)CCC[NH2+]C(C1CC1)C1CC1 ZINC000036984067 358054829 /nfs/dbraw/zinc/05/48/29/358054829.db2.gz JPLFRQRPNCBRMS-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO c1cc(CCN[C@H]2CCC[NH2+]CC2)cs1 ZINC000168737173 134248025 /nfs/dbraw/zinc/24/80/25/134248025.db2.gz PRHXSLGVSFULGJ-LBPRGKRZSA-N 1 3 224.373 2.022 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222907660 358216418 /nfs/dbraw/zinc/21/64/18/358216418.db2.gz JPLZWDBXRKWRSG-JHJVBQTASA-N 1 3 236.359 2.460 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222907660 358216421 /nfs/dbraw/zinc/21/64/21/358216421.db2.gz JPLZWDBXRKWRSG-JHJVBQTASA-N 1 3 236.359 2.460 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000224969801 358243451 /nfs/dbraw/zinc/24/34/51/358243451.db2.gz KUSBPPIWHCNXCD-STQMWFEESA-N 1 3 228.380 2.051 20 0 BEADHO C[C@H](CCN(C)CCC[NH3+])c1ccccc1 ZINC000227744515 358362942 /nfs/dbraw/zinc/36/29/42/358362942.db2.gz KODNGUBUBKGHTO-CYBMUJFWSA-N 1 3 220.360 2.461 20 0 BEADHO C[C@H](CC[N@H+](C)CCCN)c1ccccc1 ZINC000227744515 358362946 /nfs/dbraw/zinc/36/29/46/358362946.db2.gz KODNGUBUBKGHTO-CYBMUJFWSA-N 1 3 220.360 2.461 20 0 BEADHO C[C@H](CC[N@@H+](C)CCCN)c1ccccc1 ZINC000227744515 358362948 /nfs/dbraw/zinc/36/29/48/358362948.db2.gz KODNGUBUBKGHTO-CYBMUJFWSA-N 1 3 220.360 2.461 20 0 BEADHO C[C@]1(C[NH3+])CCN(CCCOc2ccccc2)C1 ZINC000235706936 358447837 /nfs/dbraw/zinc/44/78/37/358447837.db2.gz OOTMFISGQXQRMT-OAHLLOKOSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@]1(CN)CC[N@H+](CCCOc2ccccc2)C1 ZINC000235706936 358447841 /nfs/dbraw/zinc/44/78/41/358447841.db2.gz OOTMFISGQXQRMT-OAHLLOKOSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CCCOc2ccccc2)C1 ZINC000235706936 358447845 /nfs/dbraw/zinc/44/78/45/358447845.db2.gz OOTMFISGQXQRMT-OAHLLOKOSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@H](CC[N@@H+]1CCCNCC1)c1ccccc1 ZINC000043536054 358540525 /nfs/dbraw/zinc/54/05/25/358540525.db2.gz KDLFGRFGSCXCDR-CQSZACIVSA-N 1 3 232.371 2.476 20 0 BEADHO C[C@H](CC[N@H+]1CCCNCC1)c1ccccc1 ZINC000043536054 358540528 /nfs/dbraw/zinc/54/05/28/358540528.db2.gz KDLFGRFGSCXCDR-CQSZACIVSA-N 1 3 232.371 2.476 20 0 BEADHO CC[C@H]1CCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000219319204 134281442 /nfs/dbraw/zinc/28/14/42/134281442.db2.gz ADUSIJYVSWWVMT-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[NH+]1CCC(NCCOCCC(C)C)CC1 ZINC000045093813 358558756 /nfs/dbraw/zinc/55/87/56/358558756.db2.gz XWZILEBUFVJIRQ-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000132416712 491135910 /nfs/dbraw/zinc/13/59/10/491135910.db2.gz XAYYSTZSAJEYPP-FPMFFAJLSA-N 1 3 222.376 2.391 20 0 BEADHO COCCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132066850 358705093 /nfs/dbraw/zinc/70/50/93/358705093.db2.gz JDYKFXWSYOCZJK-UONOGXRCSA-N 1 3 234.343 2.147 20 0 BEADHO COC[C@H](C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132078095 358705419 /nfs/dbraw/zinc/70/54/19/358705419.db2.gz UKTPNPCHGRIBIU-SWHYSGLUSA-N 1 3 234.343 2.003 20 0 BEADHO CC[C@H](CCO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000134355865 358787588 /nfs/dbraw/zinc/78/75/88/358787588.db2.gz UFPOFZRAOFJBBF-MCIONIFRSA-N 1 3 242.407 2.048 20 0 BEADHO CC(C)Oc1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000136138055 358864964 /nfs/dbraw/zinc/86/49/64/358864964.db2.gz KSQJLJYDYLVRLM-LBPRGKRZSA-N 1 3 236.359 2.301 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccsc2)C1 ZINC000086403618 358968125 /nfs/dbraw/zinc/96/81/25/358968125.db2.gz LDWGYNNUBMCVPM-VXGBXAGGSA-N 1 3 224.373 2.150 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCN1 ZINC000423388095 192761742 /nfs/dbraw/zinc/76/17/42/192761742.db2.gz SYHSYSLOHDTQTQ-FMKGYKFTSA-N 1 3 222.376 2.295 20 0 BEADHO CO[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623436965 359330047 /nfs/dbraw/zinc/33/00/47/359330047.db2.gz LSXRXXOVEQABHH-OLZOCXBDSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436965 359330052 /nfs/dbraw/zinc/33/00/52/359330052.db2.gz LSXRXXOVEQABHH-OLZOCXBDSA-N 1 3 242.407 2.120 20 0 BEADHO COCCC[C@@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423379713 192755773 /nfs/dbraw/zinc/75/57/73/192755773.db2.gz GUBIERMILJOULR-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423437542 192769763 /nfs/dbraw/zinc/76/97/63/192769763.db2.gz UIDXNJBAQSNVQX-RFQIPJPRSA-N 1 3 222.376 2.153 20 0 BEADHO c1ccc([C@H]2CC[C@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423459076 192777162 /nfs/dbraw/zinc/77/71/62/192777162.db2.gz RCTSXJJJGFWJLV-RFBLXINOSA-N 1 3 242.366 2.130 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCC2=CCCCC2)C1 ZINC000379591798 359557436 /nfs/dbraw/zinc/55/74/36/359557436.db2.gz YCMNUBHVPOMYFX-STQMWFEESA-N 1 3 208.349 2.346 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000379586397 359561402 /nfs/dbraw/zinc/56/14/02/359561402.db2.gz JMEUAZXHBHJUEH-OLZOCXBDSA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1=CCCCC1 ZINC000379586397 359561408 /nfs/dbraw/zinc/56/14/08/359561408.db2.gz JMEUAZXHBHJUEH-OLZOCXBDSA-N 1 3 208.349 2.204 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000578518763 366587147 /nfs/dbraw/zinc/58/71/47/366587147.db2.gz GTZOCALULGPTQT-YNEHKIRRSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H](CCc1ccco1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000578518763 366587150 /nfs/dbraw/zinc/58/71/50/366587150.db2.gz GTZOCALULGPTQT-YNEHKIRRSA-N 1 3 236.359 2.331 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+]CCCN)C12CCCCC2 ZINC000087298419 359906370 /nfs/dbraw/zinc/90/63/70/359906370.db2.gz NEZTVAFQEUMWLY-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO CCO[C@H]1C[C@@H](NCCC[NH3+])C12CCCCC2 ZINC000087298419 359906373 /nfs/dbraw/zinc/90/63/73/359906373.db2.gz NEZTVAFQEUMWLY-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO CC(C)(C[NH2+]C1CCNCC1)c1cccs1 ZINC000087619449 359921592 /nfs/dbraw/zinc/92/15/92/359921592.db2.gz WQOJFRBPJVZHHM-UHFFFAOYSA-N 1 3 238.400 2.367 20 0 BEADHO CC(C)(CNC1CC[NH2+]CC1)c1cccs1 ZINC000087619449 359921595 /nfs/dbraw/zinc/92/15/95/359921595.db2.gz WQOJFRBPJVZHHM-UHFFFAOYSA-N 1 3 238.400 2.367 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+]C[C@@H]1CCCNC1 ZINC000087646531 359922036 /nfs/dbraw/zinc/92/20/36/359922036.db2.gz POLMTHHCHVPMGL-NWDGAFQWSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](Cc1cccs1)NC[C@@H]1CCC[NH2+]C1 ZINC000087646531 359922042 /nfs/dbraw/zinc/92/20/42/359922042.db2.gz POLMTHHCHVPMGL-NWDGAFQWSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000578756850 366639863 /nfs/dbraw/zinc/63/98/63/366639863.db2.gz YMXWLPAYEUHOJH-WDEREUQCSA-N 1 3 239.388 2.183 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)C1 ZINC000578787449 366650542 /nfs/dbraw/zinc/65/05/42/366650542.db2.gz PEOVDXUUAZIOMO-KKOKHZNYSA-N 1 3 214.328 2.127 20 0 BEADHO CCOc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149828 359993632 /nfs/dbraw/zinc/99/36/32/359993632.db2.gz KMKUVOFNLRWKEV-UKRRQHHQSA-N 1 3 248.370 2.302 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCCOC1CCCCC1 ZINC000089150693 359993650 /nfs/dbraw/zinc/99/36/50/359993650.db2.gz WLEMJNDWGGERBG-TZMCWYRMSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000089150693 359993655 /nfs/dbraw/zinc/99/36/55/359993655.db2.gz WLEMJNDWGGERBG-TZMCWYRMSA-N 1 3 240.391 2.053 20 0 BEADHO CC(C)CCOCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000089145914 359993008 /nfs/dbraw/zinc/99/30/08/359993008.db2.gz RUVDUBCSPLZJKU-KBPBESRZSA-N 1 3 242.407 2.156 20 0 BEADHO CC(C)CCOCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000089145914 359993010 /nfs/dbraw/zinc/99/30/10/359993010.db2.gz RUVDUBCSPLZJKU-KBPBESRZSA-N 1 3 242.407 2.156 20 0 BEADHO COc1ccccc1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000089749236 360036595 /nfs/dbraw/zinc/03/65/95/360036595.db2.gz LSWBSPSXKBVGFI-ZDUSSCGKSA-N 1 3 248.370 2.127 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000089148168 359993986 /nfs/dbraw/zinc/99/39/86/359993986.db2.gz NHXDNWLPYGAZEF-GXTWGEPZSA-N 1 3 236.334 2.085 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000089150404 359993996 /nfs/dbraw/zinc/99/39/96/359993996.db2.gz VFKMFTFOCZBGEG-MFKMUULPSA-N 1 3 240.297 2.182 20 0 BEADHO CCOc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149831 359994062 /nfs/dbraw/zinc/99/40/62/359994062.db2.gz KMKUVOFNLRWKEV-ZFWWWQNUSA-N 1 3 248.370 2.302 20 0 BEADHO COCc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000089149879 359994229 /nfs/dbraw/zinc/99/42/29/359994229.db2.gz ZCGAEWAIUHBVFQ-WFASDCNBSA-N 1 3 248.370 2.050 20 0 BEADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000090219852 360066206 /nfs/dbraw/zinc/06/62/06/360066206.db2.gz RJYGCKZYEQMESY-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090219852 360066213 /nfs/dbraw/zinc/06/62/13/360066213.db2.gz RJYGCKZYEQMESY-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090219852 360066218 /nfs/dbraw/zinc/06/62/18/360066218.db2.gz RJYGCKZYEQMESY-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772695 360086681 /nfs/dbraw/zinc/08/66/81/360086681.db2.gz VUZHWDSIQVJVQA-ZIAGYGMSSA-N 1 3 234.387 2.393 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772695 360086683 /nfs/dbraw/zinc/08/66/83/360086683.db2.gz VUZHWDSIQVJVQA-ZIAGYGMSSA-N 1 3 234.387 2.393 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772695 360086687 /nfs/dbraw/zinc/08/66/87/360086687.db2.gz VUZHWDSIQVJVQA-ZIAGYGMSSA-N 1 3 234.387 2.393 20 0 BEADHO CC[C@H](COC)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516605 360255900 /nfs/dbraw/zinc/25/59/00/360255900.db2.gz QSJINEJGWISMFN-MCIONIFRSA-N 1 3 242.407 2.312 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@]2(C)CCCO2)CC1 ZINC000094797936 360318572 /nfs/dbraw/zinc/31/85/72/360318572.db2.gz CEWKCSDJBLDGIL-AWEZNQCLSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CCCO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000094941526 360326952 /nfs/dbraw/zinc/32/69/52/360326952.db2.gz WSMNXFQKBUBUOV-RDBSUJKOSA-N 1 3 242.407 2.048 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN ZINC000414870689 200773366 /nfs/dbraw/zinc/77/33/66/200773366.db2.gz CDUSHZDIAVOZLV-JSGCOSHPSA-N 1 3 220.360 2.192 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000629390395 361037714 /nfs/dbraw/zinc/03/77/14/361037714.db2.gz DXGNJMGBZWWQMZ-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000629405445 361052758 /nfs/dbraw/zinc/05/27/58/361052758.db2.gz AYJPMSABMZYCFG-TUAOUCFPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000629406517 361054758 /nfs/dbraw/zinc/05/47/58/361054758.db2.gz NGTSEZQKCRAKBU-SDDRHHMPSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000629527490 361131134 /nfs/dbraw/zinc/13/11/34/361131134.db2.gz WYYVEOFBDTYNHN-KGYLQXTDSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CC=CCC1 ZINC000629531542 361148632 /nfs/dbraw/zinc/14/86/32/361148632.db2.gz OJDQRRKFLCFWSR-XQQFMLRXSA-N 1 3 210.365 2.448 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CC=CCC1 ZINC000629531543 361149026 /nfs/dbraw/zinc/14/90/26/361149026.db2.gz OJDQRRKFLCFWSR-YNEHKIRRSA-N 1 3 210.365 2.448 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CC=CCC1 ZINC000629531540 361149408 /nfs/dbraw/zinc/14/94/08/361149408.db2.gz OJDQRRKFLCFWSR-AVGNSLFASA-N 1 3 210.365 2.448 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+]CC2(N)CCOCC2)c1 ZINC000629524227 361122702 /nfs/dbraw/zinc/12/27/02/361122702.db2.gz OMBOFGAIFLFZPT-CYBMUJFWSA-N 1 3 248.370 2.154 20 0 BEADHO Cc1ccc(C(C)(C)CN[C@H](C)C[C@@H](C)[NH3+])nc1 ZINC000629524615 361124331 /nfs/dbraw/zinc/12/43/31/361124331.db2.gz UAPZYZPNVOJJMI-CHWSQXEVSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@@H](C)N)nc1 ZINC000629524615 361124337 /nfs/dbraw/zinc/12/43/37/361124337.db2.gz UAPZYZPNVOJJMI-CHWSQXEVSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1ccc(C(C)(C)CN[C@@H](C)C[C@@H](C)[NH3+])nc1 ZINC000629524616 361124877 /nfs/dbraw/zinc/12/48/77/361124877.db2.gz UAPZYZPNVOJJMI-OLZOCXBDSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N)nc1 ZINC000629524616 361124881 /nfs/dbraw/zinc/12/48/81/361124881.db2.gz UAPZYZPNVOJJMI-OLZOCXBDSA-N 1 3 249.402 2.383 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000622044445 370672836 /nfs/dbraw/zinc/67/28/36/370672836.db2.gz FSVHQJDOIGLPOY-PYNQCMFNSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](NCC[C@H]1CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000622043665 370674563 /nfs/dbraw/zinc/67/45/63/370674563.db2.gz HFLQJAMDQSNUNR-OUAUKWLOSA-N 1 3 232.318 2.152 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000429528148 201112456 /nfs/dbraw/zinc/11/24/56/201112456.db2.gz IPAWIRWBVBRHLC-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000429528148 201112458 /nfs/dbraw/zinc/11/24/58/201112458.db2.gz IPAWIRWBVBRHLC-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629537705 361401040 /nfs/dbraw/zinc/40/10/40/361401040.db2.gz LKRPSDSCAAWKGZ-OFTGVCEQSA-N 1 3 210.365 2.138 20 0 BEADHO NC1(C[NH2+][C@H]2CCCNc3ccccc32)CCC1 ZINC000333347961 181331997 /nfs/dbraw/zinc/33/19/97/181331997.db2.gz ZRRVQERFDAAHIB-AWEZNQCLSA-N 1 3 245.370 2.404 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]3C[C@@]32C)C[NH2+]1 ZINC000629534687 361408303 /nfs/dbraw/zinc/40/83/03/361408303.db2.gz ASCKGAMCRDVWDE-RGDJUOJXSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542709 361420160 /nfs/dbraw/zinc/42/01/60/361420160.db2.gz JOBIVGRTQJDJPN-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCCC1 ZINC000629544615 361423581 /nfs/dbraw/zinc/42/35/81/361423581.db2.gz BBQQULBFNCAUDD-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629546949 361429408 /nfs/dbraw/zinc/42/94/08/361429408.db2.gz QPCJULOIVBYSGC-VNHYZAJKSA-N 1 3 247.386 2.133 20 0 BEADHO CCC[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCC1 ZINC000629547268 361430515 /nfs/dbraw/zinc/43/05/15/361430515.db2.gz SKKJOUFVTXMNOU-UHTWSYAYSA-N 1 3 210.365 2.295 20 0 BEADHO CCC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCC1 ZINC000629547267 361430893 /nfs/dbraw/zinc/43/08/93/361430893.db2.gz SKKJOUFVTXMNOU-CYZMBNFOSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000629547690 361431813 /nfs/dbraw/zinc/43/18/13/361431813.db2.gz UIHLAJWMWMXRIL-IDWGSYCQSA-N 1 3 232.318 2.150 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555204 361446026 /nfs/dbraw/zinc/44/60/26/361446026.db2.gz RVCYJYJWITTZBO-RWMBFGLXSA-N 1 3 222.376 2.284 20 0 BEADHO C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]2C[C@H]2C1 ZINC000629541600 361416438 /nfs/dbraw/zinc/41/64/38/361416438.db2.gz XQOJYFZJVCZKEQ-SVNAVSNXSA-N 1 3 234.387 2.295 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2CC[C@H]2C2CCC2)C[NH2+]1 ZINC000629542549 361419184 /nfs/dbraw/zinc/41/91/84/361419184.db2.gz FPWFSIMJMDYYME-SAXRGWBVSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)CN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563983 361458628 /nfs/dbraw/zinc/45/86/28/361458628.db2.gz IUOSXGIKQBVYGU-ZJUUUORDSA-N 1 3 238.297 2.102 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000629602532 361493494 /nfs/dbraw/zinc/49/34/94/361493494.db2.gz GPTSINJZUNDCKL-DZGCQCFKSA-N 1 3 248.370 2.186 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CCCCC1)C2 ZINC000629584554 361473691 /nfs/dbraw/zinc/47/36/91/361473691.db2.gz RTPQWXCSFYAPPG-GASCZTMLSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)C[C@H]([NH3+])CNC[C@@H](C)c1ccncc1 ZINC000629656143 361561374 /nfs/dbraw/zinc/56/13/74/361561374.db2.gz OBCYOXTVMCFQCZ-OCCSQVGLSA-N 1 3 235.375 2.148 20 0 BEADHO CC(C)C[C@H](C)CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629660065 361564094 /nfs/dbraw/zinc/56/40/94/361564094.db2.gz NDLPBLUVMMBSCS-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CN)C1 ZINC000435378807 201264581 /nfs/dbraw/zinc/26/45/81/201264581.db2.gz KAPBGEUSQXXVEV-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](CN)C1 ZINC000435378807 201264583 /nfs/dbraw/zinc/26/45/83/201264583.db2.gz KAPBGEUSQXXVEV-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO CCCc1cccc(CN2CC[C@H](C[NH3+])C2)c1 ZINC000435368855 201266474 /nfs/dbraw/zinc/26/64/74/201266474.db2.gz JLIQTFIXPGMBCB-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO C[NH2+]C[C@@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000435377073 201266545 /nfs/dbraw/zinc/26/65/45/201266545.db2.gz XUHHPSSGITZWTN-ZBFHGGJFSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435377073 201266547 /nfs/dbraw/zinc/26/65/47/201266547.db2.gz XUHHPSSGITZWTN-ZBFHGGJFSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435377073 201266548 /nfs/dbraw/zinc/26/65/48/201266548.db2.gz XUHHPSSGITZWTN-ZBFHGGJFSA-N 1 3 246.398 2.407 20 0 BEADHO C[C@@H](Cc1ccccc1)CN1CCC([NH3+])CC1 ZINC000435398009 201270367 /nfs/dbraw/zinc/27/03/67/201270367.db2.gz LYGBNGNJQJDUGP-ZDUSSCGKSA-N 1 3 232.371 2.288 20 0 BEADHO C[NH2+]CCCN1CCC[C@H]1Cc1ccccc1 ZINC000435871038 201290340 /nfs/dbraw/zinc/29/03/40/201290340.db2.gz ISWQWQGWRUKNOI-HNNXBMFYSA-N 1 3 232.371 2.303 20 0 BEADHO [NH3+]C1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000020521555 181345234 /nfs/dbraw/zinc/34/52/34/181345234.db2.gz DWAXSSDWUGOQTM-HNNXBMFYSA-N 1 3 230.355 2.487 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+]CCCN)cc1 ZINC000437782594 201371628 /nfs/dbraw/zinc/37/16/28/201371628.db2.gz GJODOUWYJXOMMQ-ZDUSSCGKSA-N 1 3 220.360 2.255 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000437779777 201371757 /nfs/dbraw/zinc/37/17/57/201371757.db2.gz CAJVAUYCYWRIBJ-UONOGXRCSA-N 1 3 218.344 2.261 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000437793045 201373447 /nfs/dbraw/zinc/37/34/47/201373447.db2.gz MSIDOQKCNOZYRK-UONOGXRCSA-N 1 3 236.334 2.400 20 0 BEADHO CC[C@@H](C)C[NH+]1CCN(c2ccncc2)CC1 ZINC000151329442 541353977 /nfs/dbraw/zinc/35/39/77/541353977.db2.gz WBISQLMYYYFFQT-CYBMUJFWSA-N 1 3 233.359 2.250 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](N)C[C@H]2C)cc1 ZINC000573931522 364949886 /nfs/dbraw/zinc/94/98/86/364949886.db2.gz XAIWMECWOHUNQY-UKRRQHHQSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](N)C[C@H]2C)cc1 ZINC000573931522 364949891 /nfs/dbraw/zinc/94/98/91/364949891.db2.gz XAIWMECWOHUNQY-UKRRQHHQSA-N 1 3 232.371 2.349 20 0 BEADHO C[C@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)CC1 ZINC000235556764 541441541 /nfs/dbraw/zinc/44/15/41/541441541.db2.gz ZEQBXCGKKDZRQM-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO [NH3+]CCCN1CCC[C@H]1c1ccccc1 ZINC000034492707 181381068 /nfs/dbraw/zinc/38/10/68/181381068.db2.gz PLCSEZLEEKMIDY-ZDUSSCGKSA-N 1 3 204.317 2.172 20 0 BEADHO NCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000034492707 181381069 /nfs/dbraw/zinc/38/10/69/181381069.db2.gz PLCSEZLEEKMIDY-ZDUSSCGKSA-N 1 3 204.317 2.172 20 0 BEADHO NCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000034492707 181381070 /nfs/dbraw/zinc/38/10/70/181381070.db2.gz PLCSEZLEEKMIDY-ZDUSSCGKSA-N 1 3 204.317 2.172 20 0 BEADHO [NH3+]CCCN1CCC(c2ccccc2)CC1 ZINC000027738925 181380271 /nfs/dbraw/zinc/38/02/71/181380271.db2.gz VFUJSEYJDNKMEI-UHFFFAOYSA-N 1 3 218.344 2.215 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)o1 ZINC000574563066 365089658 /nfs/dbraw/zinc/08/96/58/365089658.db2.gz NKRNUTSKEKENPO-JSGCOSHPSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCC[C@H]2C[NH3+])o1 ZINC000574563066 365089664 /nfs/dbraw/zinc/08/96/64/365089664.db2.gz NKRNUTSKEKENPO-JSGCOSHPSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1cccc([C@H](C)NC[C@H](C)C[NH3+])c1 ZINC000379880350 365336115 /nfs/dbraw/zinc/33/61/15/365336115.db2.gz VKAHROZEMLYNSW-NEPJUHHUSA-N 1 3 206.333 2.240 20 0 BEADHO CCNCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000576099195 365483369 /nfs/dbraw/zinc/48/33/69/365483369.db2.gz HEHUBINCOWDRDZ-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO CCCC[C@@H](CC)[NH2+]CC1(O)CCN(C)CC1 ZINC000360253290 366918521 /nfs/dbraw/zinc/91/85/21/366918521.db2.gz RRBGWTUFDWMMPD-CYBMUJFWSA-N 1 3 242.407 2.002 20 0 BEADHO CC[NH2+]CCCN[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000580827654 367178200 /nfs/dbraw/zinc/17/82/00/367178200.db2.gz XVQJCRUDGDTDGA-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO CC[NH2+]CCCN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000581065719 367249919 /nfs/dbraw/zinc/24/99/19/367249919.db2.gz HYJJQPGFLQAQPH-STQMWFEESA-N 1 3 242.407 2.168 20 0 BEADHO CC1(C)CCC[C@H](CN2CC[C@H]([NH3+])C2)C1 ZINC000381450135 367407975 /nfs/dbraw/zinc/40/79/75/367407975.db2.gz HDNIWVNUKKYEIR-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC1(C)C ZINC000399124836 367596898 /nfs/dbraw/zinc/59/68/98/367596898.db2.gz JMCSZRLBWOOJHV-NOOOWODRSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](NC[C@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000384095219 367672353 /nfs/dbraw/zinc/67/23/53/367672353.db2.gz CXYXMIGLJNMLMB-YNEHKIRRSA-N 1 3 242.432 2.250 20 0 BEADHO CC/C=C/CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000384866945 367746339 /nfs/dbraw/zinc/74/63/39/367746339.db2.gz NZEHXOUCVMZTQD-PDSHNHIRSA-N 1 3 210.365 2.271 20 0 BEADHO CC/C=C/CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384866945 367746342 /nfs/dbraw/zinc/74/63/42/367746342.db2.gz NZEHXOUCVMZTQD-PDSHNHIRSA-N 1 3 210.365 2.271 20 0 BEADHO C[C@H](CCCO)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000384661497 367713281 /nfs/dbraw/zinc/71/32/81/367713281.db2.gz BHHYIPFWWQTSEQ-KCPJHIHWSA-N 1 3 248.370 2.129 20 0 BEADHO [NH3+][C@@H]1CC[C@@H]2CN(C/C=C\c3ccccc3)C[C@H]12 ZINC000385774189 367863333 /nfs/dbraw/zinc/86/33/33/367863333.db2.gz WEYFXHHMOUYZGT-WEMDRRJRSA-N 1 3 242.366 2.369 20 0 BEADHO C[C@H](N[C@@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000386125386 367916016 /nfs/dbraw/zinc/91/60/16/367916016.db2.gz NQUMITAELWXBJG-YNEHKIRRSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@H](NCC1CC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000386010495 367897300 /nfs/dbraw/zinc/89/73/00/367897300.db2.gz MMGITVLBYFNUSV-GXSJLCMTSA-N 1 3 232.318 2.152 20 0 BEADHO CC(C)CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386451707 367975245 /nfs/dbraw/zinc/97/52/45/367975245.db2.gz OAPAHCAZBHSMTQ-KBPBESRZSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386451711 367976108 /nfs/dbraw/zinc/97/61/08/367976108.db2.gz OAPAHCAZBHSMTQ-UONOGXRCSA-N 1 3 242.407 2.169 20 0 BEADHO COCCC(C)(C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386468230 367978522 /nfs/dbraw/zinc/97/85/22/367978522.db2.gz QCCSVSIAFMCKPI-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO CCOCC(C)(C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386506003 367981567 /nfs/dbraw/zinc/98/15/67/367981567.db2.gz WMPTVIVGCDVPDG-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[NH+](C)CCCC(C)(C)NCc1cscn1 ZINC000387309600 368149327 /nfs/dbraw/zinc/14/93/27/368149327.db2.gz KXJFZZOUFHSONO-UHFFFAOYSA-N 1 3 241.404 2.353 20 0 BEADHO CC[C@H]([NH2+]CCOCCN(C)C)C1CCCC1 ZINC000387475131 368225860 /nfs/dbraw/zinc/22/58/60/368225860.db2.gz UKJQAMKAQYIEFO-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cscc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000087309623 368891476 /nfs/dbraw/zinc/89/14/76/368891476.db2.gz IAONOMPNFUEJHQ-RYUDHWBXSA-N 1 3 224.373 2.416 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000084223071 368850394 /nfs/dbraw/zinc/85/03/94/368850394.db2.gz PXJDILBAPPDSFW-GXTWGEPZSA-N 1 3 222.376 2.140 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000623656912 368996800 /nfs/dbraw/zinc/99/68/00/368996800.db2.gz FLDYARZZRAGUFB-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657780 368999865 /nfs/dbraw/zinc/99/98/65/368999865.db2.gz YXPRIKOCMUWOGH-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1cc(C)c(CN2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000631824192 368987627 /nfs/dbraw/zinc/98/76/27/368987627.db2.gz YJQASIAHMPZSQK-JSGCOSHPSA-N 1 3 247.386 2.176 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839694 369169985 /nfs/dbraw/zinc/16/99/85/369169985.db2.gz JRSKBYAHNSJXSG-ZIAGYGMSSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839694 369169988 /nfs/dbraw/zinc/16/99/88/369169988.db2.gz JRSKBYAHNSJXSG-ZIAGYGMSSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839693 369170075 /nfs/dbraw/zinc/17/00/75/369170075.db2.gz JRSKBYAHNSJXSG-UONOGXRCSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839693 369170080 /nfs/dbraw/zinc/17/00/80/369170080.db2.gz JRSKBYAHNSJXSG-UONOGXRCSA-N 1 3 232.371 2.330 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000459737337 203347837 /nfs/dbraw/zinc/34/78/37/203347837.db2.gz QYFSBWACOJJVCO-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737337 203347840 /nfs/dbraw/zinc/34/78/40/203347840.db2.gz QYFSBWACOJJVCO-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](N)C[C@H]2C)c(C)c1 ZINC000631863375 369607916 /nfs/dbraw/zinc/60/79/16/369607916.db2.gz ZQCDIEMGBPORTE-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](N)C[C@H]2C)c(C)c1 ZINC000631863375 369607918 /nfs/dbraw/zinc/60/79/18/369607918.db2.gz ZQCDIEMGBPORTE-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H]1CN(c2ccnc3ccccc32)CC[C@H]1[NH3+] ZINC000251903952 369980864 /nfs/dbraw/zinc/98/08/64/369980864.db2.gz WQSGBYFGDNVMSD-DGCLKSJQSA-N 1 3 241.338 2.408 20 0 BEADHO C[C@H](CCc1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453214 370045172 /nfs/dbraw/zinc/04/51/72/370045172.db2.gz DGNQKOXZPNHBLQ-KBMXLJTQSA-N 1 3 244.382 2.159 20 0 BEADHO C(C[NH2+][C@]12CCC[C@@H]1CNC2)CC1CCC1 ZINC000631867149 370212317 /nfs/dbraw/zinc/21/23/17/370212317.db2.gz KSUQIFHLYSGWGU-KGLIPLIRSA-N 1 3 222.376 2.298 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621777343 370525384 /nfs/dbraw/zinc/52/53/84/370525384.db2.gz AZXHZNUSBIVIBR-HUUCEWRRSA-N 1 3 230.355 2.308 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621777343 370525385 /nfs/dbraw/zinc/52/53/85/370525385.db2.gz AZXHZNUSBIVIBR-HUUCEWRRSA-N 1 3 230.355 2.308 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621777344 370525951 /nfs/dbraw/zinc/52/59/51/370525951.db2.gz AZXHZNUSBIVIBR-LSDHHAIUSA-N 1 3 230.355 2.308 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621777344 370525955 /nfs/dbraw/zinc/52/59/55/370525955.db2.gz AZXHZNUSBIVIBR-LSDHHAIUSA-N 1 3 230.355 2.308 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+](C)CCCN ZINC000568983393 326384535 /nfs/dbraw/zinc/38/45/35/326384535.db2.gz IAQJNLOSKYOPEP-CYBMUJFWSA-N 1 3 220.360 2.146 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+](C)CCCN ZINC000568983393 326384537 /nfs/dbraw/zinc/38/45/37/326384537.db2.gz IAQJNLOSKYOPEP-CYBMUJFWSA-N 1 3 220.360 2.146 20 0 BEADHO C[C@H](Cc1ccccc1)CN(C)CCC[NH3+] ZINC000568983393 326384538 /nfs/dbraw/zinc/38/45/38/326384538.db2.gz IAQJNLOSKYOPEP-CYBMUJFWSA-N 1 3 220.360 2.146 20 0 BEADHO COCCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120521 371321348 /nfs/dbraw/zinc/32/13/48/371321348.db2.gz BBUYNTLIEVKNJV-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000624123449 371324161 /nfs/dbraw/zinc/32/41/61/371324161.db2.gz MDTSSDGUHJLHKU-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000624123394 371324664 /nfs/dbraw/zinc/32/46/64/371324664.db2.gz LCPHBRXYOJQBIG-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1C[N@H+](CCC2CCCC2)C[C@H]1CN ZINC000631839948 372636778 /nfs/dbraw/zinc/63/67/78/372636778.db2.gz NEVFXQZDWVQKFL-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CN ZINC000631839948 372636784 /nfs/dbraw/zinc/63/67/84/372636784.db2.gz NEVFXQZDWVQKFL-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000038458033 372642794 /nfs/dbraw/zinc/64/27/94/372642794.db2.gz CLMPJOHICGFIQG-ZDUSSCGKSA-N 1 3 218.344 2.164 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CN1CC1CCCCCC1 ZINC000631861622 372661609 /nfs/dbraw/zinc/66/16/09/372661609.db2.gz FUXMAQVPWSZSNY-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N1CCC[C@H](C2CCC2)CC1 ZINC000631873777 372675376 /nfs/dbraw/zinc/67/53/76/372675376.db2.gz WBCADJVWECMQBS-HIFRSBDPSA-N 1 3 236.403 2.498 20 0 BEADHO Cc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000414794274 205773455 /nfs/dbraw/zinc/77/34/55/205773455.db2.gz LQNQHSNKWTVVHE-GXTWGEPZSA-N 1 3 236.334 2.351 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CNC)C1 ZINC000414850676 205774790 /nfs/dbraw/zinc/77/47/90/205774790.db2.gz ZRHRAXXISDCTKD-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO C(C1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246433211 374260541 /nfs/dbraw/zinc/26/05/41/374260541.db2.gz CSKBTEYENJBTKP-DZGCQCFKSA-N 1 3 234.387 2.345 20 0 BEADHO C(C1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246433211 374260545 /nfs/dbraw/zinc/26/05/45/374260545.db2.gz CSKBTEYENJBTKP-DZGCQCFKSA-N 1 3 234.387 2.345 20 0 BEADHO CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246559593 374273571 /nfs/dbraw/zinc/27/35/71/374273571.db2.gz KUKRNAUGFUSGAA-GXTWGEPZSA-N 1 3 222.376 2.345 20 0 BEADHO CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246559593 374273578 /nfs/dbraw/zinc/27/35/78/374273578.db2.gz KUKRNAUGFUSGAA-GXTWGEPZSA-N 1 3 222.376 2.345 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)c2ccccc21 ZINC000424378110 206038681 /nfs/dbraw/zinc/03/86/81/206038681.db2.gz SCQKFUVMMFOPEF-FRRDWIJNSA-N 1 3 214.312 2.273 20 0 BEADHO CCOCC(C)(C)[NH2+]CCCN(CC)CC ZINC000339370542 170353881 /nfs/dbraw/zinc/35/38/81/170353881.db2.gz AUQIULHRKCRTTB-UHFFFAOYSA-N 1 3 230.396 2.123 20 0 BEADHO CCC[N@H+](C[C@H]1CCCCO1)C1CCNCC1 ZINC000037539187 169172381 /nfs/dbraw/zinc/17/23/81/169172381.db2.gz BUURVQQERXDXKB-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[N@@H+](C[C@H]1CCCCO1)C1CCNCC1 ZINC000037539187 169172382 /nfs/dbraw/zinc/17/23/82/169172382.db2.gz BUURVQQERXDXKB-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CCCN(C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037539187 169172388 /nfs/dbraw/zinc/17/23/88/169172388.db2.gz BUURVQQERXDXKB-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CCCN(CCC[NH3+])Cc1ccccc1 ZINC000036883452 169155912 /nfs/dbraw/zinc/15/59/12/169155912.db2.gz RPCAZXDMNFBHKB-UHFFFAOYSA-N 1 3 206.333 2.247 20 0 BEADHO CCC[NH+]1CCC(NCCc2cccnc2)CC1 ZINC000037717674 169187829 /nfs/dbraw/zinc/18/78/29/169187829.db2.gz LLZLZYPEQKWDAL-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[NH+]1CCC(NC[C@H]2CC[C@H](C)O2)CC1 ZINC000127736468 169187949 /nfs/dbraw/zinc/18/79/49/169187949.db2.gz QCZCWZQDXBEGTJ-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[NH+]1CCC(NCCc2ccco2)CC1 ZINC000035121637 169188163 /nfs/dbraw/zinc/18/81/63/169188163.db2.gz UZQGGHJEOPZDQS-UHFFFAOYSA-N 1 3 236.359 2.286 20 0 BEADHO CCC[NH+]1CCC(NC[C@H]2CC[C@@H](C)O2)CC1 ZINC000127736920 169188794 /nfs/dbraw/zinc/18/87/94/169188794.db2.gz QCZCWZQDXBEGTJ-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[NH+]1CCC(N[C@H]2CSC2(C)C)CC1 ZINC000336671475 169190222 /nfs/dbraw/zinc/19/02/22/169190222.db2.gz AMEWVSJOQOOVJV-LBPRGKRZSA-N 1 3 242.432 2.344 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000309976875 169208022 /nfs/dbraw/zinc/20/80/22/169208022.db2.gz UBJWWFHJAFZJFP-IGQOVBAYSA-N 1 3 224.392 2.352 20 0 BEADHO c1ccc(CN(CC2CC[NH2+]CC2)C2CC2)nc1 ZINC000094021673 183396106 /nfs/dbraw/zinc/39/61/06/183396106.db2.gz WVLINNTWASIGNE-UHFFFAOYSA-N 1 3 245.370 2.046 20 0 BEADHO CCC[C@@H](C)[NH2+]CCCN(CC)CC ZINC000019943328 169369881 /nfs/dbraw/zinc/36/98/81/169369881.db2.gz SVOGMUHIAJNUPU-GFCCVEGCSA-N 1 3 200.370 2.497 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)CN1CCCC1 ZINC000227203572 134376014 /nfs/dbraw/zinc/37/60/14/134376014.db2.gz VJXAVWFAEDEYKP-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C2CCNCC2)s1 ZINC000049161926 383877378 /nfs/dbraw/zinc/87/73/78/383877378.db2.gz OUXNKJICTGUSJV-JTQLQIEISA-N 1 3 224.373 2.459 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccnc2ccccc12 ZINC000564970351 383988429 /nfs/dbraw/zinc/98/84/29/383988429.db2.gz JTFBWNZQOYZSRT-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO COCCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546791 384022813 /nfs/dbraw/zinc/02/28/13/384022813.db2.gz UVYZNTUYNOAXHA-QWHCGFSZSA-N 1 3 240.391 2.066 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCc1cccc2[nH]ccc21 ZINC000569447675 384051649 /nfs/dbraw/zinc/05/16/49/384051649.db2.gz NVVMYZODUOHQDG-DZGCQCFKSA-N 1 3 243.354 2.180 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643549040 384037776 /nfs/dbraw/zinc/03/77/76/384037776.db2.gz ZJEOUXFIOBDNFN-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@H]1C ZINC000643548788 384038620 /nfs/dbraw/zinc/03/86/20/384038620.db2.gz VEQKJTLVHHFPMI-XQHKEYJVSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000038040467 384060246 /nfs/dbraw/zinc/06/02/46/384060246.db2.gz YIHGPADYGNMOGL-LLVKDONJSA-N 1 3 204.317 2.089 20 0 BEADHO CNCCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000087472221 384150594 /nfs/dbraw/zinc/15/05/94/384150594.db2.gz DVSFWGVPIFANTB-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000087472221 384150599 /nfs/dbraw/zinc/15/05/99/384150599.db2.gz DVSFWGVPIFANTB-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@@H](N)C2)cc1C ZINC000235343544 384153727 /nfs/dbraw/zinc/15/37/27/384153727.db2.gz AAVRBUQDCBTXEC-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)cc1C ZINC000235343544 384153731 /nfs/dbraw/zinc/15/37/31/384153731.db2.gz AAVRBUQDCBTXEC-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000449175467 384166910 /nfs/dbraw/zinc/16/69/10/384166910.db2.gz RBXVBSOXGIOJPA-LPWJVIDDSA-N 1 3 242.432 2.200 20 0 BEADHO CNCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000309636648 384185053 /nfs/dbraw/zinc/18/50/53/384185053.db2.gz MYGIERPFAZSWBT-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO CNCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000309636648 384185058 /nfs/dbraw/zinc/18/50/58/384185058.db2.gz MYGIERPFAZSWBT-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000222999363 384181846 /nfs/dbraw/zinc/18/18/46/384181846.db2.gz HLXQWGPADKOEAF-OWCLPIDISA-N 1 3 244.382 2.403 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000163242840 384188983 /nfs/dbraw/zinc/18/89/83/384188983.db2.gz IIJKKCIRIWDQBE-BLLLJJGKSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000230650963 259648765 /nfs/dbraw/zinc/64/87/65/259648765.db2.gz FQUDZKXOQKKKDA-FDYHWXHSSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccoc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089169 384210247 /nfs/dbraw/zinc/21/02/47/384210247.db2.gz SKUILBTYUBOPCI-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CCCSC)C1 ZINC000174215593 384307641 /nfs/dbraw/zinc/30/76/41/384307641.db2.gz YQLDJDBBVBVYGW-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000174215593 384307646 /nfs/dbraw/zinc/30/76/46/384307646.db2.gz YQLDJDBBVBVYGW-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1nccs1 ZINC000083143270 384283995 /nfs/dbraw/zinc/28/39/95/384283995.db2.gz KCKUSNONPBHEGI-SNVBAGLBSA-N 1 3 227.377 2.136 20 0 BEADHO CSCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000173962693 384291610 /nfs/dbraw/zinc/29/16/10/384291610.db2.gz NDCZETXQLAABOW-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CSCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000173962693 384291616 /nfs/dbraw/zinc/29/16/16/384291616.db2.gz NDCZETXQLAABOW-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000159041987 384298212 /nfs/dbraw/zinc/29/82/12/384298212.db2.gz FCODEVGEWKTVMJ-OLZOCXBDSA-N 1 3 245.370 2.296 20 0 BEADHO COCC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357877181 384329051 /nfs/dbraw/zinc/32/90/51/384329051.db2.gz NNGZWMLQDXMNKX-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000335602284 384377677 /nfs/dbraw/zinc/37/76/77/384377677.db2.gz GALCLFZUKGVOQX-ZDUSSCGKSA-N 1 3 222.376 2.417 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084217036 384377891 /nfs/dbraw/zinc/37/78/91/384377891.db2.gz FDQYHCSGRCLJME-JHJVBQTASA-N 1 3 212.381 2.386 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000335602320 384378771 /nfs/dbraw/zinc/37/87/71/384378771.db2.gz QCMMQMGGPVTGSN-ZDUSSCGKSA-N 1 3 220.360 2.171 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000236330598 384387941 /nfs/dbraw/zinc/38/79/41/384387941.db2.gz BLTQVEPPMJVNQZ-KBPBESRZSA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NC2Cc3ccccc3C2)C1 ZINC000236330598 384387947 /nfs/dbraw/zinc/38/79/47/384387947.db2.gz BLTQVEPPMJVNQZ-KBPBESRZSA-N 1 3 230.355 2.013 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229214976 384460675 /nfs/dbraw/zinc/46/06/75/384460675.db2.gz YNTCHCNKBTXALB-QWHCGFSZSA-N 1 3 242.432 2.237 20 0 BEADHO C[C@@H](NCCCC[NH3+])c1ccccc1F ZINC000037714815 384513704 /nfs/dbraw/zinc/51/37/04/384513704.db2.gz VAPNOGJYLQBQMG-SNVBAGLBSA-N 1 3 210.296 2.215 20 0 BEADHO Cc1cccc(CCN[C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423081064 384550934 /nfs/dbraw/zinc/55/09/34/384550934.db2.gz AZUGCOSXVPOMGW-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1C[C@@H]1C ZINC000423370256 384551062 /nfs/dbraw/zinc/55/10/62/384551062.db2.gz PIHRIFTXDKRKEA-WJTVCTBASA-N 1 3 210.365 2.281 20 0 BEADHO Cc1nc(C)c(C[NH2+]C[C@H](C)CN(C)C)s1 ZINC000309786084 384607855 /nfs/dbraw/zinc/60/78/55/384607855.db2.gz SOUWZGRPSYDECY-VIFPVBQESA-N 1 3 241.404 2.047 20 0 BEADHO C1[C@@H]2CC[C@@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)C[C@H]12 ZINC000403313573 384629378 /nfs/dbraw/zinc/62/93/78/384629378.db2.gz BLUKRLYVRXPGGA-VQJWOFKYSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000041051477 384595099 /nfs/dbraw/zinc/59/50/99/384595099.db2.gz HBOUDVZSGHDZKQ-GFCCVEGCSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC12CCCC2)CN(C)C ZINC000309769736 384598932 /nfs/dbraw/zinc/59/89/32/384598932.db2.gz OJQTYSWHZLNCBE-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000568247598 384600505 /nfs/dbraw/zinc/60/05/05/384600505.db2.gz RDYJLWNVSPXOJA-DSAQSWLYSA-N 1 3 236.281 2.187 20 0 BEADHO CCCCOCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000160195415 384656251 /nfs/dbraw/zinc/65/62/51/384656251.db2.gz CKBMTGPZEUQJNU-KGLIPLIRSA-N 1 3 242.407 2.300 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300358200 384684232 /nfs/dbraw/zinc/68/42/32/384684232.db2.gz CTXGMSAWONUCHY-OPRDCNLKSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300358200 384684237 /nfs/dbraw/zinc/68/42/37/384684237.db2.gz CTXGMSAWONUCHY-OPRDCNLKSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@@H](NC1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000335037247 384780316 /nfs/dbraw/zinc/78/03/16/384780316.db2.gz BSCWARQBJXOYQX-YPMHNXCESA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]([NH2+]C1CCCCCC1)[C@@H]1CCCN1 ZINC000335037247 384780320 /nfs/dbraw/zinc/78/03/20/384780320.db2.gz BSCWARQBJXOYQX-YPMHNXCESA-N 1 3 210.365 2.439 20 0 BEADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423359617 384833219 /nfs/dbraw/zinc/83/32/19/384833219.db2.gz DNBMDZLTHMHZQA-CRWXNKLISA-N 1 3 240.391 2.051 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000107786774 384782874 /nfs/dbraw/zinc/78/28/74/384782874.db2.gz LLTOZJYRRUBMFE-SMDDNHRTSA-N 1 3 236.359 2.329 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000107786844 384783357 /nfs/dbraw/zinc/78/33/57/384783357.db2.gz AJGCVWLEVXLQSQ-CMPLNLGQSA-N 1 3 222.332 2.083 20 0 BEADHO Cc1ccoc1CNCCCC[NH+](C)C ZINC000126733688 384798212 /nfs/dbraw/zinc/79/82/12/384798212.db2.gz QPJHXTAIZDZIFH-UHFFFAOYSA-N 1 3 210.321 2.019 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCN[C@H]2C)cc1 ZINC000335644671 384801661 /nfs/dbraw/zinc/80/16/61/384801661.db2.gz XBJXOTQPNIIXQC-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826480 384805007 /nfs/dbraw/zinc/80/50/07/384805007.db2.gz PUBIMJFDICXKJZ-WCQYABFASA-N 1 3 224.392 2.400 20 0 BEADHO C(C[NH2+]C[C@@H]1CCSC1)CN1CCCCC1 ZINC000163629789 384837085 /nfs/dbraw/zinc/83/70/85/384837085.db2.gz UGGZMXXAOLMDPI-ZDUSSCGKSA-N 1 3 242.432 2.205 20 0 BEADHO CN1CC=C(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403677729 384850580 /nfs/dbraw/zinc/85/05/80/384850580.db2.gz PLNXXFYURNBWPU-QLFBSQMISA-N 1 3 234.387 2.274 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000258920501 384952098 /nfs/dbraw/zinc/95/20/98/384952098.db2.gz ISYGNPHMTYYDOK-HUUCEWRRSA-N 1 3 248.370 2.443 20 0 BEADHO COc1ccc(C)cc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000259239213 384958967 /nfs/dbraw/zinc/95/89/67/384958967.db2.gz YHQADCDHTLTGKP-KGLIPLIRSA-N 1 3 248.370 2.016 20 0 BEADHO CC[C@H]([NH2+]CCCN(C)C(C)C)[C@H]1CCOC1 ZINC000336677870 384925928 /nfs/dbraw/zinc/92/59/28/384925928.db2.gz ACJJZFMAPUDDDQ-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1ccc(CCNCC(C)(C)[NH3+])c(C)c1 ZINC000258680780 384932695 /nfs/dbraw/zinc/93/26/95/384932695.db2.gz AWUZGHRDIGGVEN-UHFFFAOYSA-N 1 3 220.360 2.173 20 0 BEADHO CSc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000258903045 384944735 /nfs/dbraw/zinc/94/47/35/384944735.db2.gz HRLDCKJGXCJPTA-STQMWFEESA-N 1 3 236.384 2.378 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1F ZINC000258855691 384948052 /nfs/dbraw/zinc/94/80/52/384948052.db2.gz FICYNYOHUHFPFS-ZIAGYGMSSA-N 1 3 236.334 2.494 20 0 BEADHO CN(CCC1CCCC1)CC(C)(C)C[NH3+] ZINC000258835361 384948565 /nfs/dbraw/zinc/94/85/65/384948565.db2.gz VQPNNJGMBPRYRC-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)[C@@H]1CCN ZINC000404281181 384965808 /nfs/dbraw/zinc/96/58/08/384965808.db2.gz FAWRGGXLJSPLQP-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@@H]1CCN ZINC000404281181 384965815 /nfs/dbraw/zinc/96/58/15/384965815.db2.gz FAWRGGXLJSPLQP-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO C[NH+](C)CC[C@@H](NCc1cc[nH]c1)C(C)(C)C ZINC000086254392 385002467 /nfs/dbraw/zinc/00/24/67/385002467.db2.gz ZEMVYUQEKLCPOM-CYBMUJFWSA-N 1 3 237.391 2.471 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)C1CCC1 ZINC000178033235 385175897 /nfs/dbraw/zinc/17/58/97/385175897.db2.gz YRRLGNOINYBBIZ-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)C1CCC1 ZINC000178033245 385176403 /nfs/dbraw/zinc/17/64/03/385176403.db2.gz YRRLGNOINYBBIZ-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccc([C@@H](C)N[C@H](C)CCC[NH3+])o1 ZINC000308895988 385251047 /nfs/dbraw/zinc/25/10/47/385251047.db2.gz ZJFNEFCDBRXVRS-MWLCHTKSSA-N 1 3 210.321 2.366 20 0 BEADHO C[NH+](C)CCCCNCc1ccc(Cl)o1 ZINC000045598323 385269409 /nfs/dbraw/zinc/26/94/09/385269409.db2.gz KLJIQBJNCCLJSR-UHFFFAOYSA-N 1 3 230.739 2.364 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1ccco1 ZINC000045663404 385273328 /nfs/dbraw/zinc/27/33/28/385273328.db2.gz VGJWAJJHTIAOON-NSHDSACASA-N 1 3 210.321 2.272 20 0 BEADHO C[C@H]([NH2+]CCN)c1ccccc1C(F)(F)F ZINC000037712374 385274826 /nfs/dbraw/zinc/27/48/26/385274826.db2.gz WWXBJNAVBPNOJT-QMMMGPOBSA-N 1 3 232.249 2.315 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CCCCCF ZINC000308909142 385284012 /nfs/dbraw/zinc/28/40/12/385284012.db2.gz FYCSJFZWENHSIH-GFCCVEGCSA-N 1 3 216.344 2.330 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CCCCCF ZINC000308909142 385284018 /nfs/dbraw/zinc/28/40/18/385284018.db2.gz FYCSJFZWENHSIH-GFCCVEGCSA-N 1 3 216.344 2.330 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CCCCCF ZINC000308909142 385284022 /nfs/dbraw/zinc/28/40/22/385284022.db2.gz FYCSJFZWENHSIH-GFCCVEGCSA-N 1 3 216.344 2.330 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000178510410 385290691 /nfs/dbraw/zinc/29/06/91/385290691.db2.gz SDQJFFZKWWRFBI-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CN1CC=C(C[NH2+]C2CCCCC2)CC1 ZINC000308944123 385300015 /nfs/dbraw/zinc/30/00/15/385300015.db2.gz NCFQZKBGMKNGHV-UHFFFAOYSA-N 1 3 208.349 2.171 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccccc1 ZINC000308981059 385323818 /nfs/dbraw/zinc/32/38/18/385323818.db2.gz KIPJQNJOOSEZJX-DGCLKSJQSA-N 1 3 206.333 2.322 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000336698541 385330465 /nfs/dbraw/zinc/33/04/65/385330465.db2.gz ONXMONXTOICKEB-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CSC[C@H]1C ZINC000336698541 385330470 /nfs/dbraw/zinc/33/04/70/385330470.db2.gz ONXMONXTOICKEB-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO CC(C)CCC[NH2+]CC1=CCN(C)CC1 ZINC000309009695 385359112 /nfs/dbraw/zinc/35/91/12/385359112.db2.gz RHJKAEBRHMOWSG-UHFFFAOYSA-N 1 3 210.365 2.274 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228203217 385362988 /nfs/dbraw/zinc/36/29/88/385362988.db2.gz NPBQKRQRYPCKBR-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228201036 385363539 /nfs/dbraw/zinc/36/35/39/385363539.db2.gz RBLQPORCPZTZAD-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@H](CN)C[C@H]2C)c1 ZINC000228078912 385327742 /nfs/dbraw/zinc/32/77/42/385327742.db2.gz DJCRXGQGHNOFAK-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@H](CN)C[C@H]2C)c1 ZINC000228078912 385327745 /nfs/dbraw/zinc/32/77/45/385327745.db2.gz DJCRXGQGHNOFAK-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](C)c1cccc(F)c1 ZINC000308972843 385327812 /nfs/dbraw/zinc/32/78/12/385327812.db2.gz HFXJGVYXYOVKKC-ZJUUUORDSA-N 1 3 210.296 2.071 20 0 BEADHO CCSCC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000309061024 385397248 /nfs/dbraw/zinc/39/72/48/385397248.db2.gz WPPWAWBUMMQVFN-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CCSCCN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000309061024 385397251 /nfs/dbraw/zinc/39/72/51/385397251.db2.gz WPPWAWBUMMQVFN-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000309422746 385577309 /nfs/dbraw/zinc/57/73/09/385577309.db2.gz BFKKOIFVBZPAIX-WDEREUQCSA-N 1 3 239.388 2.326 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000336677603 385609288 /nfs/dbraw/zinc/60/92/88/385609288.db2.gz HYUQVQFHFTULJT-YNEHKIRRSA-N 1 3 212.381 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)CC)C1 ZINC000093064966 385651149 /nfs/dbraw/zinc/65/11/49/385651149.db2.gz XAFHMGNHQRVWDG-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccccc1F ZINC000414851557 385656478 /nfs/dbraw/zinc/65/64/78/385656478.db2.gz PISVINQRJWRIIA-VXGBXAGGSA-N 1 3 238.350 2.202 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@H](C)CC(C)C ZINC000414853099 385682556 /nfs/dbraw/zinc/68/25/56/385682556.db2.gz RTDPPQPTILGKGH-VXGBXAGGSA-N 1 3 200.370 2.114 20 0 BEADHO CNCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000414858293 385734942 /nfs/dbraw/zinc/73/49/42/385734942.db2.gz IUZKPKYPEUHXQI-CYBMUJFWSA-N 1 3 220.360 2.207 20 0 BEADHO C[NH2+]CCCN[C@H](C)CCc1ccccc1 ZINC000414858293 385734946 /nfs/dbraw/zinc/73/49/46/385734946.db2.gz IUZKPKYPEUHXQI-CYBMUJFWSA-N 1 3 220.360 2.207 20 0 BEADHO CC[C@H]1CCC[C@H](C[NH2+]CCCNC)C1 ZINC000414859807 385738352 /nfs/dbraw/zinc/73/83/52/385738352.db2.gz NXECSKXEWXHLQI-STQMWFEESA-N 1 3 212.381 2.402 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]CCCNC ZINC000414860955 385743337 /nfs/dbraw/zinc/74/33/37/385743337.db2.gz QYVKRDZFGPFQTF-AWEZNQCLSA-N 1 3 220.360 2.207 20 0 BEADHO CC[C@@H](Cc1ccccc1)NCCC[NH2+]C ZINC000414860955 385743340 /nfs/dbraw/zinc/74/33/40/385743340.db2.gz QYVKRDZFGPFQTF-AWEZNQCLSA-N 1 3 220.360 2.207 20 0 BEADHO C[NH2+]CCCN[C@H](C)CCc1ccccc1F ZINC000414861224 385746473 /nfs/dbraw/zinc/74/64/73/385746473.db2.gz RODBDJDZAGKCRP-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+][C@H](C)CCc1ccccc1F ZINC000414861224 385746479 /nfs/dbraw/zinc/74/64/79/385746479.db2.gz RODBDJDZAGKCRP-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414861321 385748973 /nfs/dbraw/zinc/74/89/73/385748973.db2.gz RWOKNLHQRGNTDE-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO CNCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414861322 385749134 /nfs/dbraw/zinc/74/91/34/385749134.db2.gz RWOKNLHQRGNTDE-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000336698543 385753066 /nfs/dbraw/zinc/75/30/66/385753066.db2.gz ONXMONXTOICKEB-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CSC[C@@H]1C ZINC000336698543 385753069 /nfs/dbraw/zinc/75/30/69/385753069.db2.gz ONXMONXTOICKEB-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO CNCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000414864534 385764531 /nfs/dbraw/zinc/76/45/31/385764531.db2.gz ZJQCHLXNUPZNCA-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H](NCCC[NH3+])c1cccc(C)c1 ZINC000336703073 385772315 /nfs/dbraw/zinc/77/23/15/385772315.db2.gz QHQGURWYUFQAOJ-CYBMUJFWSA-N 1 3 206.333 2.385 20 0 BEADHO C[C@@H](CCC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000414866233 385775956 /nfs/dbraw/zinc/77/59/56/385775956.db2.gz MRQZLSLYRHKZNB-DTWKUNHWSA-N 1 3 224.270 2.059 20 0 BEADHO C[NH2+]CCCN[C@H](C)Cc1ccc(Cl)cc1 ZINC000414857355 385726539 /nfs/dbraw/zinc/72/65/39/385726539.db2.gz CYXLWOTZJNQKIR-LLVKDONJSA-N 1 3 240.778 2.470 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H]2CCN[C@H](C)C2)cn1 ZINC000414945426 385799134 /nfs/dbraw/zinc/79/91/34/385799134.db2.gz IHBOQVZPJSJIBO-HIFRSBDPSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1ccc(CCCN[C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414945426 385799136 /nfs/dbraw/zinc/79/91/36/385799136.db2.gz IHBOQVZPJSJIBO-HIFRSBDPSA-N 1 3 247.386 2.053 20 0 BEADHO F[C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000647799634 385799834 /nfs/dbraw/zinc/79/98/34/385799834.db2.gz NHLLTWVJQJOADL-MSXOGSJSSA-N 1 3 226.339 2.140 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414947804 385805094 /nfs/dbraw/zinc/80/50/94/385805094.db2.gz WZGZPYVLNJSOIZ-QCEMKRCNSA-N 1 3 244.382 2.378 20 0 BEADHO CCc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414947862 385806415 /nfs/dbraw/zinc/80/64/15/385806415.db2.gz XGGOLIQXBDULRE-UHFFFAOYSA-N 1 3 232.371 2.481 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)CC(F)F ZINC000647800563 385807804 /nfs/dbraw/zinc/80/78/04/385807804.db2.gz FGYWEMBRTHSLFL-VWYCJHECSA-N 1 3 234.334 2.398 20 0 BEADHO CC(C)(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000112341317 385839172 /nfs/dbraw/zinc/83/91/72/385839172.db2.gz VJNQQHQMQXDHRS-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112341317 385839176 /nfs/dbraw/zinc/83/91/76/385839176.db2.gz VJNQQHQMQXDHRS-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112341317 385839178 /nfs/dbraw/zinc/83/91/78/385839178.db2.gz VJNQQHQMQXDHRS-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO Cc1cc(CNC[C@@H](C)C[NH3+])ccc1Cl ZINC000414869650 385839557 /nfs/dbraw/zinc/83/95/57/385839557.db2.gz BBDBRPCTJTZJPO-VIFPVBQESA-N 1 3 226.751 2.333 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804318 385840768 /nfs/dbraw/zinc/84/07/68/385840768.db2.gz OZXPYIQSBQMRJU-MVKMKZAISA-N 1 3 228.355 2.232 20 0 BEADHO c1ccc(OCCCCN[C@@H]2CCC[NH2+]C2)cc1 ZINC000414869768 385842722 /nfs/dbraw/zinc/84/27/22/385842722.db2.gz RRFWJBMHCKCXON-CQSZACIVSA-N 1 3 248.370 2.187 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1C(C)C ZINC000414956444 385845910 /nfs/dbraw/zinc/84/59/10/385845910.db2.gz NIAKDHYOSRQAKX-JHJVBQTASA-N 1 3 212.381 2.399 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1C1CC1 ZINC000414875622 385896797 /nfs/dbraw/zinc/89/67/97/385896797.db2.gz UYHBZNKAQWUSQI-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[NH2+]CCN[C@H]1CCC[C@@H]1C1CC1 ZINC000414875623 385898066 /nfs/dbraw/zinc/89/80/66/385898066.db2.gz UYHBZNKAQWUSQI-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO CN(CCC[NH3+])[C@@H]1CCCc2ccc(F)cc21 ZINC000647847702 385898676 /nfs/dbraw/zinc/89/86/76/385898676.db2.gz ZXKBVQSOZKYJRJ-CQSZACIVSA-N 1 3 236.334 2.484 20 0 BEADHO COC[C@@]1(CNC[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000414965500 385906112 /nfs/dbraw/zinc/90/61/12/385906112.db2.gz ZORDNHXXOCNVJC-KGLIPLIRSA-N 1 3 242.407 2.027 20 0 BEADHO CCC[NH2+]CCN[C@H]1CCC[C@@H]1C(C)C ZINC000414876384 385907177 /nfs/dbraw/zinc/90/71/77/385907177.db2.gz VTHFQUSULYUELM-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO COc1ccccc1C[C@@H](C)NCC1([NH3+])CCC1 ZINC000414877440 385922406 /nfs/dbraw/zinc/92/24/06/385922406.db2.gz MXVZANFNUHVDHK-GFCCVEGCSA-N 1 3 248.370 2.097 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(F)cc1 ZINC000342101546 385926772 /nfs/dbraw/zinc/92/67/72/385926772.db2.gz LHCAHPOHNVAMMH-SNVBAGLBSA-N 1 3 222.307 2.358 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340469493 385859562 /nfs/dbraw/zinc/85/95/62/385859562.db2.gz KEFWBJLGRACTON-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H](C)[C@@]1(C)CCCO1 ZINC000340469493 385859563 /nfs/dbraw/zinc/85/95/63/385859563.db2.gz KEFWBJLGRACTON-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H](C)[C@@]1(C)CCCO1 ZINC000340469493 385859567 /nfs/dbraw/zinc/85/95/67/385859567.db2.gz KEFWBJLGRACTON-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](C[NH3+])CNC/C=C/c1ccc(F)cc1F ZINC000414873336 385875558 /nfs/dbraw/zinc/87/55/58/385875558.db2.gz HBALOOYPVPGHLD-VMZHVLLKSA-N 1 3 240.297 2.162 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@@H](C)CN)C1 ZINC000414873727 385880233 /nfs/dbraw/zinc/88/02/33/385880233.db2.gz HTKFKYYDKJPQOU-XQQFMLRXSA-N 1 3 212.381 2.387 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCSCC1 ZINC000335019230 385978857 /nfs/dbraw/zinc/97/88/57/385978857.db2.gz LVQPYSWGVYQJFJ-WCQYABFASA-N 1 3 242.432 2.107 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCCCC1 ZINC000335023351 385984509 /nfs/dbraw/zinc/98/45/09/385984509.db2.gz GTFDJBWASBJQJE-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO FC1(F)CCC[C@H](C[NH2+]C2CCNCC2)C1 ZINC000335023579 385985139 /nfs/dbraw/zinc/98/51/39/385985139.db2.gz SCHAPCOVRDISKW-JTQLQIEISA-N 1 3 232.318 2.154 20 0 BEADHO CC[C@H]1CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336748837 385988767 /nfs/dbraw/zinc/98/87/67/385988767.db2.gz CZUGPKNMFGWKBC-STQMWFEESA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNC1 ZINC000414881439 385991282 /nfs/dbraw/zinc/99/12/82/385991282.db2.gz KZULKNWMIJSKHV-DTWKUNHWSA-N 1 3 224.270 2.059 20 0 BEADHO Cc1ccccc1C[C@@H](C)NCC1([NH3+])CCC1 ZINC000414878705 385940628 /nfs/dbraw/zinc/94/06/28/385940628.db2.gz ORMIIWJCSBAXOB-CYBMUJFWSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1cccc2c1CC[C@H]2[NH2+]C1CCNCC1 ZINC000335046030 385941385 /nfs/dbraw/zinc/94/13/85/385941385.db2.gz YTYRZUPOYDJPKS-OAHLLOKOSA-N 1 3 230.355 2.324 20 0 BEADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000414878878 385943083 /nfs/dbraw/zinc/94/30/83/385943083.db2.gz HYVASTXUDFQHRO-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](NC1CCC([NH3+])CC1)c1ccncc1F ZINC000335048088 385943999 /nfs/dbraw/zinc/94/39/99/385943999.db2.gz AVZFEYFGNPXBML-KPPDAEKUSA-N 1 3 237.322 2.141 20 0 BEADHO CCN(CC)CCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000338305351 385952635 /nfs/dbraw/zinc/95/26/35/385952635.db2.gz KIDHSIWIIFOLOH-STQMWFEESA-N 1 3 212.381 2.306 20 0 BEADHO CC[NH+](CC)CCCN1C[C@H](C)[C@@H](C)C1 ZINC000338305351 385952639 /nfs/dbraw/zinc/95/26/39/385952639.db2.gz KIDHSIWIIFOLOH-STQMWFEESA-N 1 3 212.381 2.306 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304648739 385955903 /nfs/dbraw/zinc/95/59/03/385955903.db2.gz YAYJLFNFVBABBH-MJBXVCDLSA-N 1 3 224.392 2.495 20 0 BEADHO C1CC12CCC([NH2+]C1CCNCC1)CC2 ZINC000335012359 385967894 /nfs/dbraw/zinc/96/78/94/385967894.db2.gz YPVXXTUTNUEBSO-UHFFFAOYSA-N 1 3 208.349 2.051 20 0 BEADHO Cc1ccc(CNC[C@@H](C)C[NH3+])cc1Cl ZINC000414881855 386005440 /nfs/dbraw/zinc/00/54/40/386005440.db2.gz SVBAPPMXFKUUCV-VIFPVBQESA-N 1 3 226.751 2.333 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)[C@H]1C[C@H]1C ZINC000414117310 386011336 /nfs/dbraw/zinc/01/13/36/386011336.db2.gz RVJGGNGKOPQGSN-HTOAHKCRSA-N 1 3 224.392 2.493 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)NC[C@H]([NH3+])C1CC1 ZINC000414882591 386016609 /nfs/dbraw/zinc/01/66/09/386016609.db2.gz BYFXOBCWTBOLKS-YGRLFVJLSA-N 1 3 236.334 2.084 20 0 BEADHO Fc1ccc2c(c1)CC[C@H]2NCC1=CC[NH2+]CC1 ZINC000335061497 386027476 /nfs/dbraw/zinc/02/74/76/386027476.db2.gz WZRXITZCYLFJRN-OAHLLOKOSA-N 1 3 246.329 2.322 20 0 BEADHO CCc1ccc(C[NH2+]C[C@@H](N)CC)cc1 ZINC000414977368 386031326 /nfs/dbraw/zinc/03/13/26/386031326.db2.gz JSOPLNVRBWIFKR-ZDUSSCGKSA-N 1 3 206.333 2.076 20 0 BEADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)CN(C)C ZINC000291762330 386041905 /nfs/dbraw/zinc/04/19/05/386041905.db2.gz RQIDVZPJBGBLBT-NSHDSACASA-N 1 3 224.323 2.113 20 0 BEADHO C[C@H](CCN)[NH2+]CCCCOc1ccccc1 ZINC000414888729 386104789 /nfs/dbraw/zinc/10/47/89/386104789.db2.gz FLXSJHHIIVPDBR-CYBMUJFWSA-N 1 3 236.359 2.173 20 0 BEADHO C[NH2+]C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665693 386112958 /nfs/dbraw/zinc/11/29/58/386112958.db2.gz FMDIOSRBXSCSQL-KBMXLJTQSA-N 1 3 244.382 2.331 20 0 BEADHO COC1(C[NH2+]C[C@@H](C)CN(C)C)CCCCC1 ZINC000319780965 386061309 /nfs/dbraw/zinc/06/13/09/386061309.db2.gz ZDZMNSNHKDFJSL-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(SC)cc1 ZINC000414982774 386071324 /nfs/dbraw/zinc/07/13/24/386071324.db2.gz SMKRXMNRQDEFIK-NSHDSACASA-N 1 3 224.373 2.235 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000414886753 386078334 /nfs/dbraw/zinc/07/83/34/386078334.db2.gz QLCFCVGOBWXTGT-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO CSc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414886617 386079883 /nfs/dbraw/zinc/07/98/83/386079883.db2.gz CQTQXXVSHGSAOM-ZDUSSCGKSA-N 1 3 236.384 2.235 20 0 BEADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414350000 386151115 /nfs/dbraw/zinc/15/11/15/386151115.db2.gz YUFCXKYZYQPTRU-WUHRBBMRSA-N 1 3 234.343 2.208 20 0 BEADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414350000 386151119 /nfs/dbraw/zinc/15/11/19/386151119.db2.gz YUFCXKYZYQPTRU-WUHRBBMRSA-N 1 3 234.343 2.208 20 0 BEADHO N[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000414892609 386152881 /nfs/dbraw/zinc/15/28/81/386152881.db2.gz QFWOSULURFXAEH-OAHLLOKOSA-N 1 3 230.355 2.391 20 0 BEADHO CCC1(C)CCC([NH2+][C@H]2CCNC2)CC1 ZINC000414892709 386153247 /nfs/dbraw/zinc/15/32/47/386153247.db2.gz YDPFPTUHOOUCNR-CPCZMJQVSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](F)C[N@H+](C)C1CCN(CC)CC1 ZINC000440781563 386153156 /nfs/dbraw/zinc/15/31/56/386153156.db2.gz SVHXQQDNBKGHIU-LLVKDONJSA-N 1 3 216.344 2.151 20 0 BEADHO CC[C@@H](F)C[N@@H+](C)C1CCN(CC)CC1 ZINC000440781563 386153159 /nfs/dbraw/zinc/15/31/59/386153159.db2.gz SVHXQQDNBKGHIU-LLVKDONJSA-N 1 3 216.344 2.151 20 0 BEADHO NCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000414675935 386153948 /nfs/dbraw/zinc/15/39/48/386153948.db2.gz GYTXYKYTGZQBBZ-AWEZNQCLSA-N 1 3 218.344 2.042 20 0 BEADHO NCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000414675935 386153953 /nfs/dbraw/zinc/15/39/53/386153953.db2.gz GYTXYKYTGZQBBZ-AWEZNQCLSA-N 1 3 218.344 2.042 20 0 BEADHO [NH3+]CCCN1CCC[C@H]1Cc1ccccc1 ZINC000414675935 386153956 /nfs/dbraw/zinc/15/39/56/386153956.db2.gz GYTXYKYTGZQBBZ-AWEZNQCLSA-N 1 3 218.344 2.042 20 0 BEADHO CC[C@@H]([NH3+])CNC[C@H](C)c1ccccc1 ZINC000414991469 386154571 /nfs/dbraw/zinc/15/45/71/386154571.db2.gz QEZBNIRZFQQXGO-WCQYABFASA-N 1 3 206.333 2.117 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1 ZINC000414993764 386165055 /nfs/dbraw/zinc/16/50/55/386165055.db2.gz UFFILWIGJPRQQJ-GWCFXTLKSA-N 1 3 224.323 2.084 20 0 BEADHO CCOC[C@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414686902 386176485 /nfs/dbraw/zinc/17/64/85/386176485.db2.gz BTGZDVDHGUWMHF-KBPBESRZSA-N 1 3 242.407 2.108 20 0 BEADHO CCOC[C@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414686902 386176490 /nfs/dbraw/zinc/17/64/90/386176490.db2.gz BTGZDVDHGUWMHF-KBPBESRZSA-N 1 3 242.407 2.108 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000414895011 386180417 /nfs/dbraw/zinc/18/04/17/386180417.db2.gz VBJWFGSKNJLEQP-GJZGRUSLSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@@H](CC[NH3+])NC/C=C\c1ccc(F)cc1F ZINC000414895405 386184604 /nfs/dbraw/zinc/18/46/04/386184604.db2.gz NNACRKREWIRDNY-ZMWSMAPVSA-N 1 3 240.297 2.305 20 0 BEADHO Cc1occc1CN1CCC(C[NH+](C)C)CC1 ZINC000414373819 386185992 /nfs/dbraw/zinc/18/59/92/386185992.db2.gz UEFOTQHSQDACFT-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO c1csc([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647872811 386141109 /nfs/dbraw/zinc/14/11/09/386141109.db2.gz WXSJDKSHDPPKIF-NEPJUHHUSA-N 1 3 236.384 2.495 20 0 BEADHO c1ccc([C@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874481 386141476 /nfs/dbraw/zinc/14/14/76/386141476.db2.gz ZSRCRDFIXHAXEU-DZGCQCFKSA-N 1 3 230.355 2.433 20 0 BEADHO C[C@H](CCN)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414891526 386141964 /nfs/dbraw/zinc/14/19/64/386141964.db2.gz ILSJYNNAPOKQIJ-OPRDCNLKSA-N 1 3 238.297 2.434 20 0 BEADHO CCN(CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647880973 386202875 /nfs/dbraw/zinc/20/28/75/386202875.db2.gz KJVNAPZZPRXAMN-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1C ZINC000414896528 386203749 /nfs/dbraw/zinc/20/37/49/386203749.db2.gz PERUKICCCRSUIP-AWEZNQCLSA-N 1 3 218.344 2.130 20 0 BEADHO Fc1ccccc1C1(NCC2CC[NH2+]CC2)CC1 ZINC000346980579 386204189 /nfs/dbraw/zinc/20/41/89/386204189.db2.gz MAXWRECTDHNBSN-UHFFFAOYSA-N 1 3 248.345 2.404 20 0 BEADHO Cc1ccc2cc(CN[C@@H](C)CC[NH3+])ccc2n1 ZINC000414896928 386209035 /nfs/dbraw/zinc/20/90/35/386209035.db2.gz QBHNUZTXWCMJHG-NSHDSACASA-N 1 3 243.354 2.370 20 0 BEADHO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCN ZINC000414702793 386211438 /nfs/dbraw/zinc/21/14/38/386211438.db2.gz LXCUNFJNPDJMBZ-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCN ZINC000414702793 386211441 /nfs/dbraw/zinc/21/14/41/386211441.db2.gz LXCUNFJNPDJMBZ-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1C[C@H](c2ccccc2)CN1CCC[NH3+] ZINC000414702793 386211442 /nfs/dbraw/zinc/21/14/42/386211442.db2.gz LXCUNFJNPDJMBZ-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132020840 386219247 /nfs/dbraw/zinc/21/92/47/386219247.db2.gz ZBZUNAZLFPKGCF-KGLIPLIRSA-N 1 3 232.371 2.379 20 0 BEADHO [NH3+]CCCN(CCc1cccc(F)c1)C1CC1 ZINC000414710330 386228090 /nfs/dbraw/zinc/22/80/90/386228090.db2.gz RVINXQCHQCKZFO-UHFFFAOYSA-N 1 3 236.334 2.181 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339066401 386233495 /nfs/dbraw/zinc/23/34/95/386233495.db2.gz BZKLPLKIBXGSBJ-VHDGCEQUSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066401 386233499 /nfs/dbraw/zinc/23/34/99/386233499.db2.gz BZKLPLKIBXGSBJ-VHDGCEQUSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000415002061 386237304 /nfs/dbraw/zinc/23/73/04/386237304.db2.gz DEWLOWZHRGLKPA-WZQADMAKSA-N 1 3 222.307 2.164 20 0 BEADHO Cc1ccccc1[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647883911 386247245 /nfs/dbraw/zinc/24/72/45/386247245.db2.gz JQPHPGOPQQYECN-GJZGRUSLSA-N 1 3 244.382 2.394 20 0 BEADHO CCN(CCC[NH3+])[C@@H](C)c1cccc(OC)c1 ZINC000414694714 386192874 /nfs/dbraw/zinc/19/28/74/386192874.db2.gz DQDBSWPLUODUHN-LBPRGKRZSA-N 1 3 236.359 2.427 20 0 BEADHO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCN)C1(C)C ZINC000414696036 386197344 /nfs/dbraw/zinc/19/73/44/386197344.db2.gz AULASGGQKUCTAW-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCN)C1(C)C ZINC000414696036 386197348 /nfs/dbraw/zinc/19/73/48/386197348.db2.gz AULASGGQKUCTAW-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO CCC[C@]1(C)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647886128 386294745 /nfs/dbraw/zinc/29/47/45/386294745.db2.gz XKWLNKGAINCQJF-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1C[C@@H](c2ccccc2)CN1C[C@@H]1CC[NH2+]C1 ZINC000647885883 386296108 /nfs/dbraw/zinc/29/61/08/386296108.db2.gz DRFTWKROMNKOCK-IIAWOOMASA-N 1 3 244.382 2.474 20 0 BEADHO C[C@H](CCc1cccc(F)c1)N[C@@H](C)[C@H](C)[NH3+] ZINC000415006386 386324896 /nfs/dbraw/zinc/32/48/96/386324896.db2.gz BIRQPBREOHWHCB-WOPDTQHZSA-N 1 3 238.350 2.472 20 0 BEADHO CCCOc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000415003898 386264598 /nfs/dbraw/zinc/26/45/98/386264598.db2.gz GRLXGVQRPWSPJE-VXGBXAGGSA-N 1 3 236.359 2.301 20 0 BEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1C ZINC000415004308 386276890 /nfs/dbraw/zinc/27/68/90/386276890.db2.gz HNNFJJRUUPGXBE-RYUDHWBXSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1ccc([C@]2(C)CC[N@H+](CCCN)C2)cc1 ZINC000414747096 386350852 /nfs/dbraw/zinc/35/08/52/386350852.db2.gz RRDCHXDIDVCQCW-OAHLLOKOSA-N 1 3 232.371 2.307 20 0 BEADHO Cc1ccc([C@]2(C)CC[N@@H+](CCCN)C2)cc1 ZINC000414747096 386350857 /nfs/dbraw/zinc/35/08/57/386350857.db2.gz RRDCHXDIDVCQCW-OAHLLOKOSA-N 1 3 232.371 2.307 20 0 BEADHO Cc1ccnc([C@@H](C)NCC2CC[NH+](C)CC2)c1 ZINC000353520645 386350966 /nfs/dbraw/zinc/35/09/66/386350966.db2.gz OHOCNHSOSJWPNX-CYBMUJFWSA-N 1 3 247.386 2.382 20 0 BEADHO C[C@H](N)C[NH+]1CCC(C2CCCC2)CC1 ZINC000647890169 386366885 /nfs/dbraw/zinc/36/68/85/386366885.db2.gz WJXUSOOKQVBECZ-NSHDSACASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC1 ZINC000336743224 386370025 /nfs/dbraw/zinc/37/00/25/386370025.db2.gz OUWVEXLUPNHSJM-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO COC1CC([NH2+]CC[C@@H](C)N2CCCCC2)C1 ZINC000347483318 386438513 /nfs/dbraw/zinc/43/85/13/386438513.db2.gz MKFUMMTTWVQJJC-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC(NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000347483318 386438518 /nfs/dbraw/zinc/43/85/18/386438518.db2.gz MKFUMMTTWVQJJC-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO COc1ccc([C@@H](C)C[N@H+](C)C2CC(N)C2)cc1 ZINC000414769386 386445582 /nfs/dbraw/zinc/44/55/82/386445582.db2.gz KBBLNRCSVFDBBN-XGNXJENSSA-N 1 3 248.370 2.220 20 0 BEADHO COc1ccc([C@@H](C)C[N@@H+](C)C2CC(N)C2)cc1 ZINC000414769386 386445588 /nfs/dbraw/zinc/44/55/88/386445588.db2.gz KBBLNRCSVFDBBN-XGNXJENSSA-N 1 3 248.370 2.220 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CCO1 ZINC000414907739 386393953 /nfs/dbraw/zinc/39/39/53/386393953.db2.gz AVSPSVOQQYNIHL-DGAVXFQQSA-N 1 3 240.391 2.050 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CCO1 ZINC000414907747 386394224 /nfs/dbraw/zinc/39/42/24/386394224.db2.gz AVSPSVOQQYNIHL-SYQHCUMBSA-N 1 3 240.391 2.050 20 0 BEADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C ZINC000414908489 386398637 /nfs/dbraw/zinc/39/86/37/386398637.db2.gz BKXOZDUKMBFKHT-ZIAGYGMSSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCN)C1 ZINC000414759324 386411978 /nfs/dbraw/zinc/41/19/78/386411978.db2.gz ZXAXVPLEGXDSEA-GJZGRUSLSA-N 1 3 232.371 2.435 20 0 BEADHO C[C@H](N)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664178 386412511 /nfs/dbraw/zinc/41/25/11/386412511.db2.gz LRWSUEPIAQFOKD-WFASDCNBSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@H](N)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664178 386412515 /nfs/dbraw/zinc/41/25/15/386412515.db2.gz LRWSUEPIAQFOKD-WFASDCNBSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000093516497 386420179 /nfs/dbraw/zinc/42/01/79/386420179.db2.gz LVQWYOFXJINCOT-MGPQQGTHSA-N 1 3 240.391 2.066 20 0 BEADHO CO[C@H](C)CN(CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000336714279 386432798 /nfs/dbraw/zinc/43/27/98/386432798.db2.gz QPHPUVCEJWYRBA-ZIAGYGMSSA-N 1 3 242.407 2.216 20 0 BEADHO CO[C@H](C)CN(CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000336714279 386432803 /nfs/dbraw/zinc/43/28/03/386432803.db2.gz QPHPUVCEJWYRBA-ZIAGYGMSSA-N 1 3 242.407 2.216 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CCNCC1 ZINC000335453497 386528490 /nfs/dbraw/zinc/52/84/90/386528490.db2.gz WCBVSGQJGSXFMG-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccn1 ZINC000391194722 386473977 /nfs/dbraw/zinc/47/39/77/386473977.db2.gz RCEOAKWVZKCGNZ-UXIGCNINSA-N 1 3 247.386 2.208 20 0 BEADHO C[C@H](CCc1ccsc1)N[C@H](C)[C@H](C)[NH3+] ZINC000415013201 386495989 /nfs/dbraw/zinc/49/59/89/386495989.db2.gz KNZHREREWXJIOY-OUAUKWLOSA-N 1 3 226.389 2.395 20 0 BEADHO Cc1ccc2cc(C[NH2+][C@H](C)[C@H](C)N)ccc2n1 ZINC000415014130 386497683 /nfs/dbraw/zinc/49/76/83/386497683.db2.gz LHZQWYKCAWJLGW-NWDGAFQWSA-N 1 3 243.354 2.369 20 0 BEADHO C[C@H](CCc1ccccc1F)N[C@H](C)[C@H](C)[NH3+] ZINC000415017652 386503392 /nfs/dbraw/zinc/50/33/92/386503392.db2.gz QITOZHFUXDMJPH-GRYCIOLGSA-N 1 3 238.350 2.472 20 0 BEADHO CCCc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000415016652 386503757 /nfs/dbraw/zinc/50/37/57/386503757.db2.gz OISHPWUDBVHMRP-RYUDHWBXSA-N 1 3 220.360 2.464 20 0 BEADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000415019165 386505861 /nfs/dbraw/zinc/50/58/61/386505861.db2.gz RPIWFSXSZPDEMU-MWODSPESSA-N 1 3 238.762 2.133 20 0 BEADHO CCCC1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415031235 386519176 /nfs/dbraw/zinc/51/91/76/386519176.db2.gz FZZPBYSFWGTQJX-TWASESMYSA-N 1 3 222.376 2.153 20 0 BEADHO CCCC1CCC(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415035852 386520980 /nfs/dbraw/zinc/52/09/80/386520980.db2.gz LEPILHCNHWTWQL-QSCRHYGLSA-N 1 3 236.403 2.400 20 0 BEADHO CC(C)CC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034977 386522122 /nfs/dbraw/zinc/52/21/22/386522122.db2.gz KHIBRRHXGCQOQF-SBJFKYEJSA-N 1 3 236.403 2.399 20 0 BEADHO CCC[C@@H](C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000414915585 386523597 /nfs/dbraw/zinc/52/35/97/386523597.db2.gz ZRXWQASBQSIQJY-OLZOCXBDSA-N 1 3 212.381 2.402 20 0 BEADHO CCC(CC)(CC)CNC[C@H]1C[NH2+]CCCO1 ZINC000415036981 386524735 /nfs/dbraw/zinc/52/47/35/386524735.db2.gz KUIOHLNXGSDVSR-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO Cc1cccc(CC[C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415036334 386524765 /nfs/dbraw/zinc/52/47/65/386524765.db2.gz LRLATOFMROHFHI-ARLBYUKCSA-N 1 3 244.382 2.124 20 0 BEADHO C[C@@H](CCc1ccsc1)[NH2+]C1CCNCC1 ZINC000414787614 386526606 /nfs/dbraw/zinc/52/66/06/386526606.db2.gz ZLYKWQXIULDGGK-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](CCc1ccsc1)NC1CC[NH2+]CC1 ZINC000414787614 386526615 /nfs/dbraw/zinc/52/66/15/386526615.db2.gz ZLYKWQXIULDGGK-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000414786472 386526930 /nfs/dbraw/zinc/52/69/30/386526930.db2.gz BHBPFGFGMCGDCL-LSDHHAIUSA-N 1 3 232.371 2.117 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)CN(C)C ZINC000291709192 386453786 /nfs/dbraw/zinc/45/37/86/386453786.db2.gz LBHIQBFSBLKSBP-BBRMVZONSA-N 1 3 246.398 2.331 20 0 BEADHO C[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000094339087 386458401 /nfs/dbraw/zinc/45/84/01/386458401.db2.gz NLMVPNGWBMQFEC-NFAWXSAZSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000094339087 386458408 /nfs/dbraw/zinc/45/84/08/386458408.db2.gz NLMVPNGWBMQFEC-NFAWXSAZSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)c1ccccc1 ZINC000094339087 386458414 /nfs/dbraw/zinc/45/84/14/386458414.db2.gz NLMVPNGWBMQFEC-NFAWXSAZSA-N 1 3 232.371 2.459 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](N)C(C)C)c(C)c1 ZINC000414800179 386584780 /nfs/dbraw/zinc/58/47/80/386584780.db2.gz RWOHNIUTDUGOCN-CQSZACIVSA-N 1 3 220.360 2.376 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414800632 386587636 /nfs/dbraw/zinc/58/76/36/386587636.db2.gz SIVZXORJFUHQCG-SOUVJXGZSA-N 1 3 232.371 2.363 20 0 BEADHO CC[C@@H](Cc1ccc(C)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046464 386531333 /nfs/dbraw/zinc/53/13/33/386531333.db2.gz XIDVXNZYCLDWSW-CAOSSQGBSA-N 1 3 244.382 2.124 20 0 BEADHO C[C@H]([NH3+])CN1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000647995268 386547017 /nfs/dbraw/zinc/54/70/17/386547017.db2.gz KBDZTNJYZDNYPV-YNEHKIRRSA-N 1 3 224.392 2.482 20 0 BEADHO Fc1ccc(/C=C/C[NH2+]C2CCNCC2)cc1 ZINC000414791885 386548706 /nfs/dbraw/zinc/54/87/06/386548706.db2.gz RGGAGXAMZSBUBM-OWOJBTEDSA-N 1 3 234.318 2.181 20 0 BEADHO CC[C@H]1CCC[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415065741 386549250 /nfs/dbraw/zinc/54/92/50/386549250.db2.gz SDVKEIAZTVTFIK-QSLWVIQJSA-N 1 3 222.376 2.010 20 0 BEADHO CC1(C)CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000415066489 386549522 /nfs/dbraw/zinc/54/95/22/386549522.db2.gz IWRHKTRGNOUUGB-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068128 386551184 /nfs/dbraw/zinc/55/11/84/386551184.db2.gz VSRVTJDVWDMJPV-KVSVUVNWSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415069682 386552249 /nfs/dbraw/zinc/55/22/49/386552249.db2.gz XLPXBTNZQBOPPA-BJJPWKGXSA-N 1 3 224.392 2.255 20 0 BEADHO C[C@H](CCC1CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000415070316 386552643 /nfs/dbraw/zinc/55/26/43/386552643.db2.gz IFEDAHNWTXPLKG-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000415071005 386554916 /nfs/dbraw/zinc/55/49/16/386554916.db2.gz RZPNTTPNBWRBBY-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CCOc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000414793579 386555819 /nfs/dbraw/zinc/55/58/19/386555819.db2.gz KTQWRMITAHESSK-CQSZACIVSA-N 1 3 236.359 2.158 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919808 386563970 /nfs/dbraw/zinc/56/39/70/386563970.db2.gz XUAAOESODCJXIV-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)(N)C[NH2+]C/C=C\c1ccccc1 ZINC000414796499 386566207 /nfs/dbraw/zinc/56/62/07/386566207.db2.gz BXEPKHADQQJISK-TWGQIWQCSA-N 1 3 204.317 2.027 20 0 BEADHO CNCCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997632 386619521 /nfs/dbraw/zinc/61/95/21/386619521.db2.gz UMUFGRWKVZQIHT-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CNCCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997632 386619525 /nfs/dbraw/zinc/61/95/25/386619525.db2.gz UMUFGRWKVZQIHT-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1cccc(C)c1C[NH2+]CC(C)(C)N ZINC000414810047 386620345 /nfs/dbraw/zinc/62/03/45/386620345.db2.gz WNRZUURZIIXXRO-UHFFFAOYSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@@H](CCc1ccccc1F)NCC(C)(C)[NH3+] ZINC000414809637 386620857 /nfs/dbraw/zinc/62/08/57/386620857.db2.gz VVYUZBVRAUWJEO-NSHDSACASA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H](CNCC(C)(C)[NH3+])Cc1ccccc1 ZINC000414809599 386622225 /nfs/dbraw/zinc/62/22/25/386622225.db2.gz VSHBQPCETXJMLS-GFCCVEGCSA-N 1 3 220.360 2.192 20 0 BEADHO Cc1ccccc1C1(CNCC(C)(C)[NH3+])CC1 ZINC000415100760 386623720 /nfs/dbraw/zinc/62/37/20/386623720.db2.gz HYKFNEXQGGVEJO-UHFFFAOYSA-N 1 3 232.371 2.354 20 0 BEADHO Cc1cc(C[NH2+]CC(C)(C)N)cc2cccnc12 ZINC000414808412 386625284 /nfs/dbraw/zinc/62/52/84/386625284.db2.gz SRPJKEGWOZEKGX-UHFFFAOYSA-N 1 3 243.354 2.370 20 0 BEADHO Cc1cc(C)cc(C[NH2+]CC(C)(C)N)c1 ZINC000414810908 386634530 /nfs/dbraw/zinc/63/45/30/386634530.db2.gz YGVXASRUZRITGN-UHFFFAOYSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC12CCC2)CN(C)C ZINC000336758916 386642729 /nfs/dbraw/zinc/64/27/29/386642729.db2.gz KXQGXZKTUSBWMS-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CCOC[C@@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414813140 386643368 /nfs/dbraw/zinc/64/33/68/386643368.db2.gz SLCCZAAYZUHQKH-NEPJUHHUSA-N 1 3 236.359 2.221 20 0 BEADHO C([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCNC1 ZINC000335519373 386656166 /nfs/dbraw/zinc/65/61/66/386656166.db2.gz ORFCYKRNHMUYAR-STQMWFEESA-N 1 3 222.376 2.298 20 0 BEADHO Cc1occc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000414461914 386601247 /nfs/dbraw/zinc/60/12/47/386601247.db2.gz LMVKSTQHPRQJOA-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1occc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000414461914 386601251 /nfs/dbraw/zinc/60/12/51/386601251.db2.gz LMVKSTQHPRQJOA-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO C[C@@H](CCc1cccc(F)c1)NCC(C)(C)[NH3+] ZINC000414801677 386601691 /nfs/dbraw/zinc/60/16/91/386601691.db2.gz JOOPGVWXRCQDMN-NSHDSACASA-N 1 3 238.350 2.474 20 0 BEADHO Cc1ccc2cc(C[NH2+]CC(C)(C)N)ccc2n1 ZINC000414804211 386609175 /nfs/dbraw/zinc/60/91/75/386609175.db2.gz NODQDDJTUXTAKQ-UHFFFAOYSA-N 1 3 243.354 2.370 20 0 BEADHO CC(C)([NH3+])CN[C@H]1C[C@H]1C1CCCCC1 ZINC000415108050 386617835 /nfs/dbraw/zinc/61/78/35/386617835.db2.gz ONZJMJUVTPYVLH-RYUDHWBXSA-N 1 3 210.365 2.282 20 0 BEADHO C[NH2+]CCNC1CCC(C(C)(C)C)CC1 ZINC000414819902 386660158 /nfs/dbraw/zinc/66/01/58/386660158.db2.gz BANHKJBVIXFTHV-UHFFFAOYSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[NH3+])N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414926351 386662003 /nfs/dbraw/zinc/66/20/03/386662003.db2.gz KAHFQHWKMGQGAG-VHSXEESVSA-N 1 3 226.751 2.208 20 0 BEADHO CN1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000335521431 386662110 /nfs/dbraw/zinc/66/21/10/386662110.db2.gz UGCZIIXUOGYNPQ-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO CN1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000335521431 386662116 /nfs/dbraw/zinc/66/21/16/386662116.db2.gz UGCZIIXUOGYNPQ-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000414926220 386670262 /nfs/dbraw/zinc/67/02/62/386670262.db2.gz KNKVSHXAUWTNJW-GUTXKFCHSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](CC1CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822088 386671467 /nfs/dbraw/zinc/67/14/67/386671467.db2.gz BYNLQTWKNLTODK-MDFVCYEDSA-N 1 3 208.349 2.048 20 0 BEADHO C[NH2+]CCNC1CC(C)(C)CC(C)(C)C1 ZINC000414821536 386676907 /nfs/dbraw/zinc/67/69/07/386676907.db2.gz FFOUEKMPJLFGEY-UHFFFAOYSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCNC1 ZINC000414824023 386680222 /nfs/dbraw/zinc/68/02/22/386680222.db2.gz PWWKNZCHHMMNDI-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)CNC[C@H](C)c1ccccc1 ZINC000414830788 386709109 /nfs/dbraw/zinc/70/91/09/386709109.db2.gz CKNKZECGQBOBLQ-OLZOCXBDSA-N 1 3 220.360 2.235 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000414830788 386709115 /nfs/dbraw/zinc/70/91/15/386709115.db2.gz CKNKZECGQBOBLQ-OLZOCXBDSA-N 1 3 220.360 2.235 20 0 BEADHO CCC[C@H]([NH2+]C1CCNCC1)C1CCC1 ZINC000324969436 386707332 /nfs/dbraw/zinc/70/73/32/386707332.db2.gz ZTDUWDYIFABEKO-ZDUSSCGKSA-N 1 3 210.365 2.297 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000414833674 386714847 /nfs/dbraw/zinc/71/48/47/386714847.db2.gz STFKRFKASILRDU-YNEHKIRRSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000335484925 386715095 /nfs/dbraw/zinc/71/50/95/386715095.db2.gz XKJHVEIRZDOSIG-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCCC[C@H]1C1CC1 ZINC000414831892 386716298 /nfs/dbraw/zinc/71/62/98/386716298.db2.gz PWSXVCKEZDCGHV-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@]1(C[NH2+][C@H]2CCC23CCC3)CCCNC1 ZINC000335486507 386717246 /nfs/dbraw/zinc/71/72/46/386717246.db2.gz HEMROZIZAVYCEE-QWHCGFSZSA-N 1 3 222.376 2.298 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000414834132 386720864 /nfs/dbraw/zinc/72/08/64/386720864.db2.gz GYEDKRQJUXPWEQ-ZDEQEGDKSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000414834126 386721148 /nfs/dbraw/zinc/72/11/48/386721148.db2.gz GYEDKRQJUXPWEQ-QNWHQSFQSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414834870 386725574 /nfs/dbraw/zinc/72/55/74/386725574.db2.gz HZKGPGVNBXCIHG-UBHSHLNASA-N 1 3 224.392 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414835809 386727443 /nfs/dbraw/zinc/72/74/43/386727443.db2.gz IPFZYKJKWBYZAF-IACUBPJLSA-N 1 3 224.392 2.400 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414843693 386766529 /nfs/dbraw/zinc/76/65/29/386766529.db2.gz KINJMZCTXWBCDU-UWVGGRQHSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@H](C[NH3+])N[C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414933766 386789607 /nfs/dbraw/zinc/78/96/07/386789607.db2.gz URZRHEBMPYVICX-WVWOOGAGSA-N 1 3 218.344 2.115 20 0 BEADHO C[C@@H]1CCC[C@H](CN(C)C2CC([NH3+])C2)C1 ZINC000394999399 386797162 /nfs/dbraw/zinc/79/71/62/386797162.db2.gz FPRYAGIQCFMSNG-IALDZJHCSA-N 1 3 210.365 2.234 20 0 BEADHO CC[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000336669540 386801201 /nfs/dbraw/zinc/80/12/01/386801201.db2.gz AMPBCPHWPHYODT-MGPQQGTHSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+]CCCNC1CC1 ZINC000398472850 386826183 /nfs/dbraw/zinc/82/61/83/386826183.db2.gz OQOAFDPHLNNHTL-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CNC ZINC000414847151 386831334 /nfs/dbraw/zinc/83/13/34/386831334.db2.gz VIMOMEFUEMFBAE-UKRRQHHQSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@H](Cc1ccccc1)NC[C@H](C)C[NH2+]C ZINC000414847151 386831340 /nfs/dbraw/zinc/83/13/40/386831340.db2.gz VIMOMEFUEMFBAE-UKRRQHHQSA-N 1 3 234.387 2.453 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)CCc1ccco1)CN(C)C ZINC000293364100 386835163 /nfs/dbraw/zinc/83/51/63/386835163.db2.gz HOELPCQAKDREFK-OLZOCXBDSA-N 1 3 238.375 2.388 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000425341736 386844380 /nfs/dbraw/zinc/84/43/80/386844380.db2.gz GBNSOEVIKUBAQH-MROQNXINSA-N 1 3 242.432 2.343 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000425341736 386844384 /nfs/dbraw/zinc/84/43/84/386844384.db2.gz GBNSOEVIKUBAQH-MROQNXINSA-N 1 3 242.432 2.343 20 0 BEADHO CO[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357842141 386854081 /nfs/dbraw/zinc/85/40/81/386854081.db2.gz ATSPRGWKKWSTLZ-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H](C)[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000357842141 386854087 /nfs/dbraw/zinc/85/40/87/386854087.db2.gz ATSPRGWKKWSTLZ-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000334846801 386894538 /nfs/dbraw/zinc/89/45/38/386894538.db2.gz PXQBLGJZKYSZJF-STQMWFEESA-N 1 3 236.334 2.494 20 0 BEADHO Cc1oc2ccccc2c1C[NH2+][C@H](C)CN ZINC000414940160 386876388 /nfs/dbraw/zinc/87/63/88/386876388.db2.gz ZGQIOXYWWQQERM-SECBINFHSA-N 1 3 218.300 2.178 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCNC[C@H]1C ZINC000414940188 386877136 /nfs/dbraw/zinc/87/71/36/386877136.db2.gz JYXYXAAPVRMMKC-YNEHKIRRSA-N 1 3 212.381 2.256 20 0 BEADHO CCOC[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000341476054 386916452 /nfs/dbraw/zinc/91/64/52/386916452.db2.gz CCKPXZNYLPDMBC-LBPRGKRZSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000334847486 386896178 /nfs/dbraw/zinc/89/61/78/386896178.db2.gz USNAYYCZUGVFIF-QWHCGFSZSA-N 1 3 236.334 2.494 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000334847479 386896683 /nfs/dbraw/zinc/89/66/83/386896683.db2.gz USNAYYCZUGVFIF-CHWSQXEVSA-N 1 3 236.334 2.494 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCNC[C@H]2C)c1C ZINC000334857190 386908711 /nfs/dbraw/zinc/90/87/11/386908711.db2.gz LSGQOHCCGOXRKC-IUODEOHRSA-N 1 3 232.371 2.391 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000331932939 386928867 /nfs/dbraw/zinc/92/88/67/386928867.db2.gz IOQNHHSXIVDSAY-LJISPDSOSA-N 1 3 246.354 2.024 20 0 BEADHO C[C@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CCCNC1 ZINC000334873248 386934689 /nfs/dbraw/zinc/93/46/89/386934689.db2.gz FNXXCZBJKYFDNK-SWLSCSKDSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H](NC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000334873248 386934693 /nfs/dbraw/zinc/93/46/93/386934693.db2.gz FNXXCZBJKYFDNK-SWLSCSKDSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@@H]1CCCNC1 ZINC000334873246 386935223 /nfs/dbraw/zinc/93/52/23/386935223.db2.gz FNXXCZBJKYFDNK-IUODEOHRSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H](NC1Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000334873246 386935225 /nfs/dbraw/zinc/93/52/25/386935225.db2.gz FNXXCZBJKYFDNK-IUODEOHRSA-N 1 3 244.382 2.132 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CC[C@@H]1SC ZINC000425356536 386968703 /nfs/dbraw/zinc/96/87/03/386968703.db2.gz PLZLLVFKSYPWGO-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425356536 386968712 /nfs/dbraw/zinc/96/87/12/386968712.db2.gz PLZLLVFKSYPWGO-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NCCC[N@H+](C)C(C)C ZINC000425359396 386977727 /nfs/dbraw/zinc/97/77/27/386977727.db2.gz PXXPEUNPIYTMNL-NWDGAFQWSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@@H]1CC[C@@H]1NCCC[N@@H+](C)C(C)C ZINC000425359396 386977729 /nfs/dbraw/zinc/97/77/29/386977729.db2.gz PXXPEUNPIYTMNL-NWDGAFQWSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]CCCN(C)C(C)C ZINC000425359396 386977732 /nfs/dbraw/zinc/97/77/32/386977732.db2.gz PXXPEUNPIYTMNL-NWDGAFQWSA-N 1 3 230.421 2.200 20 0 BEADHO CO[C@H](C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000358666569 386995923 /nfs/dbraw/zinc/99/59/23/386995923.db2.gz QCTUEPMATFXKOE-GFCCVEGCSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000104411928 387005780 /nfs/dbraw/zinc/00/57/80/387005780.db2.gz AQAZVTBZQOGHRO-KGLIPLIRSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2cccnc2)CC1 ZINC000110643857 387066611 /nfs/dbraw/zinc/06/66/11/387066611.db2.gz CBINASZVGXFCBM-RYUDHWBXSA-N 1 3 233.359 2.202 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423298523 387130607 /nfs/dbraw/zinc/13/06/07/387130607.db2.gz AJUMHPXKAGJQEG-WOPDTQHZSA-N 1 3 216.344 2.089 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733435 387091259 /nfs/dbraw/zinc/09/12/59/387091259.db2.gz URUNTABGTHJDTF-MNOVXSKESA-N 1 3 239.388 2.183 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733434 387091527 /nfs/dbraw/zinc/09/15/27/387091527.db2.gz URUNTABGTHJDTF-QWRGUYRKSA-N 1 3 239.388 2.183 20 0 BEADHO CC[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000322514415 387093101 /nfs/dbraw/zinc/09/31/01/387093101.db2.gz JTUQVBUJCCDHNK-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000322514415 387093105 /nfs/dbraw/zinc/09/31/05/387093105.db2.gz JTUQVBUJCCDHNK-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CC1(F)CC(N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000335004821 387099690 /nfs/dbraw/zinc/09/96/90/387099690.db2.gz GNOOHVCJVUYLLJ-LVFLEHKBSA-N 1 3 214.328 2.127 20 0 BEADHO CC[C@@H]([NH2+]CC1CNC1)C1CCCCC1 ZINC000423300527 387131436 /nfs/dbraw/zinc/13/14/36/387131436.db2.gz FDJUIXYVKVEYRB-CYBMUJFWSA-N 1 3 210.365 2.154 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000335006093 387100980 /nfs/dbraw/zinc/10/09/80/387100980.db2.gz ANDKQAQMGQQJLG-VHSXEESVSA-N 1 3 218.291 2.034 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007603 387103121 /nfs/dbraw/zinc/10/31/21/387103121.db2.gz PARVQYVPHSYBED-YPMHNXCESA-N 1 3 222.376 2.297 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000250262662 387111787 /nfs/dbraw/zinc/11/17/87/387111787.db2.gz DVDAHRXMHABHPY-CHWSQXEVSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000250262662 387111792 /nfs/dbraw/zinc/11/17/92/387111792.db2.gz DVDAHRXMHABHPY-CHWSQXEVSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000250262662 387111795 /nfs/dbraw/zinc/11/17/95/387111795.db2.gz DVDAHRXMHABHPY-CHWSQXEVSA-N 1 3 232.371 2.418 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000228821436 387121685 /nfs/dbraw/zinc/12/16/85/387121685.db2.gz JPRHVNFZRMBVTD-MFKMUULPSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000228821436 387121687 /nfs/dbraw/zinc/12/16/87/387121687.db2.gz JPRHVNFZRMBVTD-MFKMUULPSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccsc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000228821405 387122574 /nfs/dbraw/zinc/12/25/74/387122574.db2.gz LMTAIAIPRNSLKO-NEPJUHHUSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccsc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000228821405 387122577 /nfs/dbraw/zinc/12/25/77/387122577.db2.gz LMTAIAIPRNSLKO-NEPJUHHUSA-N 1 3 238.400 2.486 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000643482100 387128257 /nfs/dbraw/zinc/12/82/57/387128257.db2.gz FIKZPXIHJZBSTD-GUBZILKMSA-N 1 3 238.297 2.163 20 0 BEADHO COc1cc([C@H](C)NC[C@H](C)C[NH3+])ccc1F ZINC000423299533 387129122 /nfs/dbraw/zinc/12/91/22/387129122.db2.gz BSZNIXNVUFCDDS-ZJUUUORDSA-N 1 3 240.322 2.080 20 0 BEADHO COc1cc([C@H](C)NC[C@@H](C)C[NH3+])ccc1F ZINC000423299531 387129792 /nfs/dbraw/zinc/12/97/92/387129792.db2.gz BSZNIXNVUFCDDS-UWVGGRQHSA-N 1 3 240.322 2.080 20 0 BEADHO C[C@@H](CN)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423308532 387144050 /nfs/dbraw/zinc/14/40/50/387144050.db2.gz OREDLPKICYYART-GWCFXTLKSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)C1CCCCCC1 ZINC000423307410 387144415 /nfs/dbraw/zinc/14/44/15/387144415.db2.gz VZUSCLCNYAMXMH-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO CN(CCCCF)CCC[NH+]1CCCC1 ZINC000352393926 387145229 /nfs/dbraw/zinc/14/52/29/387145229.db2.gz FDRHPMRHABAJGK-UHFFFAOYSA-N 1 3 216.344 2.154 20 0 BEADHO c1ccc(C[C@@H]2CC[C@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423309367 387145931 /nfs/dbraw/zinc/14/59/31/387145931.db2.gz ZGSLSMGJNNFNQA-HOCLYGCPSA-N 1 3 244.382 2.207 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccsc1 ZINC000423309228 387145953 /nfs/dbraw/zinc/14/59/53/387145953.db2.gz PXVYTPPUSWFWFV-GXSJLCMTSA-N 1 3 212.362 2.384 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccsc1 ZINC000423309229 387146806 /nfs/dbraw/zinc/14/68/06/387146806.db2.gz PXVYTPPUSWFWFV-KOLCDFICSA-N 1 3 212.362 2.384 20 0 BEADHO C[C@@H](F)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000352402823 387146940 /nfs/dbraw/zinc/14/69/40/387146940.db2.gz QBWYJLQYHDSWQV-VXGBXAGGSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000352402823 387146943 /nfs/dbraw/zinc/14/69/43/387146943.db2.gz QBWYJLQYHDSWQV-VXGBXAGGSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000352402823 387146946 /nfs/dbraw/zinc/14/69/46/387146946.db2.gz QBWYJLQYHDSWQV-VXGBXAGGSA-N 1 3 216.344 2.151 20 0 BEADHO N[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310970 387147799 /nfs/dbraw/zinc/14/77/99/387147799.db2.gz BBGSEXUXXSTHEE-KBPBESRZSA-N 1 3 234.318 2.140 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000423313247 387151914 /nfs/dbraw/zinc/15/19/14/387151914.db2.gz WQSYEGOIFPEXQV-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)C1(C)C ZINC000423316190 387156421 /nfs/dbraw/zinc/15/64/21/387156421.db2.gz ZQTJDWNOMFPSBO-RWMBFGLXSA-N 1 3 242.407 2.155 20 0 BEADHO N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000423316505 387157590 /nfs/dbraw/zinc/15/75/90/387157590.db2.gz JSSQSPODHAZMBM-UONOGXRCSA-N 1 3 216.328 2.001 20 0 BEADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ccco1 ZINC000423318599 387158447 /nfs/dbraw/zinc/15/84/47/387158447.db2.gz CPIZXQFJAUMTGF-LLVKDONJSA-N 1 3 222.332 2.320 20 0 BEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccs1 ZINC000423320615 387161455 /nfs/dbraw/zinc/16/14/55/387161455.db2.gz MILUONLIOZTOFN-SCZZXKLOSA-N 1 3 210.346 2.136 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H](N)C1CC1 ZINC000423321170 387162994 /nfs/dbraw/zinc/16/29/94/387162994.db2.gz MXCGIRRGUXISMY-DFKRKDTASA-N 1 3 248.345 2.386 20 0 BEADHO CC1(F)CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC000571748383 387167856 /nfs/dbraw/zinc/16/78/56/387167856.db2.gz IVMMZFMKBVATTN-UHFFFAOYSA-N 1 3 240.366 2.341 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](N)C1CC1 ZINC000423328078 387170929 /nfs/dbraw/zinc/17/09/29/387170929.db2.gz RYAPUJHWTUHDOE-KBPBESRZSA-N 1 3 246.354 2.009 20 0 BEADHO CCC(CC)N(CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000062911979 387173587 /nfs/dbraw/zinc/17/35/87/387173587.db2.gz BHVVYSQNJNDHRA-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423331684 387175917 /nfs/dbraw/zinc/17/59/17/387175917.db2.gz UTCBOHGYFCJUKI-QWHCGFSZSA-N 1 3 210.365 2.010 20 0 BEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000423330637 387176473 /nfs/dbraw/zinc/17/64/73/387176473.db2.gz PLWIEMWQZZJNME-OCCSQVGLSA-N 1 3 248.370 2.234 20 0 BEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc2c(c1)COC2 ZINC000423331730 387178153 /nfs/dbraw/zinc/17/81/53/387178153.db2.gz UUADZNSIEMLYLW-ZUZCIYMTSA-N 1 3 246.354 2.105 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccnc1 ZINC000423337388 387184980 /nfs/dbraw/zinc/18/49/80/387184980.db2.gz YHBCITKATZYZHY-ZIAGYGMSSA-N 1 3 233.359 2.106 20 0 BEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423337025 387185725 /nfs/dbraw/zinc/18/57/25/387185725.db2.gz HCAPBNHNUUDCGG-LLVKDONJSA-N 1 3 234.318 2.396 20 0 BEADHO CC(C)[C@H]([NH2+]C[C@H](N)C1CC1)c1cccnc1 ZINC000423337381 387186079 /nfs/dbraw/zinc/18/60/79/387186079.db2.gz YHBCITKATZYZHY-KBPBESRZSA-N 1 3 233.359 2.106 20 0 BEADHO c1ccc(CCCN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336794651 387190015 /nfs/dbraw/zinc/19/00/15/387190015.db2.gz DPDRBMHDXUSNPD-HOTGVXAUSA-N 1 3 244.382 2.303 20 0 BEADHO CCC[C@H]([NH2+]CC1(N)CCC1)c1cccnc1 ZINC000423341983 387190555 /nfs/dbraw/zinc/19/05/55/387190555.db2.gz YRDZYNKDWLZKSK-ZDUSSCGKSA-N 1 3 233.359 2.394 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CNC1 ZINC000423302180 387133998 /nfs/dbraw/zinc/13/39/98/387133998.db2.gz JEJYIQVZLPFBOE-BNOWGMLFSA-N 1 3 224.392 2.256 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423302869 387135359 /nfs/dbraw/zinc/13/53/59/387135359.db2.gz WDRWGJOWWFVCHZ-IUODEOHRSA-N 1 3 232.371 2.192 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)CN ZINC000423301799 387135399 /nfs/dbraw/zinc/13/53/99/387135399.db2.gz GNJPRYDJPZNAGJ-FDYHWXHSSA-N 1 3 212.381 2.386 20 0 BEADHO c1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423303570 387136257 /nfs/dbraw/zinc/13/62/57/387136257.db2.gz LZDJQUZWAVVYSH-CABCVRRESA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423303570 387136263 /nfs/dbraw/zinc/13/62/63/387136263.db2.gz LZDJQUZWAVVYSH-CABCVRRESA-N 1 3 230.355 2.132 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])[C@H](C)C2 ZINC000423302986 387137227 /nfs/dbraw/zinc/13/72/27/387137227.db2.gz IGLUTSJYWZEFKX-LALPHHSUSA-N 1 3 232.371 2.413 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN)[C@H](C)C2 ZINC000423302986 387137232 /nfs/dbraw/zinc/13/72/32/387137232.db2.gz IGLUTSJYWZEFKX-LALPHHSUSA-N 1 3 232.371 2.413 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1cccc(F)c1 ZINC000423305634 387141172 /nfs/dbraw/zinc/14/11/72/387141172.db2.gz KUDYPFCZMFNYRK-GXFFZTMASA-N 1 3 224.323 2.461 20 0 BEADHO COc1cccc2c1CCC[C@@H]2NCCC[NH3+] ZINC000643496762 387219383 /nfs/dbraw/zinc/21/93/83/387219383.db2.gz CVERTLGPAVYQFZ-ZDUSSCGKSA-N 1 3 234.343 2.011 20 0 BEADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000423368799 387220667 /nfs/dbraw/zinc/22/06/67/387220667.db2.gz NOEWGCGQHBPYFL-RDBSUJKOSA-N 1 3 233.359 2.392 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC12CCCC2 ZINC000423370002 387224111 /nfs/dbraw/zinc/22/41/11/387224111.db2.gz TZFIRTSJEBYFKI-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccnc1 ZINC000423425945 387253257 /nfs/dbraw/zinc/25/32/57/387253257.db2.gz DSIBYDJYIWSDAH-TUKIKUTGSA-N 1 3 245.370 2.120 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423396990 387233149 /nfs/dbraw/zinc/23/31/49/387233149.db2.gz NYWWEQUZRSUURU-MQYQWHSLSA-N 1 3 242.382 2.492 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000423406331 387244285 /nfs/dbraw/zinc/24/42/85/387244285.db2.gz UQJWGSUAWYLLMI-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccco1 ZINC000423420205 387248088 /nfs/dbraw/zinc/24/80/88/387248088.db2.gz AEQRIJOVXKUQEL-WCFLWFBJSA-N 1 3 234.343 2.318 20 0 BEADHO C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2(C1)CCCCC2 ZINC000423423963 387250150 /nfs/dbraw/zinc/25/01/50/387250150.db2.gz FBYHVLFKQJQZSF-RFQIPJPRSA-N 1 3 234.387 2.297 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423346501 387195064 /nfs/dbraw/zinc/19/50/64/387195064.db2.gz PVOGTQFMKQEYFK-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1C[C@H]1C ZINC000423348661 387200825 /nfs/dbraw/zinc/20/08/25/387200825.db2.gz UGXARFUCYAZQJI-FVCCEPFGSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccncc1CN1CCC(C[NH+](C)C)CC1 ZINC000353444728 387201517 /nfs/dbraw/zinc/20/15/17/387201517.db2.gz CIAFCTFTGLIOGD-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423466314 387314332 /nfs/dbraw/zinc/31/43/32/387314332.db2.gz NJIWPFITFLWVNU-UWVGGRQHSA-N 1 3 212.362 2.444 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000423466316 387315672 /nfs/dbraw/zinc/31/56/72/387315672.db2.gz NJIWPFITFLWVNU-ZJUUUORDSA-N 1 3 212.362 2.444 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC12CCC2 ZINC000423382451 387266600 /nfs/dbraw/zinc/26/66/00/387266600.db2.gz IPIGEGVPQDUAFT-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc(CN[C@H](C)CC[NH3+])c(C)s1 ZINC000572224072 387276855 /nfs/dbraw/zinc/27/68/55/387276855.db2.gz IITHWOYVLWVRQP-MRVPVSSYSA-N 1 3 212.362 2.192 20 0 BEADHO CNCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643498560 387277411 /nfs/dbraw/zinc/27/74/11/387277411.db2.gz APMYSAHNPIKXQV-OAHLLOKOSA-N 1 3 232.371 2.133 20 0 BEADHO C[NH2+]CCCN[C@@H]1CCCc2ccccc2C1 ZINC000643498560 387277414 /nfs/dbraw/zinc/27/74/14/387277414.db2.gz APMYSAHNPIKXQV-OAHLLOKOSA-N 1 3 232.371 2.133 20 0 BEADHO CCNCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000643498872 387277709 /nfs/dbraw/zinc/27/77/09/387277709.db2.gz QCZUQWDLMFALRM-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423431789 387283968 /nfs/dbraw/zinc/28/39/68/387283968.db2.gz AYKRRPMFIHKPEY-COPLHBTASA-N 1 3 233.359 2.259 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)(C)c1ccccc1 ZINC000423431549 387284045 /nfs/dbraw/zinc/28/40/45/387284045.db2.gz LTYSHONPBOQKES-RZFFKMDDSA-N 1 3 244.382 2.160 20 0 BEADHO CC(C)CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352525447 387288358 /nfs/dbraw/zinc/28/83/58/387288358.db2.gz GQCXSATXIFKEEB-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO c1ccc([C@@H]2CC[C@@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423438305 387288366 /nfs/dbraw/zinc/28/83/66/387288366.db2.gz RCTSXJJJGFWJLV-SUJAAXHWSA-N 1 3 242.366 2.130 20 0 BEADHO CC(C)CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352525446 387288952 /nfs/dbraw/zinc/28/89/52/387288952.db2.gz GQCXSATXIFKEEB-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H](C)N ZINC000423441059 387289543 /nfs/dbraw/zinc/28/95/43/387289543.db2.gz JASVGWNHYFOLKF-RWEMILLDSA-N 1 3 222.307 2.138 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000353910383 387296010 /nfs/dbraw/zinc/29/60/10/387296010.db2.gz DDYCFXBYOBHYFK-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H](C)N ZINC000423449568 387296622 /nfs/dbraw/zinc/29/66/22/387296622.db2.gz RUXLIRNXFYKPJQ-WDMOLILDSA-N 1 3 218.344 2.308 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)N)CCC2 ZINC000423449742 387297410 /nfs/dbraw/zinc/29/74/10/387297410.db2.gz RZDMGIMPLMBYFE-JRPNMDOOSA-N 1 3 248.370 2.398 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)[C@H](C)N ZINC000423449777 387298733 /nfs/dbraw/zinc/29/87/33/387298733.db2.gz SCJIYQINXSYXAH-TUAOUCFPSA-N 1 3 235.375 2.139 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N ZINC000423450358 387299446 /nfs/dbraw/zinc/29/94/46/387299446.db2.gz SRQSWFRVOPYZCF-GUBZILKMSA-N 1 3 212.362 2.443 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC[C@H]1C ZINC000423450309 387300120 /nfs/dbraw/zinc/30/01/20/387300120.db2.gz HGQQKHNJIBLGQS-FDFVQJQPSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)CCCN2 ZINC000423450098 387300451 /nfs/dbraw/zinc/30/04/51/387300451.db2.gz SICRYUSBUFDWOL-VXGBXAGGSA-N 1 3 247.386 2.260 20 0 BEADHO CC(C)CO[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423454120 387302586 /nfs/dbraw/zinc/30/25/86/387302586.db2.gz YPJZIHBIKQARQG-MROQNXINSA-N 1 3 242.407 2.151 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccoc1 ZINC000583257682 387305037 /nfs/dbraw/zinc/30/50/37/387305037.db2.gz QLYOVHWFWHGKOR-LEWSCRJBSA-N 1 3 234.343 2.318 20 0 BEADHO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cncs1 ZINC000423526918 387356866 /nfs/dbraw/zinc/35/68/66/387356866.db2.gz LWVPKRUFKMCPKV-MWLCHTKSSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cncc(F)c1 ZINC000423545114 387368852 /nfs/dbraw/zinc/36/88/52/387368852.db2.gz XQAIJZOFIDJLRO-LLVKDONJSA-N 1 3 249.333 2.181 20 0 BEADHO CC[C@@H]1C[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423545636 387369147 /nfs/dbraw/zinc/36/91/47/387369147.db2.gz JTDVKFWQQZYODZ-AAVRWANBSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@H]([NH2+]CCCNC1CC1)[C@H]1C[C@H]1C ZINC000423546528 387370832 /nfs/dbraw/zinc/37/08/32/387370832.db2.gz FLERSVUMBYSYSQ-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000423564695 387377822 /nfs/dbraw/zinc/37/78/22/387377822.db2.gz YADHTHRCLWTXAS-SDDRHHMPSA-N 1 3 242.432 2.235 20 0 BEADHO CO[C@@H](C)[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000373522730 387378822 /nfs/dbraw/zinc/37/88/22/387378822.db2.gz OAFOMBMOBIJYIQ-FEPKRQSRSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423476484 387324300 /nfs/dbraw/zinc/32/43/00/387324300.db2.gz SMWJAAIMPBKNGX-DGCLKSJQSA-N 1 3 222.307 2.140 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423485979 387332311 /nfs/dbraw/zinc/33/23/11/387332311.db2.gz ZHVRTQDBTBORJI-OLZOCXBDSA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccco1 ZINC000423488894 387334223 /nfs/dbraw/zinc/33/42/23/387334223.db2.gz FJLDNGZDHUBVFO-AXFHLTTASA-N 1 3 208.305 2.058 20 0 BEADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423491529 387335153 /nfs/dbraw/zinc/33/51/53/387335153.db2.gz ZINZNJSQJBQWPT-NEPJUHHUSA-N 1 3 222.332 2.462 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@H]1C ZINC000423498504 387339790 /nfs/dbraw/zinc/33/97/90/387339790.db2.gz BJOCHYPAJPOBON-XVLPMQGWSA-N 1 3 244.382 2.376 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@@H]1C ZINC000423498502 387340995 /nfs/dbraw/zinc/34/09/95/387340995.db2.gz BJOCHYPAJPOBON-DMVVEVTLSA-N 1 3 244.382 2.376 20 0 BEADHO CC(C)OC1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000643475974 387513970 /nfs/dbraw/zinc/51/39/70/387513970.db2.gz ZFPITISCIWAIKN-IWMBGFJWSA-N 1 3 242.407 2.438 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1NCC[NH2+]C1CC1 ZINC000643507789 387479051 /nfs/dbraw/zinc/47/90/51/387479051.db2.gz PPVRZWCQUAPLFP-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCCc1cccnc1)NCC[NH2+]C1CC1 ZINC000643507644 387480096 /nfs/dbraw/zinc/48/00/96/387480096.db2.gz LMQSWNREPUFGEO-ZDUSSCGKSA-N 1 3 247.386 2.134 20 0 BEADHO COc1cccc(C[C@H]2CCCN2CCC[NH3+])c1 ZINC000516258533 387490298 /nfs/dbraw/zinc/49/02/98/387490298.db2.gz GWKYWBZMIUFIMJ-CQSZACIVSA-N 1 3 248.370 2.051 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@H](C)Cc1cccs1 ZINC000643511615 387593414 /nfs/dbraw/zinc/59/34/14/387593414.db2.gz LEVINDVWEQCGQJ-PWSUYJOCSA-N 1 3 226.389 2.252 20 0 BEADHO N[C@H](C[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000422553051 387598062 /nfs/dbraw/zinc/59/80/62/387598062.db2.gz IUGNXSYNEHAHPD-OAHLLOKOSA-N 1 3 230.355 2.391 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643514877 387600071 /nfs/dbraw/zinc/60/00/71/387600071.db2.gz AAMLCFNWNFZBEO-SWLSCSKDSA-N 1 3 232.371 2.118 20 0 BEADHO C[C@@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CNC1 ZINC000422703567 387617768 /nfs/dbraw/zinc/61/77/68/387617768.db2.gz NJGFLXOERIIELJ-GMTAPVOTSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1CNC1 ZINC000422707166 387620041 /nfs/dbraw/zinc/62/00/41/387620041.db2.gz VUZMJWPHNPWNBX-WOPDTQHZSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](Cc1cccs1)NC[C@@H]([NH3+])C1CC1 ZINC000643516560 387627543 /nfs/dbraw/zinc/62/75/43/387627543.db2.gz SBOJZXAVVLYRSO-JOYOIKCWSA-N 1 3 224.373 2.006 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC000430605605 387632788 /nfs/dbraw/zinc/63/27/88/387632788.db2.gz STFGTPOTJXOQON-INIZCTEOSA-N 1 3 246.398 2.469 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C1CNC1 ZINC000422729330 387638628 /nfs/dbraw/zinc/63/86/28/387638628.db2.gz KMXFUSMUUJSPGA-DCQANWLSSA-N 1 3 210.365 2.009 20 0 BEADHO CCCCOCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422729952 387638878 /nfs/dbraw/zinc/63/88/78/387638878.db2.gz LQJZSTSWDZOCRX-KBPBESRZSA-N 1 3 242.407 2.171 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527647771 387640393 /nfs/dbraw/zinc/64/03/93/387640393.db2.gz RWRGQXCTILMGBZ-HNNXBMFYSA-N 1 3 247.386 2.212 20 0 BEADHO CC[C@@H](NCC1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000422735752 387643570 /nfs/dbraw/zinc/64/35/70/387643570.db2.gz VCVVOVZHUHYANH-OLZOCXBDSA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCCN1 ZINC000422735752 387643572 /nfs/dbraw/zinc/64/35/72/387643572.db2.gz VCVVOVZHUHYANH-OLZOCXBDSA-N 1 3 242.432 2.250 20 0 BEADHO CO[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422738670 387646374 /nfs/dbraw/zinc/64/63/74/387646374.db2.gz JSLIVWWHKWPRQL-RBSFLKMASA-N 1 3 248.370 2.091 20 0 BEADHO Cc1ccccc1C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000422746494 387650272 /nfs/dbraw/zinc/65/02/72/387650272.db2.gz WQWNPQJRPCZTOK-OLZOCXBDSA-N 1 3 232.371 2.124 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422746494 387650278 /nfs/dbraw/zinc/65/02/78/387650278.db2.gz WQWNPQJRPCZTOK-OLZOCXBDSA-N 1 3 232.371 2.124 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccccc1 ZINC000422748876 387653128 /nfs/dbraw/zinc/65/31/28/387653128.db2.gz WOEOOLOKOBTHLC-CABCVRRESA-N 1 3 232.371 2.479 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422752295 387654856 /nfs/dbraw/zinc/65/48/56/387654856.db2.gz DPHCQRGDOJKMDR-MRVWCRGKSA-N 1 3 218.344 2.260 20 0 BEADHO Cc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422750301 387655112 /nfs/dbraw/zinc/65/51/12/387655112.db2.gz CRBRTTXFYVGPQF-XYPWUTKMSA-N 1 3 244.382 2.410 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](c1ccccc1)N(C)C ZINC000422750978 387656593 /nfs/dbraw/zinc/65/65/93/387656593.db2.gz FCFPTKOTCWOYCF-KCQAQPDRSA-N 1 3 249.402 2.005 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCSc1ccccc1 ZINC000422756380 387657831 /nfs/dbraw/zinc/65/78/31/387657831.db2.gz CHLLERLFWYRZCJ-NEPJUHHUSA-N 1 3 238.400 2.494 20 0 BEADHO c1cc2ccc(CNCCC[NH+]3CCC3)cc2[nH]1 ZINC000527683422 387658392 /nfs/dbraw/zinc/65/83/92/387658392.db2.gz GIJIOJZKTCXGLB-UHFFFAOYSA-N 1 3 243.354 2.353 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000422754792 387658499 /nfs/dbraw/zinc/65/84/99/387658499.db2.gz GENZUGMIJVDXRP-WISYIIOYSA-N 1 3 230.421 2.376 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527686844 387658443 /nfs/dbraw/zinc/65/84/43/387658443.db2.gz XTGPEDRPGKZJEF-UGFHNGPFSA-N 1 3 234.387 2.273 20 0 BEADHO Cc1ccc(OCCN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422753889 387658535 /nfs/dbraw/zinc/65/85/35/387658535.db2.gz IYUAUAYUFSUAAD-STQMWFEESA-N 1 3 236.359 2.089 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCSc1ccccc1 ZINC000422756382 387661262 /nfs/dbraw/zinc/66/12/62/387661262.db2.gz CHLLERLFWYRZCJ-RYUDHWBXSA-N 1 3 238.400 2.494 20 0 BEADHO CC[C@@H](NC[C@@H](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422774633 387673436 /nfs/dbraw/zinc/67/34/36/387673436.db2.gz XURLALZVJHHOEE-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)C(C)C)[C@@H]1CCCN1 ZINC000422774633 387673439 /nfs/dbraw/zinc/67/34/39/387673439.db2.gz XURLALZVJHHOEE-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO COc1cc(CCN[C@H]2CCC[C@H]2[NH3+])ccc1C ZINC000422775113 387673508 /nfs/dbraw/zinc/67/35/08/387673508.db2.gz ACSQLWNKLLLWRN-KGLIPLIRSA-N 1 3 248.370 2.016 20 0 BEADHO COc1ccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422777271 387674304 /nfs/dbraw/zinc/67/43/04/387674304.db2.gz FGIVLPMDBJETIX-SRVKXCTJSA-N 1 3 236.359 2.472 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)s1 ZINC000422870626 387748995 /nfs/dbraw/zinc/74/89/95/387748995.db2.gz ZCRMOGZJYNSZNN-RYUDHWBXSA-N 1 3 224.373 2.280 20 0 BEADHO CO[C@H](C)[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128532058 387749558 /nfs/dbraw/zinc/74/95/58/387749558.db2.gz YETHDJPOROILNJ-WDEREUQCSA-N 1 3 242.407 2.309 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128532058 387749564 /nfs/dbraw/zinc/74/95/64/387749564.db2.gz YETHDJPOROILNJ-WDEREUQCSA-N 1 3 242.407 2.309 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000128554177 387750033 /nfs/dbraw/zinc/75/00/33/387750033.db2.gz IJROWCHYEGUBNK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000128554177 387750038 /nfs/dbraw/zinc/75/00/38/387750038.db2.gz IJROWCHYEGUBNK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000128554177 387750044 /nfs/dbraw/zinc/75/00/44/387750044.db2.gz IJROWCHYEGUBNK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CN[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000150060664 387698673 /nfs/dbraw/zinc/69/86/73/387698673.db2.gz XCYSYKUBEYTKBT-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CN[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000150060664 387698678 /nfs/dbraw/zinc/69/86/78/387698678.db2.gz XCYSYKUBEYTKBT-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C1CNC1 ZINC000422796286 387699822 /nfs/dbraw/zinc/69/98/22/387699822.db2.gz YCHCPNNDFGWCME-KZVDOYCCSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2ccccc21 ZINC000422799509 387700018 /nfs/dbraw/zinc/70/00/18/387700018.db2.gz XCEPZKVALARYFS-MISXGVKJSA-N 1 3 218.344 2.389 20 0 BEADHO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)C(C)(C)C ZINC000422801759 387702518 /nfs/dbraw/zinc/70/25/18/387702518.db2.gz AMYVHYXBLAGMMY-FRRDWIJNSA-N 1 3 242.407 2.155 20 0 BEADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000422805551 387705103 /nfs/dbraw/zinc/70/51/03/387705103.db2.gz JKULZGQFELGILN-FUNVUKJBSA-N 1 3 236.384 2.163 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1cccs1 ZINC000422809410 387707597 /nfs/dbraw/zinc/70/75/97/387707597.db2.gz PQLCXJTXHUUGCC-DCAQKATOSA-N 1 3 226.389 2.395 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000422809410 387707602 /nfs/dbraw/zinc/70/76/02/387707602.db2.gz PQLCXJTXHUUGCC-DCAQKATOSA-N 1 3 226.389 2.395 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000422812164 387711791 /nfs/dbraw/zinc/71/17/91/387711791.db2.gz QBMLRZBXOLTTSF-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]CCC1CCCCC1)C1CNC1 ZINC000422813951 387712235 /nfs/dbraw/zinc/71/22/35/387712235.db2.gz ZHXWNFVGQRITEM-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO C[NH+](C)CCCCNCc1ccccc1F ZINC000045598298 387714349 /nfs/dbraw/zinc/71/43/49/387714349.db2.gz NJVWCSBBBLTHKX-UHFFFAOYSA-N 1 3 224.323 2.257 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422816193 387714717 /nfs/dbraw/zinc/71/47/17/387714717.db2.gz ZIENQSPDUCPRSK-UKRRQHHQSA-N 1 3 244.382 2.435 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCSCC1 ZINC000643522570 387719815 /nfs/dbraw/zinc/71/98/15/387719815.db2.gz PNMJAISLZFFNCE-DGCLKSJQSA-N 1 3 242.432 2.250 20 0 BEADHO C1CC2(C1)CCC[C@H]2[NH2+][C@@H]1CCCNCC1 ZINC000643522769 387722078 /nfs/dbraw/zinc/72/20/78/387722078.db2.gz FFZMVVYBMYRENG-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1C[C@@H]1C ZINC000643522969 387724442 /nfs/dbraw/zinc/72/44/42/387724442.db2.gz QSIIMYCWLIVITC-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NCC(C)(C)c1ccccc1)C1C[NH2+]C1 ZINC000422831954 387725985 /nfs/dbraw/zinc/72/59/85/387725985.db2.gz KKKQHMGGZMBLFA-GFCCVEGCSA-N 1 3 232.371 2.162 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)C1CNC1 ZINC000422831954 387725990 /nfs/dbraw/zinc/72/59/90/387725990.db2.gz KKKQHMGGZMBLFA-GFCCVEGCSA-N 1 3 232.371 2.162 20 0 BEADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1F ZINC000422789685 387730381 /nfs/dbraw/zinc/73/03/81/387730381.db2.gz BKZLHXBQMLPSON-QWRGUYRKSA-N 1 3 224.323 2.350 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422897167 387766426 /nfs/dbraw/zinc/76/64/26/387766426.db2.gz JGPDYIMRUPTMPB-KGLIPLIRSA-N 1 3 248.345 2.327 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422897166 387766523 /nfs/dbraw/zinc/76/65/23/387766523.db2.gz JGPDYIMRUPTMPB-KBPBESRZSA-N 1 3 248.345 2.327 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422904443 387767832 /nfs/dbraw/zinc/76/78/32/387767832.db2.gz PYLOCCUTFQRFSC-YIYPIFLZSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H](Cc1ccc(C)cc1)NC[C@@H](C)[NH3+] ZINC000643528562 387768915 /nfs/dbraw/zinc/76/89/15/387768915.db2.gz LLLGZSHSIXNOJW-TZMCWYRMSA-N 1 3 220.360 2.253 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCc2ccccc21 ZINC000422909135 387769125 /nfs/dbraw/zinc/76/91/25/387769125.db2.gz NKBGUJAIULGZMX-YUELXQCFSA-N 1 3 230.355 2.186 20 0 BEADHO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)C[C@H](C)N ZINC000422922009 387777714 /nfs/dbraw/zinc/77/77/14/387777714.db2.gz RPDWTFKZEJJSEC-XDQVBPFNSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000422922025 387778184 /nfs/dbraw/zinc/77/81/84/387778184.db2.gz PLIGPVUQYCPUPH-ZLKJLUDKSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C1CNC1 ZINC000422922025 387778187 /nfs/dbraw/zinc/77/81/87/387778187.db2.gz PLIGPVUQYCPUPH-ZLKJLUDKSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](NC1(Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000422960212 387812336 /nfs/dbraw/zinc/81/23/36/387812336.db2.gz VRVMVTGPVQISHI-ZDUSSCGKSA-N 1 3 244.382 2.349 20 0 BEADHO C[C@H]([NH2+]C1(Cc2ccccc2)CCC1)C1CNC1 ZINC000422960212 387812339 /nfs/dbraw/zinc/81/23/39/387812339.db2.gz VRVMVTGPVQISHI-ZDUSSCGKSA-N 1 3 244.382 2.349 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422926613 387779306 /nfs/dbraw/zinc/77/93/06/387779306.db2.gz XBQPMZCSVZZFBH-XUWVNRHRSA-N 1 3 244.382 2.335 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000422926613 387779312 /nfs/dbraw/zinc/77/93/12/387779312.db2.gz XBQPMZCSVZZFBH-XUWVNRHRSA-N 1 3 244.382 2.335 20 0 BEADHO CCCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422926981 387779746 /nfs/dbraw/zinc/77/97/46/387779746.db2.gz FJOBOLXNCGXCNS-FUNVUKJBSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H](C)C2CNC2)c(C)c1 ZINC000643457125 387780404 /nfs/dbraw/zinc/78/04/04/387780404.db2.gz YVCZMUDOIYSEQU-AWEZNQCLSA-N 1 3 246.398 2.434 20 0 BEADHO Cc1ccc(CCCN[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000643457125 387780408 /nfs/dbraw/zinc/78/04/08/387780408.db2.gz YVCZMUDOIYSEQU-AWEZNQCLSA-N 1 3 246.398 2.434 20 0 BEADHO CCC(CC)(CC)C[NH2+][C@H](C)C1CNC1 ZINC000422931885 387780577 /nfs/dbraw/zinc/78/05/77/387780577.db2.gz YICZGDMTSZJAGW-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1OC ZINC000422937735 387783101 /nfs/dbraw/zinc/78/31/01/387783101.db2.gz KCKWSUJGTPKFFN-UMSGYPCISA-N 1 3 240.391 2.050 20 0 BEADHO Cc1cccc(C)c1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422934954 387783120 /nfs/dbraw/zinc/78/31/20/387783120.db2.gz GVNURYSEVMCWRE-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1cccc(C)c1CC[NH2+][C@@H](C)C1CNC1 ZINC000422934954 387783124 /nfs/dbraw/zinc/78/31/24/387783124.db2.gz GVNURYSEVMCWRE-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO C[C@H](NCCc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000422944080 387785584 /nfs/dbraw/zinc/78/55/84/387785584.db2.gz RMCGEVDYVNSEAE-QMMMGPOBSA-N 1 3 244.791 2.142 20 0 BEADHO C[C@H]([NH2+]CCc1ccc(Cl)s1)C1CNC1 ZINC000422944080 387785587 /nfs/dbraw/zinc/78/55/87/387785587.db2.gz RMCGEVDYVNSEAE-QMMMGPOBSA-N 1 3 244.791 2.142 20 0 BEADHO Cc1cccc(C)c1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422945101 387785613 /nfs/dbraw/zinc/78/56/13/387785613.db2.gz UAKVLSMLBQBKPN-GJZGRUSLSA-N 1 3 232.371 2.315 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000422981032 387791226 /nfs/dbraw/zinc/79/12/26/387791226.db2.gz RXHRYCQCUGFETI-QLNSKBQOSA-N 1 3 216.328 2.169 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000422986708 387795029 /nfs/dbraw/zinc/79/50/29/387795029.db2.gz HENDSFOIGIUVQS-FRRDWIJNSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000422991658 387800100 /nfs/dbraw/zinc/80/01/00/387800100.db2.gz PYPCZMNEYKYUNQ-XUXIUFHCSA-N 1 3 242.407 2.033 20 0 BEADHO CCOc1cccc(CCN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422991762 387800512 /nfs/dbraw/zinc/80/05/12/387800512.db2.gz BOFBPJDKMPRAEN-LSDHHAIUSA-N 1 3 248.370 2.097 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422992866 387800953 /nfs/dbraw/zinc/80/09/53/387800953.db2.gz RVAXOEOZMRQXMD-QSDOXLQRSA-N 1 3 244.382 2.288 20 0 BEADHO COc1cc(C)cc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423001382 387805495 /nfs/dbraw/zinc/80/54/95/387805495.db2.gz IBGOSYUQRCLNAX-HIFRSBDPSA-N 1 3 248.370 2.221 20 0 BEADHO COc1cccc(CCCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422949481 387807586 /nfs/dbraw/zinc/80/75/86/387807586.db2.gz VGFBBEZNNWKGEH-CABCVRRESA-N 1 3 248.370 2.097 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000643527041 387759292 /nfs/dbraw/zinc/75/92/92/387759292.db2.gz CFBIPNJURWATFP-MFKMUULPSA-N 1 3 204.317 2.075 20 0 BEADHO C[C@H](N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000643527057 387759849 /nfs/dbraw/zinc/75/98/49/387759849.db2.gz COEPVTWVMNSRME-QPUJVOFHSA-N 1 3 224.735 2.264 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422888755 387759945 /nfs/dbraw/zinc/75/99/45/387759945.db2.gz NTMLAPCPDYEJTE-RWMBFGLXSA-N 1 3 248.370 2.268 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCOc2ccccc21 ZINC000422888755 387759953 /nfs/dbraw/zinc/75/99/53/387759953.db2.gz NTMLAPCPDYEJTE-RWMBFGLXSA-N 1 3 248.370 2.268 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432796995 387821938 /nfs/dbraw/zinc/82/19/38/387821938.db2.gz JMJIMIQSQHVICG-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432796995 387821942 /nfs/dbraw/zinc/82/19/42/387821942.db2.gz JMJIMIQSQHVICG-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@@H](NC[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422974822 387822908 /nfs/dbraw/zinc/82/29/08/387822908.db2.gz RTZNDSAXOYMLDI-MJBXVCDLSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422974822 387822914 /nfs/dbraw/zinc/82/29/14/387822914.db2.gz RTZNDSAXOYMLDI-MJBXVCDLSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@H](NC[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422974820 387823232 /nfs/dbraw/zinc/82/32/32/387823232.db2.gz RTZNDSAXOYMLDI-IHRRRGAJSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422974820 387823239 /nfs/dbraw/zinc/82/32/39/387823239.db2.gz RTZNDSAXOYMLDI-IHRRRGAJSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1Cc2ccccc2C1 ZINC000422976014 387826955 /nfs/dbraw/zinc/82/69/55/387826955.db2.gz CRWOEWDARUYNML-NWDGAFQWSA-N 1 3 232.371 2.117 20 0 BEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1COc2ccccc21 ZINC000423007236 387829240 /nfs/dbraw/zinc/82/92/40/387829240.db2.gz XDHHXSSSFNDMMH-CIQGVGRVSA-N 1 3 248.370 2.267 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)[C@H]1COc2ccccc21 ZINC000423007236 387829242 /nfs/dbraw/zinc/82/92/42/387829242.db2.gz XDHHXSSSFNDMMH-CIQGVGRVSA-N 1 3 248.370 2.267 20 0 BEADHO Cc1ccc(CC[C@@H](C)N[C@H](C)C2C[NH2+]C2)o1 ZINC000423009908 387834770 /nfs/dbraw/zinc/83/47/70/387834770.db2.gz WJZPCNHYAWHOJB-ZYHUDNBSSA-N 1 3 236.359 2.107 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C2CNC2)o1 ZINC000423009908 387834774 /nfs/dbraw/zinc/83/47/74/387834774.db2.gz WJZPCNHYAWHOJB-ZYHUDNBSSA-N 1 3 236.359 2.107 20 0 BEADHO CC(C)CSCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000423014868 387838337 /nfs/dbraw/zinc/83/83/37/387838337.db2.gz PYEQKZWFPSIPSP-VXGBXAGGSA-N 1 3 232.437 2.481 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000423035474 387851314 /nfs/dbraw/zinc/85/13/14/387851314.db2.gz JOCURWWEOUFBHA-RWMBFGLXSA-N 1 3 228.380 2.051 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)CC(F)(F)F ZINC000423052977 387860711 /nfs/dbraw/zinc/86/07/11/387860711.db2.gz RQFZUBHUBXPZGM-XLPZGREQSA-N 1 3 212.259 2.043 20 0 BEADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc(O)c1 ZINC000643534946 387862020 /nfs/dbraw/zinc/86/20/20/387862020.db2.gz GEFTZIXJRFRUBN-SMDDNHRTSA-N 1 3 246.354 2.185 20 0 BEADHO c1cc2c(o1)CCC[C@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643535590 387864235 /nfs/dbraw/zinc/86/42/35/387864235.db2.gz NJEMWYNBWLKPQT-TZMCWYRMSA-N 1 3 246.354 2.389 20 0 BEADHO CC(C)C(C[NH2+][C@H](C)C1CNC1)C(C)C ZINC000423073240 387874605 /nfs/dbraw/zinc/87/46/05/387874605.db2.gz RBCWLGHPGCXTGP-LLVKDONJSA-N 1 3 212.381 2.112 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000423060315 387866092 /nfs/dbraw/zinc/86/60/92/387866092.db2.gz OEJPINXTEWDOLP-WDEREUQCSA-N 1 3 200.370 2.384 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccncc1 ZINC000643460298 387874643 /nfs/dbraw/zinc/87/46/43/387874643.db2.gz NDMCWUSBDJAMGC-NFAWXSAZSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536164 387867944 /nfs/dbraw/zinc/86/79/44/387867944.db2.gz RZFBKWTVSKCGLS-CMPLNLGQSA-N 1 3 220.316 2.072 20 0 BEADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536167 387868012 /nfs/dbraw/zinc/86/80/12/387868012.db2.gz RZFBKWTVSKCGLS-ZYHUDNBSSA-N 1 3 220.316 2.072 20 0 BEADHO CCC(O)(CC)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423065803 387869624 /nfs/dbraw/zinc/86/96/24/387869624.db2.gz CMMCAQKADDCQRT-STQMWFEESA-N 1 3 242.407 2.177 20 0 BEADHO C[C@H](CCC[NH3+])NCc1ccc2c(n1)CCCC2 ZINC000423072117 387871071 /nfs/dbraw/zinc/87/10/71/387871071.db2.gz GTMZUTZRMLZFNU-GFCCVEGCSA-N 1 3 247.386 2.177 20 0 BEADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](C)N ZINC000442656101 387815329 /nfs/dbraw/zinc/81/53/29/387815329.db2.gz DOCQMWPUBFETBO-JSGCOSHPSA-N 1 3 248.370 2.049 20 0 BEADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](C)N ZINC000442656101 387815332 /nfs/dbraw/zinc/81/53/32/387815332.db2.gz DOCQMWPUBFETBO-JSGCOSHPSA-N 1 3 248.370 2.049 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC1(C(F)(F)F)CCC1 ZINC000423111863 387893734 /nfs/dbraw/zinc/89/37/34/387893734.db2.gz RABOSKXSZDCJKM-DTWKUNHWSA-N 1 3 238.297 2.434 20 0 BEADHO CCC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423076296 387877212 /nfs/dbraw/zinc/87/72/12/387877212.db2.gz QTMUIJWYCQLTQO-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423083672 387878187 /nfs/dbraw/zinc/87/81/87/387878187.db2.gz GFYREANMORHCIA-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2ncccc2c1 ZINC000423081453 387879392 /nfs/dbraw/zinc/87/93/92/387879392.db2.gz BSBDNOKQTMGMFB-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)C1C[NH2+]C1 ZINC000423092381 387883782 /nfs/dbraw/zinc/88/37/82/387883782.db2.gz BRTRFWNZECHZAJ-IXPVHAAZSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CNC1 ZINC000423092381 387883785 /nfs/dbraw/zinc/88/37/85/387883785.db2.gz BRTRFWNZECHZAJ-IXPVHAAZSA-N 1 3 248.345 2.269 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423095866 387884307 /nfs/dbraw/zinc/88/43/07/387884307.db2.gz NHHROIYZSRSNOA-RFQIPJPRSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1ccccc1F ZINC000423095432 387884911 /nfs/dbraw/zinc/88/49/11/387884911.db2.gz MDLLCPIJBMXXPA-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCc1ccccc1F ZINC000423095432 387884915 /nfs/dbraw/zinc/88/49/15/387884915.db2.gz MDLLCPIJBMXXPA-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423095821 387885421 /nfs/dbraw/zinc/88/54/21/387885421.db2.gz NBZPZLWTEIQICK-OUAUKWLOSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000423098909 387887177 /nfs/dbraw/zinc/88/71/77/387887177.db2.gz SXYGHVGSWXHETB-UWVGGRQHSA-N 1 3 212.381 2.384 20 0 BEADHO COCC[C@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)C ZINC000423117233 387899313 /nfs/dbraw/zinc/89/93/13/387899313.db2.gz UIRYAUYCLAEEGZ-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO COCC[C@H]([NH2+][C@H]1CCCNCC1)C(C)(C)C ZINC000423117235 387899336 /nfs/dbraw/zinc/89/93/36/387899336.db2.gz UIRYAUYCLAEEGZ-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000423118052 387900240 /nfs/dbraw/zinc/90/02/40/387900240.db2.gz YOTKNDDJHFAZQH-WUHRBBMRSA-N 1 3 242.407 2.296 20 0 BEADHO CO[C@H](C)[C@@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423125611 387904541 /nfs/dbraw/zinc/90/45/41/387904541.db2.gz AKZUMSHHSGBLFG-REWJHTLYSA-N 1 3 242.407 2.310 20 0 BEADHO C=Cc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000423125552 387905792 /nfs/dbraw/zinc/90/57/92/387905792.db2.gz ADXJHSFMMJABKE-BBRMVZONSA-N 1 3 244.382 2.460 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000423129214 387907324 /nfs/dbraw/zinc/90/73/24/387907324.db2.gz QWFFHISOUWFSEM-FVCCEPFGSA-N 1 3 228.355 2.387 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CNC1 ZINC000423130116 387907660 /nfs/dbraw/zinc/90/76/60/387907660.db2.gz MJDTVFHCZXTLHI-MNOVXSKESA-N 1 3 246.345 2.400 20 0 BEADHO COCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCCC1 ZINC000423134764 387912560 /nfs/dbraw/zinc/91/25/60/387912560.db2.gz FHDUTIUQXGPHAP-STQMWFEESA-N 1 3 242.407 2.299 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000423136860 387914674 /nfs/dbraw/zinc/91/46/74/387914674.db2.gz ZQEYQKSYSLWRNF-SEZDTBSWSA-N 1 3 236.281 2.044 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)C1CNC1 ZINC000423135906 387914719 /nfs/dbraw/zinc/91/47/19/387914719.db2.gz OOWYJNXGPSXSFC-CMPLNLGQSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](NC1(Cc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000423155837 387934042 /nfs/dbraw/zinc/93/40/42/387934042.db2.gz LUAYFHSSZXUING-NSHDSACASA-N 1 3 248.345 2.098 20 0 BEADHO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)C1CNC1 ZINC000423155837 387934044 /nfs/dbraw/zinc/93/40/44/387934044.db2.gz LUAYFHSSZXUING-NSHDSACASA-N 1 3 248.345 2.098 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000423155546 387934346 /nfs/dbraw/zinc/93/43/46/387934346.db2.gz QQWMARWJKGRSLO-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423155544 387934833 /nfs/dbraw/zinc/93/48/33/387934833.db2.gz QQWMARWJKGRSLO-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C1CNC1 ZINC000423157872 387936074 /nfs/dbraw/zinc/93/60/74/387936074.db2.gz BTKCKWBMIWQKOV-RYUDHWBXSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423157648 387936477 /nfs/dbraw/zinc/93/64/77/387936477.db2.gz BKNZWJQKWIZFAK-FDYHWXHSSA-N 1 3 242.407 2.153 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145446 387922308 /nfs/dbraw/zinc/92/23/08/387922308.db2.gz KROIIFBEYNSCBR-NOOOWODRSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(C)(F)F ZINC000423145042 387923197 /nfs/dbraw/zinc/92/31/97/387923197.db2.gz ITUGVDSJMWHURG-ZJUUUORDSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000423145042 387923200 /nfs/dbraw/zinc/92/32/00/387923200.db2.gz ITUGVDSJMWHURG-ZJUUUORDSA-N 1 3 220.307 2.009 20 0 BEADHO Cc1ccc(F)c(CCN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423147029 387925838 /nfs/dbraw/zinc/92/58/38/387925838.db2.gz BTJNDKRHKWZXJQ-VXGBXAGGSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1ccc(F)c(CC[NH2+][C@H](C)C[C@@H](C)N)c1 ZINC000423147029 387925842 /nfs/dbraw/zinc/92/58/42/387925842.db2.gz BTJNDKRHKWZXJQ-VXGBXAGGSA-N 1 3 238.350 2.392 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000423160736 387941098 /nfs/dbraw/zinc/94/10/98/387941098.db2.gz HTOLXPIDFCKTNB-JLUCKKNBSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)C1CNC1 ZINC000423160999 387942070 /nfs/dbraw/zinc/94/20/70/387942070.db2.gz IHJBRYZLYHMFMO-NSHDSACASA-N 1 3 222.376 2.320 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162397 387943925 /nfs/dbraw/zinc/94/39/25/387943925.db2.gz LAHCWWPJWNOWLQ-XDQVBPFNSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CNC1 ZINC000423164756 387948602 /nfs/dbraw/zinc/94/86/02/387948602.db2.gz ACAWVZOSSQZSEH-FKTRJACZSA-N 1 3 232.318 2.008 20 0 BEADHO COC1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423172321 387958844 /nfs/dbraw/zinc/95/88/44/387958844.db2.gz SEXYCCGINHVOSS-GFJIZPEISA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](CCc1ccc(Cl)s1)NCC[NH3+] ZINC000423175739 387961217 /nfs/dbraw/zinc/96/12/17/387961217.db2.gz BAGJFTQWMFSBOQ-MRVPVSSYSA-N 1 3 232.780 2.271 20 0 BEADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN)cc1 ZINC000423179435 387965814 /nfs/dbraw/zinc/96/58/14/387965814.db2.gz DFHQYHJNPQYZRM-NEPJUHHUSA-N 1 3 236.359 2.126 20 0 BEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCNCC1 ZINC000423184631 387969144 /nfs/dbraw/zinc/96/91/44/387969144.db2.gz MJMGEOKUXGKGHY-SWLSCSKDSA-N 1 3 248.370 2.104 20 0 BEADHO C[C@@H](NC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423170275 387956720 /nfs/dbraw/zinc/95/67/20/387956720.db2.gz XQYZSSYQQLKKCP-SAXRGWBVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423170766 387956997 /nfs/dbraw/zinc/95/69/97/387956997.db2.gz YULOCWKZSKEVHA-PYJNHQTQSA-N 1 3 222.376 2.010 20 0 BEADHO CCN1CC[C@H]([N@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748993 387981097 /nfs/dbraw/zinc/98/10/97/387981097.db2.gz NLSGIZXCDASZHO-ZFWWWQNUSA-N 1 3 249.402 2.187 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748993 387981099 /nfs/dbraw/zinc/98/10/99/387981099.db2.gz NLSGIZXCDASZHO-ZFWWWQNUSA-N 1 3 249.402 2.187 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000423189745 387974679 /nfs/dbraw/zinc/97/46/79/387974679.db2.gz RJDJLUBKTACGKL-WCQYABFASA-N 1 3 228.355 2.246 20 0 BEADHO CCCC[C@H](C)[C@@H](C)[NH2+]CCCNC ZINC000423201438 387988047 /nfs/dbraw/zinc/98/80/47/387988047.db2.gz ORJRCERJMKJQOX-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCCCC2)[C@H](C)O1 ZINC000423204550 387990054 /nfs/dbraw/zinc/99/00/54/387990054.db2.gz URJYHAJBJJWZTG-AGIUHOORSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCCCC2)[C@@H](C)O1 ZINC000423204553 387990998 /nfs/dbraw/zinc/99/09/98/387990998.db2.gz URJYHAJBJJWZTG-UPJWGTAASA-N 1 3 240.391 2.194 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1C[C@@H]1C ZINC000423205622 387991037 /nfs/dbraw/zinc/99/10/37/387991037.db2.gz FGIYLXSMNBIONZ-LOWDOPEQSA-N 1 3 210.365 2.010 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423204737 387991713 /nfs/dbraw/zinc/99/17/13/387991713.db2.gz DQAUTQNQFMKAAC-RDBSUJKOSA-N 1 3 242.382 2.494 20 0 BEADHO CO[C@H](C)[C@@H](C)NCC1([NH3+])CCCCCC1 ZINC000423207689 387993107 /nfs/dbraw/zinc/99/31/07/387993107.db2.gz YEFLYOSHUCXCGT-VXGBXAGGSA-N 1 3 228.380 2.051 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423207689 387993109 /nfs/dbraw/zinc/99/31/09/387993109.db2.gz YEFLYOSHUCXCGT-VXGBXAGGSA-N 1 3 228.380 2.051 20 0 BEADHO C[NH2+]CCCN[C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423198064 387983363 /nfs/dbraw/zinc/98/33/63/387983363.db2.gz CUIFOYQCGAXFIM-QWHCGFSZSA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000423201705 387987059 /nfs/dbraw/zinc/98/70/59/387987059.db2.gz JCLYVLMQJXVSEH-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C12CCCC2 ZINC000423226850 388011252 /nfs/dbraw/zinc/01/12/52/388011252.db2.gz SNQCDUCBHZPYMA-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)C12CCCC2 ZINC000423226850 388011257 /nfs/dbraw/zinc/01/12/57/388011257.db2.gz SNQCDUCBHZPYMA-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424372121 387997288 /nfs/dbraw/zinc/99/72/88/387997288.db2.gz HCEWVMIPPHOBAK-FDYHWXHSSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@H]1CCCNC1 ZINC000423216061 387997492 /nfs/dbraw/zinc/99/74/92/387997492.db2.gz NYLFJHSSVPZARB-BNDIWNMDSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420410159 387999471 /nfs/dbraw/zinc/99/94/71/387999471.db2.gz RDDWRYMFLLYILQ-YDHLFZDLSA-N 1 3 248.370 2.091 20 0 BEADHO CC[NH+]1CCC(N[C@H](C)CC(F)(F)F)CC1 ZINC000159322777 388007683 /nfs/dbraw/zinc/00/76/83/388007683.db2.gz VDUTZUKRCQRHSN-SECBINFHSA-N 1 3 238.297 2.401 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCc2cc(F)ccc21 ZINC000423224910 388008080 /nfs/dbraw/zinc/00/80/80/388008080.db2.gz KLKJCKFEVSHXDP-TVQRCGJNSA-N 1 3 222.307 2.140 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H]1CC1(C)C ZINC000423212298 387996178 /nfs/dbraw/zinc/99/61/78/387996178.db2.gz IAOWMHFYQDPLRM-QNWHQSFQSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424372770 387996355 /nfs/dbraw/zinc/99/63/55/387996355.db2.gz HLBQDHXIWJQNFE-UQOMUDLDSA-N 1 3 236.403 2.400 20 0 BEADHO Cc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423241484 388024529 /nfs/dbraw/zinc/02/45/29/388024529.db2.gz XVZWGZJCUDZONU-RYUDHWBXSA-N 1 3 206.333 2.383 20 0 BEADHO C[NH2+]CCN[C@H](C)C1CCC(F)(F)CC1 ZINC000423240454 388024807 /nfs/dbraw/zinc/02/48/07/388024807.db2.gz GXXGRNZFMSOHCD-SECBINFHSA-N 1 3 220.307 2.009 20 0 BEADHO CC[NH2+]CCN[C@H](CCC(C)C)C1CC1 ZINC000423240874 388024952 /nfs/dbraw/zinc/02/49/52/388024952.db2.gz UEMJCOUXLLSLRB-CYBMUJFWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423226807 388011603 /nfs/dbraw/zinc/01/16/03/388011603.db2.gz SKJAAHZTZANQRF-SWLSCSKDSA-N 1 3 232.371 2.335 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)NCC[C@H](C)[NH3+] ZINC000423227204 388011931 /nfs/dbraw/zinc/01/19/31/388011931.db2.gz UVNZJBCRKUMVQD-OBJOEFQTSA-N 1 3 236.359 2.090 20 0 BEADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C1(CC)CC ZINC000423227839 388013704 /nfs/dbraw/zinc/01/37/04/388013704.db2.gz XGJAQCHGVGFXRJ-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(CC)CC ZINC000423227839 388013708 /nfs/dbraw/zinc/01/37/08/388013708.db2.gz XGJAQCHGVGFXRJ-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO COc1cccc([C@H](C)NCC[C@H](C)[NH3+])c1 ZINC000423228580 388013915 /nfs/dbraw/zinc/01/39/15/388013915.db2.gz DEWWUVDIFQHGOS-QWRGUYRKSA-N 1 3 222.332 2.083 20 0 BEADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000423230089 388015233 /nfs/dbraw/zinc/01/52/33/388015233.db2.gz INNRLAJESHGCAE-SMDDNHRTSA-N 1 3 236.359 2.473 20 0 BEADHO COc1ccc2c(c1)[C@@H](NCC[C@H](C)[NH3+])CCC2 ZINC000423229028 388015892 /nfs/dbraw/zinc/01/58/92/388015892.db2.gz GLGJXHPIMQPKRZ-NHYWBVRUSA-N 1 3 248.370 2.400 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@@H](C(C)C)C1 ZINC000423231925 388016960 /nfs/dbraw/zinc/01/69/60/388016960.db2.gz HMDARNNJVIZZHM-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CCOc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423235271 388018277 /nfs/dbraw/zinc/01/82/77/388018277.db2.gz QRDNFRKTDHSEPF-NWDGAFQWSA-N 1 3 236.359 2.473 20 0 BEADHO CCc1ccc([C@H](C)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000423243591 388025992 /nfs/dbraw/zinc/02/59/92/388025992.db2.gz GQUNFXLFCYNUED-RYUDHWBXSA-N 1 3 236.359 2.492 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccncc1 ZINC000453241495 388022291 /nfs/dbraw/zinc/02/22/91/388022291.db2.gz PJLHOCKFMXGCPR-TZMCWYRMSA-N 1 3 235.375 2.320 20 0 BEADHO CC[NH2+]CCN[C@H]1CCCC[C@H]1C(C)C ZINC000423253477 388034912 /nfs/dbraw/zinc/03/49/12/388034912.db2.gz ZDWVYSZYDMBKQR-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423264524 388042436 /nfs/dbraw/zinc/04/24/36/388042436.db2.gz CDXDHYJCRURPRR-KCPJHIHWSA-N 1 3 232.371 2.493 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000083056518 388044152 /nfs/dbraw/zinc/04/41/52/388044152.db2.gz GOIMDCYUHFDILZ-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO CCc1ccc([C@H](C)NCC[C@H]2CC[NH2+]C2)o1 ZINC000423243590 388026583 /nfs/dbraw/zinc/02/65/83/388026583.db2.gz GQUNFXLFCYNUED-NWDGAFQWSA-N 1 3 236.359 2.492 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2ccc(C)cc21 ZINC000423274630 388055794 /nfs/dbraw/zinc/05/57/94/388055794.db2.gz MEPKJRWQZXOMBW-DOMZBBRYSA-N 1 3 232.371 2.427 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)CNC)C(C)(C)C ZINC000423278207 388059915 /nfs/dbraw/zinc/05/99/15/388059915.db2.gz QUIOKXFBJHGOFH-WDEREUQCSA-N 1 3 200.370 2.256 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2c1cccc2C ZINC000423280979 388062566 /nfs/dbraw/zinc/06/25/66/388062566.db2.gz VEJIDOJAAJUFQS-ABAIWWIYSA-N 1 3 232.371 2.427 20 0 BEADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC(C)(C)N ZINC000423281784 388063388 /nfs/dbraw/zinc/06/33/88/388063388.db2.gz BQXRVEQFXBVBHS-CQSZACIVSA-N 1 3 248.370 2.400 20 0 BEADHO Cc1cc([C@H](C)NCC[C@@H]2CCC[NH2+]C2)no1 ZINC000423281928 388063434 /nfs/dbraw/zinc/06/34/34/388063434.db2.gz VYXRFMSLRYITPO-RYUDHWBXSA-N 1 3 237.347 2.023 20 0 BEADHO CC(C)([NH3+])CN[C@@H](Cc1ccccc1)C1CC1 ZINC000423281843 388063507 /nfs/dbraw/zinc/06/35/07/388063507.db2.gz CABNJVZLJDBYHF-AWEZNQCLSA-N 1 3 232.371 2.335 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423282368 388064827 /nfs/dbraw/zinc/06/48/27/388064827.db2.gz WLLHVLTXLWESNK-ZWNOBZJWSA-N 1 3 210.365 2.010 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000423282365 388065481 /nfs/dbraw/zinc/06/54/81/388065481.db2.gz WLLHVLTXLWESNK-GXFFZTMASA-N 1 3 210.365 2.010 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)N ZINC000423287212 388072145 /nfs/dbraw/zinc/07/21/45/388072145.db2.gz KWWZPXVZVLKNQS-AAEUAGOBSA-N 1 3 236.359 2.090 20 0 BEADHO CC[C@@H]([NH2+]CC(C)(C)N)c1cccc(OC)c1 ZINC000423288398 388072639 /nfs/dbraw/zinc/07/26/39/388072639.db2.gz RYZFXNPPEJTZMN-CYBMUJFWSA-N 1 3 236.359 2.473 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1 ZINC000084215456 388073081 /nfs/dbraw/zinc/07/30/81/388073081.db2.gz AQVMHPUPDGCRMP-KBPBESRZSA-N 1 3 218.344 2.294 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N)CC2 ZINC000423289776 388074686 /nfs/dbraw/zinc/07/46/86/388074686.db2.gz YETIBEKIVJLRGN-CYBMUJFWSA-N 1 3 234.343 2.009 20 0 BEADHO CCC(N)(CC)C[NH2+][C@H](C)Cc1ccoc1 ZINC000423291192 388075597 /nfs/dbraw/zinc/07/55/97/388075597.db2.gz HFSLCWLUMRJMHG-LLVKDONJSA-N 1 3 224.348 2.318 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000324224222 388114820 /nfs/dbraw/zinc/11/48/20/388114820.db2.gz FXFZDSNPFXYDOE-AGIUHOORSA-N 1 3 210.365 2.281 20 0 BEADHO CCc1nc(C)c([C@H](C)NC[C@@H](C)C[NH3+])s1 ZINC000423295549 388077635 /nfs/dbraw/zinc/07/76/35/388077635.db2.gz FCRMAJBFRHSWLK-IUCAKERBSA-N 1 3 241.404 2.259 20 0 BEADHO Cc1ccsc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423298120 388080230 /nfs/dbraw/zinc/08/02/30/388080230.db2.gz NEYUSWNWBPGUGI-WPRPVWTQSA-N 1 3 212.362 2.302 20 0 BEADHO Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403260 388101437 /nfs/dbraw/zinc/10/14/37/388101437.db2.gz JKIYZIXUMKZRHK-KBPBESRZSA-N 1 3 218.344 2.355 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1cccs1 ZINC000086494985 388103732 /nfs/dbraw/zinc/10/37/32/388103732.db2.gz XBJGKLGOFMTUGY-VXGBXAGGSA-N 1 3 238.400 2.411 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1c2ccccc2C[C@H]1C ZINC000423267431 388045263 /nfs/dbraw/zinc/04/52/63/388045263.db2.gz DZEGAAHELRUIEK-YWPYICTPSA-N 1 3 232.371 2.365 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000423269174 388047827 /nfs/dbraw/zinc/04/78/27/388047827.db2.gz GWEOJGNOYLZEJE-ZDEQEGDKSA-N 1 3 212.381 2.256 20 0 BEADHO CCC1(CC)[C@H](NC[C@H](C)C[NH2+]C)C[C@H]1OC ZINC000423268704 388048115 /nfs/dbraw/zinc/04/81/15/388048115.db2.gz GGLDMSWZTQKQCD-JHJVBQTASA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H]([NH2+]C[C@H](C)CNC)C[C@H]1OC ZINC000423268704 388048118 /nfs/dbraw/zinc/04/81/18/388048118.db2.gz GGLDMSWZTQKQCD-JHJVBQTASA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H](NC[C@@H](C)C[NH2+]C)C[C@H]1OC ZINC000423268707 388048296 /nfs/dbraw/zinc/04/82/96/388048296.db2.gz GGLDMSWZTQKQCD-YNEHKIRRSA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H]([NH2+]C[C@@H](C)CNC)C[C@H]1OC ZINC000423268707 388048299 /nfs/dbraw/zinc/04/82/99/388048299.db2.gz GGLDMSWZTQKQCD-YNEHKIRRSA-N 1 3 242.407 2.025 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453332243 388048829 /nfs/dbraw/zinc/04/88/29/388048829.db2.gz VTNFZKLMTDQAFK-YNLGZWBXSA-N 1 3 222.376 2.415 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453332243 388048832 /nfs/dbraw/zinc/04/88/32/388048832.db2.gz VTNFZKLMTDQAFK-YNLGZWBXSA-N 1 3 222.376 2.415 20 0 BEADHO CCC[NH+]1CCC(NC2CC(C)(F)C2)CC1 ZINC000449374851 388185768 /nfs/dbraw/zinc/18/57/68/388185768.db2.gz CKZDQKUPFFIOMG-UHFFFAOYSA-N 1 3 228.355 2.341 20 0 BEADHO Cc1cccc(CC[N@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000449035475 388134283 /nfs/dbraw/zinc/13/42/83/388134283.db2.gz OMJCPMYVFYTHHU-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1cccc(CC[N@@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000449035475 388134284 /nfs/dbraw/zinc/13/42/84/388134284.db2.gz OMJCPMYVFYTHHU-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1cccc(CCN2CC[C@H](C[NH+](C)C)C2)c1 ZINC000449035475 388134286 /nfs/dbraw/zinc/13/42/86/388134286.db2.gz OMJCPMYVFYTHHU-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000449442084 388207254 /nfs/dbraw/zinc/20/72/54/388207254.db2.gz WFDMGXKNUNUYAG-RTXFEEFZSA-N 1 3 208.349 2.001 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000449455703 388210309 /nfs/dbraw/zinc/21/03/09/388210309.db2.gz LOSYAEYVCHLIBI-AMRKSYTLSA-N 1 3 210.365 2.273 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449455703 388210310 /nfs/dbraw/zinc/21/03/10/388210310.db2.gz LOSYAEYVCHLIBI-AMRKSYTLSA-N 1 3 210.365 2.273 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164666337 388242451 /nfs/dbraw/zinc/24/24/51/388242451.db2.gz ISLWBCJGLUPLAK-DGCLKSJQSA-N 1 3 212.381 2.339 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164666337 388242453 /nfs/dbraw/zinc/24/24/53/388242453.db2.gz ISLWBCJGLUPLAK-DGCLKSJQSA-N 1 3 212.381 2.339 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@H]2Cc2ccccc2)C1 ZINC000516663570 256603389 /nfs/dbraw/zinc/60/33/89/256603389.db2.gz STKWFTVNBVNGCK-WCVJEAGWSA-N 1 3 244.382 2.477 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000519643941 256654979 /nfs/dbraw/zinc/65/49/79/256654979.db2.gz WHVUNHNLEUTACD-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000300785733 388394093 /nfs/dbraw/zinc/39/40/93/388394093.db2.gz BEBQREPYARJJFF-OUAUKWLOSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCC(F)(F)C1 ZINC000300997952 388397622 /nfs/dbraw/zinc/39/76/22/388397622.db2.gz VHKLEWWKLKSFKN-OUAUKWLOSA-N 1 3 232.318 2.233 20 0 BEADHO CC(C)(C[NH+]1CCCC1)NCCc1ccccn1 ZINC000308632912 388446481 /nfs/dbraw/zinc/44/64/81/388446481.db2.gz HIVGPEIKPBFPMP-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[C@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717616 388468200 /nfs/dbraw/zinc/46/82/00/388468200.db2.gz YCMUJNBEBMDCNA-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CCSCC1)CN(C)C ZINC000336725243 388470279 /nfs/dbraw/zinc/47/02/79/388470279.db2.gz BKNZYWTYRZXGBA-NEPJUHHUSA-N 1 3 244.448 2.305 20 0 BEADHO CCC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000356333471 388547796 /nfs/dbraw/zinc/54/77/96/388547796.db2.gz KYNXDFPWMLXFCU-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000356333471 388547798 /nfs/dbraw/zinc/54/77/98/388547798.db2.gz KYNXDFPWMLXFCU-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@@H]2CCC[C@H]21 ZINC000550934150 388617091 /nfs/dbraw/zinc/61/70/91/388617091.db2.gz WVMNOXKPDVJCNZ-ZUWCUPBKSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@@H]2CCC[C@H]21 ZINC000550934150 388617095 /nfs/dbraw/zinc/61/70/95/388617095.db2.gz WVMNOXKPDVJCNZ-ZUWCUPBKSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H]2CCC[C@H]21 ZINC000550934150 388617098 /nfs/dbraw/zinc/61/70/98/388617098.db2.gz WVMNOXKPDVJCNZ-ZUWCUPBKSA-N 1 3 240.366 2.339 20 0 BEADHO Cc1ccccc1OCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000517588786 256829754 /nfs/dbraw/zinc/82/97/54/256829754.db2.gz SVARTAXHWJCBSQ-KGLIPLIRSA-N 1 3 248.370 2.233 20 0 BEADHO COC[C@@H](C)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247673363 388668819 /nfs/dbraw/zinc/66/88/19/388668819.db2.gz YWCIIBJJNZHWAI-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO COC[C@@H](C)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000247673363 388668820 /nfs/dbraw/zinc/66/88/20/388668820.db2.gz YWCIIBJJNZHWAI-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CN(C)CCSCCC[NH+]1CCCCC1 ZINC000191833560 388670878 /nfs/dbraw/zinc/67/08/78/388670878.db2.gz NOJKMAPURSCNBD-UHFFFAOYSA-N 1 3 230.421 2.157 20 0 BEADHO Cc1ccc(CNCCC2CC[NH+](C)CC2)nc1 ZINC000125760964 388677088 /nfs/dbraw/zinc/67/70/88/388677088.db2.gz XBWDCUPYHJEGEY-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C1CC1[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530177350 388621555 /nfs/dbraw/zinc/62/15/55/388621555.db2.gz GKAQNJUFTXKSKE-MELADBBJSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530177350 388621558 /nfs/dbraw/zinc/62/15/58/388621558.db2.gz GKAQNJUFTXKSKE-MELADBBJSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530177351 388622174 /nfs/dbraw/zinc/62/21/74/388622174.db2.gz GKAQNJUFTXKSKE-RDBSUJKOSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530177351 388622175 /nfs/dbraw/zinc/62/21/75/388622175.db2.gz GKAQNJUFTXKSKE-RDBSUJKOSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530179674 388622400 /nfs/dbraw/zinc/62/24/00/388622400.db2.gz ZUJMZHFLQZCKPP-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179357 388623055 /nfs/dbraw/zinc/62/30/55/388623055.db2.gz XEDUQMXZMKZMSE-VXGBXAGGSA-N 1 3 210.365 2.295 20 0 BEADHO CC1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530179654 388623253 /nfs/dbraw/zinc/62/32/53/388623253.db2.gz ZRGRVGDJABHNRD-BPCQOVAHSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1ccncc1CCCN(C)CCC[NH+](C)C ZINC000564377438 388625027 /nfs/dbraw/zinc/62/50/27/388625027.db2.gz HULOHFZDQPAACC-UHFFFAOYSA-N 1 3 249.402 2.206 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530207037 388626903 /nfs/dbraw/zinc/62/69/03/388626903.db2.gz CMVXMVQCCVVXOK-QMIVOQANSA-N 1 3 236.403 2.400 20 0 BEADHO C[NH2+]C1CCN(CC2CC(C)(C)C2)CC1 ZINC000530210872 388627365 /nfs/dbraw/zinc/62/73/65/388627365.db2.gz MLOVMNZBKHAKBE-UHFFFAOYSA-N 1 3 210.365 2.106 20 0 BEADHO CNC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000530210872 388627366 /nfs/dbraw/zinc/62/73/66/388627366.db2.gz MLOVMNZBKHAKBE-UHFFFAOYSA-N 1 3 210.365 2.106 20 0 BEADHO COCCC1CC[NH+]([C@@H]2CCC[C@H](N)C2)CC1 ZINC000530212179 388627629 /nfs/dbraw/zinc/62/76/29/388627629.db2.gz PLINAWMOTKNOGJ-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO COCCC1CCN([C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000530212179 388627632 /nfs/dbraw/zinc/62/76/32/388627632.db2.gz PLINAWMOTKNOGJ-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000530214762 388628645 /nfs/dbraw/zinc/62/86/45/388628645.db2.gz CQOZGFHMUDVBNE-VXGBXAGGSA-N 1 3 220.360 2.193 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000530215582 388628695 /nfs/dbraw/zinc/62/86/95/388628695.db2.gz HOALDJSNEXCGDE-NSHDSACASA-N 1 3 245.370 2.466 20 0 BEADHO CC1(C)CC(CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000530216447 388630488 /nfs/dbraw/zinc/63/04/88/388630488.db2.gz BMZWMFMJADVUKC-AWEZNQCLSA-N 1 3 222.376 2.108 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530216355 388630594 /nfs/dbraw/zinc/63/05/94/388630594.db2.gz AXPAGDWQOXAFPT-SRVKXCTJSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000530245386 388638922 /nfs/dbraw/zinc/63/89/22/388638922.db2.gz XFIQVYVQUAUNKD-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(C2=CCN(C)CC2)cc1C[NH3+] ZINC000530248520 388639721 /nfs/dbraw/zinc/63/97/21/388639721.db2.gz OYVUTLPRPFHQEL-UHFFFAOYSA-N 1 3 216.328 2.173 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCSC)[C@@H](C)C1 ZINC000246789520 388651690 /nfs/dbraw/zinc/65/16/90/388651690.db2.gz MGALPTRIMWGCIE-RYUDHWBXSA-N 1 3 230.421 2.012 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCSC)[C@@H](C)C1 ZINC000246789520 388651691 /nfs/dbraw/zinc/65/16/91/388651691.db2.gz MGALPTRIMWGCIE-RYUDHWBXSA-N 1 3 230.421 2.012 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000247056058 388657969 /nfs/dbraw/zinc/65/79/69/388657969.db2.gz NMLVNUJEHIOCNI-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224396866 388664387 /nfs/dbraw/zinc/66/43/87/388664387.db2.gz IWYPRVVTNGZCAG-OLZOCXBDSA-N 1 3 242.432 2.059 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@H]21 ZINC000554095452 388799285 /nfs/dbraw/zinc/79/92/85/388799285.db2.gz FNDHLNSTAPQOMF-WTPMCQDGSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@H]21 ZINC000554095452 388799288 /nfs/dbraw/zinc/79/92/88/388799288.db2.gz FNDHLNSTAPQOMF-WTPMCQDGSA-N 1 3 244.329 2.102 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000539624867 388767974 /nfs/dbraw/zinc/76/79/74/388767974.db2.gz CDGOSYOGYDFAHE-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CC[C@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000539624867 388767978 /nfs/dbraw/zinc/76/79/78/388767978.db2.gz CDGOSYOGYDFAHE-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCOC2CCCCC2)C1 ZINC000093216148 388828826 /nfs/dbraw/zinc/82/88/26/388828826.db2.gz IXZOULNDXDFNFY-QWHCGFSZSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccoc1 ZINC000564828082 388891608 /nfs/dbraw/zinc/89/16/08/388891608.db2.gz YXRFASREDTVWGM-GWCFXTLKSA-N 1 3 222.332 2.448 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)C1CNC1 ZINC000564988684 388904958 /nfs/dbraw/zinc/90/49/58/388904958.db2.gz NSYDROGYTNPUTO-WTIISPKJSA-N 1 3 222.376 2.010 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000565592460 388955391 /nfs/dbraw/zinc/95/53/91/388955391.db2.gz DPELNINJJVQXCJ-UONOGXRCSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000565592460 388955394 /nfs/dbraw/zinc/95/53/94/388955394.db2.gz DPELNINJJVQXCJ-UONOGXRCSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000566088404 388986536 /nfs/dbraw/zinc/98/65/36/388986536.db2.gz LNHOBSJHJZSYOP-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CC[C@H]1C1CC1 ZINC000566088404 388986539 /nfs/dbraw/zinc/98/65/39/388986539.db2.gz LNHOBSJHJZSYOP-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271786752 389024839 /nfs/dbraw/zinc/02/48/39/389024839.db2.gz FSOMCNCMBFAQMF-UHFFFAOYSA-N 1 3 230.355 2.347 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+]CC1=CCN(C)CC1 ZINC000271836597 389025638 /nfs/dbraw/zinc/02/56/38/389025638.db2.gz GDKZBDAWOYJLRY-ZDUSSCGKSA-N 1 3 248.370 2.452 20 0 BEADHO CN(C)c1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000517177194 322817417 /nfs/dbraw/zinc/81/74/17/322817417.db2.gz XEMNFEMXOPJOBN-KGLIPLIRSA-N 1 3 247.386 2.112 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@H]1CCCN1 ZINC000400482272 533434452 /nfs/dbraw/zinc/43/44/52/533434452.db2.gz CIDSBBVCWATRED-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000400378484 533532418 /nfs/dbraw/zinc/53/24/18/533532418.db2.gz JMFGYNGFYSLMHM-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000400378484 533532425 /nfs/dbraw/zinc/53/24/25/533532425.db2.gz JMFGYNGFYSLMHM-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000400378481 533533255 /nfs/dbraw/zinc/53/32/55/533533255.db2.gz JMFGYNGFYSLMHM-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000400378481 533533258 /nfs/dbraw/zinc/53/32/58/533533258.db2.gz JMFGYNGFYSLMHM-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1cc(N2CCN(C3CCCC3)CC2)cc[nH+]1 ZINC000302226574 132261931 /nfs/dbraw/zinc/26/19/31/132261931.db2.gz STGQWLMAIJLCDE-UHFFFAOYSA-N 1 3 245.370 2.455 20 0 BEADHO CC(C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960315 132343042 /nfs/dbraw/zinc/34/30/42/132343042.db2.gz NSUQGRVQPONTDU-UHFFFAOYSA-N 1 3 219.332 2.048 20 0 BEADHO CC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960321 132343135 /nfs/dbraw/zinc/34/31/35/132343135.db2.gz YEUSSVLHSCFFIM-LBPRGKRZSA-N 1 3 233.359 2.439 20 0 BEADHO C[C@H]1CCSCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000335938088 134013086 /nfs/dbraw/zinc/01/30/86/134013086.db2.gz OAFKSKFMSOHTBF-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO Cc1ccsc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167607994 134153086 /nfs/dbraw/zinc/15/30/86/134153086.db2.gz DSFLDCQYYBKWSA-CMPLNLGQSA-N 1 3 238.400 2.473 20 0 BEADHO CS[C@H](C)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000169087492 134249722 /nfs/dbraw/zinc/24/97/22/134249722.db2.gz HHIFPTUBNVWPMY-JIMOISOXSA-N 1 3 236.384 2.472 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc(Cl)cc1 ZINC000220486734 134305347 /nfs/dbraw/zinc/30/53/47/134305347.db2.gz JJKZHABYPJDTET-SECBINFHSA-N 1 3 212.724 2.167 20 0 BEADHO Cc1ccc(CN[C@H](C)CC[NH3+])cc1C ZINC000220539992 134309879 /nfs/dbraw/zinc/30/98/79/134309879.db2.gz MOLSDJOAPFVJJI-GFCCVEGCSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@H](C[NH2+]C1CC(C)C1)CN1CCCCC1 ZINC000231787584 134545185 /nfs/dbraw/zinc/54/51/85/134545185.db2.gz NWNVOWWEYIJPRR-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCOCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250589282 135056295 /nfs/dbraw/zinc/05/62/95/135056295.db2.gz JTGRIYCOJRXFSV-UONOGXRCSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)[C@H]1C ZINC000252111300 135083495 /nfs/dbraw/zinc/08/34/95/135083495.db2.gz HUHIKYFQIDCGHS-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)[C@H]1C ZINC000252111300 135083497 /nfs/dbraw/zinc/08/34/97/135083497.db2.gz HUHIKYFQIDCGHS-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000252793614 135110798 /nfs/dbraw/zinc/11/07/98/135110798.db2.gz XMAXGFPILDAGTE-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@]1(CN2CCCCC(C)(C)C2)CC[NH2+]C1 ZINC000261882912 135112208 /nfs/dbraw/zinc/11/22/08/135112208.db2.gz RIZMLUBEGZARNM-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252891540 135116342 /nfs/dbraw/zinc/11/63/42/135116342.db2.gz KZMIYWIKDADWTO-UKRRQHHQSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252891540 135116343 /nfs/dbraw/zinc/11/63/43/135116343.db2.gz KZMIYWIKDADWTO-UKRRQHHQSA-N 1 3 232.371 2.425 20 0 BEADHO CNCCC[N@H+](CC(C)C)C1CCCC1 ZINC000087286621 135119584 /nfs/dbraw/zinc/11/95/84/135119584.db2.gz PTMOPZFTBKCURK-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@@H+](CC(C)C)C1CCCC1 ZINC000087286621 135119585 /nfs/dbraw/zinc/11/95/85/135119585.db2.gz PTMOPZFTBKCURK-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000087287408 135121712 /nfs/dbraw/zinc/12/17/12/135121712.db2.gz YFXUREWUMCTRCX-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000087287408 135121713 /nfs/dbraw/zinc/12/17/13/135121713.db2.gz YFXUREWUMCTRCX-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccsc1C[NH2+]C[C@H](N)C(C)C ZINC000087309997 135121868 /nfs/dbraw/zinc/12/18/68/135121868.db2.gz IBGOLLVELNBUHG-JTQLQIEISA-N 1 3 212.362 2.129 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944834 135136119 /nfs/dbraw/zinc/13/61/19/135136119.db2.gz KEHNPCXDVOZHNT-RYUDHWBXSA-N 1 3 224.735 2.309 20 0 BEADHO Fc1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257699612 135140083 /nfs/dbraw/zinc/14/00/83/135140083.db2.gz PSJHCMDKUFXERL-UHFFFAOYSA-N 1 3 248.345 2.401 20 0 BEADHO C[C@@H](c1ccccn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257710317 135141151 /nfs/dbraw/zinc/14/11/51/135141151.db2.gz NPNRVLHWEANPFH-ZDUSSCGKSA-N 1 3 245.370 2.218 20 0 BEADHO C[NH2+]CCCN(C)CCC1CCCCC1 ZINC000087473703 135143722 /nfs/dbraw/zinc/14/37/22/135143722.db2.gz KZGOVXJQKONBER-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CNCCC[N@H+](C)CCC1CCCCC1 ZINC000087473703 135143724 /nfs/dbraw/zinc/14/37/24/135143724.db2.gz KZGOVXJQKONBER-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CNCCC[N@@H+](C)CCC1CCCCC1 ZINC000087473703 135143725 /nfs/dbraw/zinc/14/37/25/135143725.db2.gz KZGOVXJQKONBER-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)s1 ZINC000261529406 135156057 /nfs/dbraw/zinc/15/60/57/135156057.db2.gz RVDUOBQYFBGZBJ-AEJSXWLSSA-N 1 3 212.362 2.443 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000261530650 135158123 /nfs/dbraw/zinc/15/81/23/135158123.db2.gz CYYRJSOLBOGOQU-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCNC[C@H]1C ZINC000261531015 135158786 /nfs/dbraw/zinc/15/87/86/135158786.db2.gz DWXJUYNIXBLYCU-GHMZBOCLSA-N 1 3 224.373 2.144 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000261531026 135159159 /nfs/dbraw/zinc/15/91/59/135159159.db2.gz DXNOHFVBMYCCIG-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261531018 135159200 /nfs/dbraw/zinc/15/92/00/135159200.db2.gz DWXJUYNIXBLYCU-WDEREUQCSA-N 1 3 224.373 2.144 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCCCCC1 ZINC000261531028 135159477 /nfs/dbraw/zinc/15/94/77/135159477.db2.gz DXNOHFVBMYCCIG-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCCC1 ZINC000261531171 135160075 /nfs/dbraw/zinc/16/00/75/135160075.db2.gz FLOPIFHKIVAEEP-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@@H]2C)s1 ZINC000261531943 135161704 /nfs/dbraw/zinc/16/17/04/135161704.db2.gz ILRXSYUARHTXEA-CABZTGNLSA-N 1 3 224.373 2.144 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@H]2C)s1 ZINC000261531945 135161918 /nfs/dbraw/zinc/16/19/18/135161918.db2.gz ILRXSYUARHTXEA-SKDRFNHKSA-N 1 3 224.373 2.144 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261533199 135163955 /nfs/dbraw/zinc/16/39/55/135163955.db2.gz KLGWZNIDTULJDQ-WOPDTQHZSA-N 1 3 210.365 2.282 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000261534120 135166164 /nfs/dbraw/zinc/16/61/64/135166164.db2.gz NIVIQGCIOSYNSZ-WUHRBBMRSA-N 1 3 242.432 2.378 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](N)C2)c(C)c1 ZINC000261534313 135166507 /nfs/dbraw/zinc/16/65/07/135166507.db2.gz PVDVYHSYHAJGHT-TZMCWYRMSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](N)C2)c(C)c1 ZINC000261534313 135166509 /nfs/dbraw/zinc/16/65/09/135166509.db2.gz PVDVYHSYHAJGHT-TZMCWYRMSA-N 1 3 218.344 2.082 20 0 BEADHO CC[N@H+](C[C@@H]1CCCNC1)[C@H](C)C(C)C ZINC000261537022 135173014 /nfs/dbraw/zinc/17/30/14/135173014.db2.gz UPBZWXISNFUCNT-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CC[N@@H+](C[C@@H]1CCCNC1)[C@H](C)C(C)C ZINC000261537022 135173015 /nfs/dbraw/zinc/17/30/15/135173015.db2.gz UPBZWXISNFUCNT-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)[C@H](C)N ZINC000261537018 135173503 /nfs/dbraw/zinc/17/35/03/135173503.db2.gz UPBDOCGOENLOID-AEJSXWLSSA-N 1 3 210.296 2.212 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2)C[C@H]1C ZINC000261537704 135175051 /nfs/dbraw/zinc/17/50/51/135175051.db2.gz WFELSUDSWVFUSN-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN ZINC000261538369 135175212 /nfs/dbraw/zinc/17/52/12/135175212.db2.gz XWFMTTYWDJUQSL-LPWJVIDDSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN ZINC000261538370 135175260 /nfs/dbraw/zinc/17/52/60/135175260.db2.gz XWFMTTYWDJUQSL-XQHKEYJVSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000261538780 135177032 /nfs/dbraw/zinc/17/70/32/135177032.db2.gz ZHEQYJQCLGTVCK-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2)[C@@H](C)C1 ZINC000261538780 135177034 /nfs/dbraw/zinc/17/70/34/135177034.db2.gz ZHEQYJQCLGTVCK-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000261540470 135179553 /nfs/dbraw/zinc/17/95/53/135179553.db2.gz AGBXKHCZLDHUEK-UMVBOHGHSA-N 1 3 232.371 2.378 20 0 BEADHO Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)c(C)c1 ZINC000261540949 135180506 /nfs/dbraw/zinc/18/05/06/135180506.db2.gz ARQZMUWYKRFGPB-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)c(C)c1 ZINC000261540949 135180507 /nfs/dbraw/zinc/18/05/07/135180507.db2.gz ARQZMUWYKRFGPB-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@](C)(CN)C2)c(C)c1 ZINC000261540949 135180509 /nfs/dbraw/zinc/18/05/09/135180509.db2.gz ARQZMUWYKRFGPB-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261542206 135182776 /nfs/dbraw/zinc/18/27/76/135182776.db2.gz NSYQRFYQGDCNLK-MJBXVCDLSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H](N(C)C[C@@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543740 135184646 /nfs/dbraw/zinc/18/46/46/135184646.db2.gz ICLORWCZVGKEHU-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261548323 135186685 /nfs/dbraw/zinc/18/66/85/135186685.db2.gz NKKWLYVOQIBZHK-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261548323 135186687 /nfs/dbraw/zinc/18/66/87/135186687.db2.gz NKKWLYVOQIBZHK-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261548325 135187106 /nfs/dbraw/zinc/18/71/06/135187106.db2.gz NKKWLYVOQIBZHK-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261548325 135187107 /nfs/dbraw/zinc/18/71/07/135187107.db2.gz NKKWLYVOQIBZHK-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ncsc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000084149520 135188487 /nfs/dbraw/zinc/18/84/87/135188487.db2.gz BGQAIOORAWURKC-SECBINFHSA-N 1 3 239.388 2.011 20 0 BEADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccc(OC)cc1 ZINC000261551314 135190382 /nfs/dbraw/zinc/19/03/82/135190382.db2.gz MCKFBVPSICEVEY-ZDUSSCGKSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084217761 135192812 /nfs/dbraw/zinc/19/28/12/135192812.db2.gz AMVCXRFNOSPKSL-FVCCEPFGSA-N 1 3 210.365 2.282 20 0 BEADHO C1CC2CCC1C[C@H]2[NH2+][C@H]1CCCNCC1 ZINC000261558904 135199460 /nfs/dbraw/zinc/19/94/60/135199460.db2.gz YQCDSFYXNNVSEG-CLRIEMFWSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561708 135202689 /nfs/dbraw/zinc/20/26/89/135202689.db2.gz VRTWUIFDHCVLAI-HIFRSBDPSA-N 1 3 230.355 2.036 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000261562833 135204467 /nfs/dbraw/zinc/20/44/67/135204467.db2.gz BQJMWPCPNFEZPE-AAVRWANBSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccc(F)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261564737 135206722 /nfs/dbraw/zinc/20/67/22/135206722.db2.gz HLFFRXGXANSTNY-TUKIKUTGSA-N 1 3 248.345 2.303 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000261567795 135209374 /nfs/dbraw/zinc/20/93/74/135209374.db2.gz FDECRWUYGUMLAU-OCCSQVGLSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1ccccc1C[C@H](C)N[C@@H](C)[C@H](C)[NH3+] ZINC000261568613 135210021 /nfs/dbraw/zinc/21/00/21/135210021.db2.gz FQOYLXKHECKHQT-AVGNSLFASA-N 1 3 220.360 2.251 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000261571455 135213100 /nfs/dbraw/zinc/21/31/00/135213100.db2.gz LBJOXEMJARCBEZ-XUJVJEKNSA-N 1 3 248.370 2.344 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N)[C@H]2C)c1 ZINC000261570708 135213175 /nfs/dbraw/zinc/21/31/75/135213175.db2.gz HCOYWZSBPURHKL-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N)[C@H]2C)c1 ZINC000261570708 135213177 /nfs/dbraw/zinc/21/31/77/135213177.db2.gz HCOYWZSBPURHKL-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(CN[C@](C)(C[NH3+])C(C)C)cc1 ZINC000261575431 135216474 /nfs/dbraw/zinc/21/64/74/135216474.db2.gz JRYNUCDONJQCOP-CQSZACIVSA-N 1 3 220.360 2.458 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C[C@@H](C)C1 ZINC000261576033 135217704 /nfs/dbraw/zinc/21/77/04/135217704.db2.gz KBEUSITWVORGFM-XHJNMGKDSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000261579859 135220472 /nfs/dbraw/zinc/22/04/72/135220472.db2.gz MMOFBQOOYKBZPI-MQLXINIDSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](CN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000261581568 135222110 /nfs/dbraw/zinc/22/21/10/135222110.db2.gz QSNZEXOQHWFZSE-FVQBIDKESA-N 1 3 244.382 2.474 20 0 BEADHO C[C@H](CN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000261581570 135222140 /nfs/dbraw/zinc/22/21/40/135222140.db2.gz QSNZEXOQHWFZSE-VNQPRFMTSA-N 1 3 244.382 2.474 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000261584116 135225410 /nfs/dbraw/zinc/22/54/10/135225410.db2.gz SCKFFWXHOUAKSU-KCXAZCMYSA-N 1 3 244.382 2.132 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261585620 135227173 /nfs/dbraw/zinc/22/71/73/135227173.db2.gz TYCRLJLTKXELAM-GOEBONIOSA-N 1 3 244.382 2.345 20 0 BEADHO C[C@H]1CC[N@H+](CCC2CCCC2)C[C@H]1CN ZINC000261599724 135237893 /nfs/dbraw/zinc/23/78/93/135237893.db2.gz ZZCHRKGNHGFAAW-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1CN ZINC000261599724 135237894 /nfs/dbraw/zinc/23/78/94/135237894.db2.gz ZZCHRKGNHGFAAW-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO CCCN(Cc1cccc(N)c1)C1CC[NH2+]CC1 ZINC000261700821 135246484 /nfs/dbraw/zinc/24/64/84/135246484.db2.gz ODESWBWQFTXMJZ-UHFFFAOYSA-N 1 3 247.386 2.233 20 0 BEADHO C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714635 135247607 /nfs/dbraw/zinc/24/76/07/135247607.db2.gz FBDCNGKZOCFCTC-OCCSQVGLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[C@]2(CCN(C[C@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742112 135249085 /nfs/dbraw/zinc/24/90/85/135249085.db2.gz IPYBQJWJXJRRKF-KFWWJZLASA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000261749099 135249817 /nfs/dbraw/zinc/24/98/17/135249817.db2.gz LRJOZIXNYFPQDR-CHWSQXEVSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H]1CCCNC1 ZINC000261749099 135249818 /nfs/dbraw/zinc/24/98/18/135249818.db2.gz LRJOZIXNYFPQDR-CHWSQXEVSA-N 1 3 222.376 2.251 20 0 BEADHO CCC[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261758075 135250722 /nfs/dbraw/zinc/25/07/22/135250722.db2.gz KXDZCGZFQXKGMY-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC(C)(C)C1 ZINC000261985111 135269484 /nfs/dbraw/zinc/26/94/84/135269484.db2.gz RVGZBQXHIWFXSL-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC(C)(C)C1 ZINC000261985111 135269485 /nfs/dbraw/zinc/26/94/85/135269485.db2.gz RVGZBQXHIWFXSL-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017357 135272753 /nfs/dbraw/zinc/27/27/53/135272753.db2.gz VUNZJOKHBPPRGI-HNKHHVNMSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@H]1C[C@H]1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017357 135272754 /nfs/dbraw/zinc/27/27/54/135272754.db2.gz VUNZJOKHBPPRGI-HNKHHVNMSA-N 1 3 244.382 2.317 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000081517051 135387281 /nfs/dbraw/zinc/38/72/81/135387281.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000081517051 135387283 /nfs/dbraw/zinc/38/72/83/135387283.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CCC2)C1 ZINC000081517051 135387285 /nfs/dbraw/zinc/38/72/85/135387285.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CCC2)C1 ZINC000081517051 135387286 /nfs/dbraw/zinc/38/72/86/135387286.db2.gz URSXZUDFLCDMCE-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO COCc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089150222 135531625 /nfs/dbraw/zinc/53/16/25/135531625.db2.gz BWKLLHWGOGOJMA-LSDHHAIUSA-N 1 3 248.370 2.050 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1CNC1 ZINC000335551592 136098123 /nfs/dbraw/zinc/09/81/23/136098123.db2.gz KBXDTSBTDHWMRL-PWSUYJOCSA-N 1 3 210.365 2.010 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NC1CC(c2ccccc2)C1 ZINC000335562407 136106456 /nfs/dbraw/zinc/10/64/56/136106456.db2.gz VZMNMPHSWGCCRV-WUCCLRPBSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCNCC1 ZINC000335568794 136108646 /nfs/dbraw/zinc/10/86/46/136108646.db2.gz SOWGQAWPNHMSOS-BMIGLBTASA-N 1 3 248.345 2.401 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CN1CCC(C)(C)C1CC1 ZINC000405983530 397778696 /nfs/dbraw/zinc/77/86/96/397778696.db2.gz BJERUDWDKUNUDD-PWSUYJOCSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H](CC1CC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121272 397801213 /nfs/dbraw/zinc/80/12/13/397801213.db2.gz SBWSGUJIOLOLOM-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000388106839 397871324 /nfs/dbraw/zinc/87/13/24/397871324.db2.gz XVXHKKGSJKJTOS-ZOBORPQBSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000388106839 397871326 /nfs/dbraw/zinc/87/13/26/397871326.db2.gz XVXHKKGSJKJTOS-ZOBORPQBSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000388106839 397871330 /nfs/dbraw/zinc/87/13/30/397871330.db2.gz XVXHKKGSJKJTOS-ZOBORPQBSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]([NH2+]CCCN)[C@@H]1CC2CCC1CC2 ZINC000382158589 397915725 /nfs/dbraw/zinc/91/57/25/397915725.db2.gz OYOIMBROBAXMCC-XVSSEFHLSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCCC2(CC2)C1 ZINC000414763802 398029031 /nfs/dbraw/zinc/02/90/31/398029031.db2.gz XZWUBYAQFIZAJM-LBPRGKRZSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCCC2(CC2)C1 ZINC000414763802 398029033 /nfs/dbraw/zinc/02/90/33/398029033.db2.gz XZWUBYAQFIZAJM-LBPRGKRZSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCCC2(CC2)C1 ZINC000414763800 398029085 /nfs/dbraw/zinc/02/90/85/398029085.db2.gz XZWUBYAQFIZAJM-GFCCVEGCSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCCC2(CC2)C1 ZINC000414763800 398029088 /nfs/dbraw/zinc/02/90/88/398029088.db2.gz XZWUBYAQFIZAJM-GFCCVEGCSA-N 1 3 210.365 2.236 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccccc1F ZINC000414851556 398059700 /nfs/dbraw/zinc/05/97/00/398059700.db2.gz PISVINQRJWRIIA-RYUDHWBXSA-N 1 3 238.350 2.202 20 0 BEADHO C[C@H](Cc1cccs1)N[C@H](C)[C@H](C)[NH3+] ZINC000389297140 398068661 /nfs/dbraw/zinc/06/86/61/398068661.db2.gz GZLDWBYAPUDLEI-KXUCPTDWSA-N 1 3 212.362 2.004 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CNC)C1 ZINC000414850675 398057482 /nfs/dbraw/zinc/05/74/82/398057482.db2.gz ZRHRAXXISDCTKD-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](NC1CCC([NH3+])CC1)c1ccco1 ZINC000051693186 398057845 /nfs/dbraw/zinc/05/78/45/398057845.db2.gz ATRGEZAPTSAXQR-WHXUTIOJSA-N 1 3 208.305 2.200 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000390837718 398107654 /nfs/dbraw/zinc/10/76/54/398107654.db2.gz AOHDNFSZMCTOAU-AXFHLTTASA-N 1 3 232.318 2.139 20 0 BEADHO CC[NH2+]CCCN[C@H]1CCc2ccccc2C1 ZINC000521607537 398097663 /nfs/dbraw/zinc/09/76/63/398097663.db2.gz WYUWZTHRPYANSP-HNNXBMFYSA-N 1 3 232.371 2.133 20 0 BEADHO CCNCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000521607537 398097664 /nfs/dbraw/zinc/09/76/64/398097664.db2.gz WYUWZTHRPYANSP-HNNXBMFYSA-N 1 3 232.371 2.133 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCCNCC1 ZINC000128907585 398097705 /nfs/dbraw/zinc/09/77/05/398097705.db2.gz CDVUKLZHBLNSSX-QWHCGFSZSA-N 1 3 236.359 2.332 20 0 BEADHO C[C@@H](CCc1ccco1)N[C@@H]1CCC[NH2+]CC1 ZINC000128907585 398097709 /nfs/dbraw/zinc/09/77/09/398097709.db2.gz CDVUKLZHBLNSSX-QWHCGFSZSA-N 1 3 236.359 2.332 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372992404 171279842 /nfs/dbraw/zinc/27/98/42/171279842.db2.gz WYOSFVZSHGKXMG-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372992404 171279843 /nfs/dbraw/zinc/27/98/43/171279843.db2.gz WYOSFVZSHGKXMG-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000414979665 398134408 /nfs/dbraw/zinc/13/44/08/398134408.db2.gz OCQPTZRNAMIBTM-CQSZACIVSA-N 1 3 220.360 2.439 20 0 BEADHO CC(C)C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000052380101 167003461 /nfs/dbraw/zinc/00/34/61/167003461.db2.gz JSSLNGAUHRZVNL-OKILXGFUSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000073652874 167003697 /nfs/dbraw/zinc/00/36/97/167003697.db2.gz MNXGHFXMYXXJHS-UHFFFAOYSA-N 1 3 212.381 2.352 20 0 BEADHO c1ccc2c(c1)CCC[N@@H+](C1CCNCC1)C2 ZINC000062944691 1172789233 /nfs/dbraw/zinc/78/92/33/1172789233.db2.gz OOORQYBMJWCZPI-UHFFFAOYSA-N 1 3 230.355 2.187 20 0 BEADHO c1ccc2c(c1)CCC[N@H+](C1CCNCC1)C2 ZINC000062944691 1172789240 /nfs/dbraw/zinc/78/92/40/1172789240.db2.gz OOORQYBMJWCZPI-UHFFFAOYSA-N 1 3 230.355 2.187 20 0 BEADHO c1ccc2c(c1)CCCN(C1CC[NH2+]CC1)C2 ZINC000062944691 1172789246 /nfs/dbraw/zinc/78/92/46/1172789246.db2.gz OOORQYBMJWCZPI-UHFFFAOYSA-N 1 3 230.355 2.187 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000309651969 173347106 /nfs/dbraw/zinc/34/71/06/173347106.db2.gz UBKZHZPLVKEOQK-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1cc(C)c(CNC[C@@H](C)C[NH3+])c(C)c1 ZINC000258810339 322876319 /nfs/dbraw/zinc/87/63/19/322876319.db2.gz SKJAWUVYMIFNOH-NSHDSACASA-N 1 3 220.360 2.296 20 0 BEADHO Cc1cc(C)c(CNC[C@H](C)C[NH3+])cc1C ZINC000258779509 322877586 /nfs/dbraw/zinc/87/75/86/322877586.db2.gz OYSADRLRCRHEKN-SNVBAGLBSA-N 1 3 220.360 2.296 20 0 BEADHO CCc1ccc(C[NH2+]C[C@H](N)C(C)C)s1 ZINC000225369066 487561501 /nfs/dbraw/zinc/56/15/01/487561501.db2.gz VSPIXIWULKGQRL-LBPRGKRZSA-N 1 3 226.389 2.383 20 0 BEADHO CC(C)OCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127788497 167225258 /nfs/dbraw/zinc/22/52/58/167225258.db2.gz FOPUAUSBUNVECE-UONOGXRCSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127788497 167225260 /nfs/dbraw/zinc/22/52/60/167225260.db2.gz FOPUAUSBUNVECE-UONOGXRCSA-N 1 3 240.391 2.018 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CC1CC=CC1 ZINC000238598892 487587821 /nfs/dbraw/zinc/58/78/21/487587821.db2.gz IIVPGPJECHLTMJ-ZDUSSCGKSA-N 1 3 208.349 2.156 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000238598892 487587825 /nfs/dbraw/zinc/58/78/25/487587825.db2.gz IIVPGPJECHLTMJ-ZDUSSCGKSA-N 1 3 208.349 2.156 20 0 BEADHO C[C@H]1C[C@@H](NCCC[NH+]2CCCCC2)CS1 ZINC000086934485 487590997 /nfs/dbraw/zinc/59/09/97/487590997.db2.gz XAKSNOVJLZIJKD-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264457 409560111 /nfs/dbraw/zinc/56/01/11/409560111.db2.gz DHAXZANEWPIOHJ-DGCLKSJQSA-N 1 3 246.345 2.353 20 0 BEADHO CC1(C)CCCC[C@H]1C[N@@H+]1CC[C@H](CN)C1 ZINC000662247740 409549296 /nfs/dbraw/zinc/54/92/96/409549296.db2.gz ZOBYZJRQMOZNMJ-OLZOCXBDSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCCC[C@H]1C[N@H+]1CC[C@H](CN)C1 ZINC000662247740 409549303 /nfs/dbraw/zinc/54/93/03/409549303.db2.gz ZOBYZJRQMOZNMJ-OLZOCXBDSA-N 1 3 224.392 2.483 20 0 BEADHO CO[C@@H](CN1CCC(C)([NH3+])CC1)C1CCCC1 ZINC000662269833 409573986 /nfs/dbraw/zinc/57/39/86/409573986.db2.gz FSQJPLSYDHGXHM-ZDUSSCGKSA-N 1 3 240.391 2.005 20 0 BEADHO CC12CC(C1)CN2CCC[NH+]1CCCCC1 ZINC000662385137 409686580 /nfs/dbraw/zinc/68/65/80/409686580.db2.gz LFUOBWAESKCOES-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000259119725 409732714 /nfs/dbraw/zinc/73/27/14/409732714.db2.gz TVLDIYPECVUTCX-GJZGRUSLSA-N 1 3 232.371 2.315 20 0 BEADHO CC1([NH2+]Cc2cccc3c2CCC3)CCNCC1 ZINC000650703602 410332919 /nfs/dbraw/zinc/33/29/19/410332919.db2.gz IIYUCCHISZKHHF-UHFFFAOYSA-N 1 3 244.382 2.407 20 0 BEADHO C[C@H]1[C@@H](N)CC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703629 410333560 /nfs/dbraw/zinc/33/35/60/410333560.db2.gz JNBRGMNLKISDCI-NHYWBVRUSA-N 1 3 230.355 2.097 20 0 BEADHO C[C@H]1[C@@H](N)CC[N@H+]1Cc1cccc2c1CCC2 ZINC000650703629 410333566 /nfs/dbraw/zinc/33/35/66/410333566.db2.gz JNBRGMNLKISDCI-NHYWBVRUSA-N 1 3 230.355 2.097 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cccc2c1CCC2 ZINC000650703799 410335028 /nfs/dbraw/zinc/33/50/28/410335028.db2.gz RWLWGIQSZNTADQ-CYBMUJFWSA-N 1 3 218.344 2.002 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2c1CCC2 ZINC000650704295 410335394 /nfs/dbraw/zinc/33/53/94/410335394.db2.gz RSQRWMLHKAZJRZ-RYUDHWBXSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000650711703 410339315 /nfs/dbraw/zinc/33/93/15/410339315.db2.gz AKWPUORCABKCGS-LOWDOPEQSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000650711703 410339320 /nfs/dbraw/zinc/33/93/20/410339320.db2.gz AKWPUORCABKCGS-LOWDOPEQSA-N 1 3 210.365 2.092 20 0 BEADHO [NH3+]CC1(CCNCc2cccc(F)c2F)CC1 ZINC000650712679 410345093 /nfs/dbraw/zinc/34/50/93/410345093.db2.gz PAYHQHZAJOAHBL-UHFFFAOYSA-N 1 3 240.297 2.183 20 0 BEADHO CN(C[C@H]1CCC[N@@H+]1C)c1nccc2[nH]ccc21 ZINC000664029571 410437173 /nfs/dbraw/zinc/43/71/73/410437173.db2.gz RAXVZCQUTBHRDF-LLVKDONJSA-N 1 3 244.342 2.093 20 0 BEADHO CN(C[C@H]1CCC[N@H+]1C)c1nccc2[nH]ccc21 ZINC000664029571 410437181 /nfs/dbraw/zinc/43/71/81/410437181.db2.gz RAXVZCQUTBHRDF-LLVKDONJSA-N 1 3 244.342 2.093 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000665264004 410736778 /nfs/dbraw/zinc/73/67/78/410736778.db2.gz ZZVJCLQLDTUAFN-PDWCTOEPSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266716 410738847 /nfs/dbraw/zinc/73/88/47/410738847.db2.gz IDRLSBGNIMXKOW-WOPDTQHZSA-N 1 3 246.345 2.400 20 0 BEADHO COc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000665294853 410787955 /nfs/dbraw/zinc/78/79/55/410787955.db2.gz XPGCKEHSDMXZON-OCCSQVGLSA-N 1 3 248.370 2.221 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000665297598 410819060 /nfs/dbraw/zinc/81/90/60/410819060.db2.gz IVZIECRZLJHAKU-ZJUUUORDSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H]1CC1(C)C ZINC000397752830 410933750 /nfs/dbraw/zinc/93/37/50/410933750.db2.gz CGYKLESZRGZHJH-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CC1(C)C ZINC000397804451 410934601 /nfs/dbraw/zinc/93/46/01/410934601.db2.gz NBSVFRYNAWJRSG-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CC1(C)C ZINC000397804447 410934787 /nfs/dbraw/zinc/93/47/87/410934787.db2.gz NBSVFRYNAWJRSG-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO CCSCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397298427 411143414 /nfs/dbraw/zinc/14/34/14/411143414.db2.gz CLOHBHRCMMEOEC-TUAOUCFPSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397298427 411143415 /nfs/dbraw/zinc/14/34/15/411143415.db2.gz CLOHBHRCMMEOEC-TUAOUCFPSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397298427 411143416 /nfs/dbraw/zinc/14/34/16/411143416.db2.gz CLOHBHRCMMEOEC-TUAOUCFPSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CSC[C@@H]1C ZINC000651865231 411147810 /nfs/dbraw/zinc/14/78/10/411147810.db2.gz RDKCXAAOHKVTSR-QWHCGFSZSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CSC[C@@H]1C ZINC000651865231 411147811 /nfs/dbraw/zinc/14/78/11/411147811.db2.gz RDKCXAAOHKVTSR-QWHCGFSZSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000651865231 411147812 /nfs/dbraw/zinc/14/78/12/411147812.db2.gz RDKCXAAOHKVTSR-QWHCGFSZSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000651865842 411147872 /nfs/dbraw/zinc/14/78/72/411147872.db2.gz JIGJQFKVQSUWIK-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CCO[C@H](C)C1 ZINC000651865842 411147873 /nfs/dbraw/zinc/14/78/73/411147873.db2.gz JIGJQFKVQSUWIK-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCO[C@H](C)C1 ZINC000651865842 411147874 /nfs/dbraw/zinc/14/78/74/411147874.db2.gz JIGJQFKVQSUWIK-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000652192596 411168379 /nfs/dbraw/zinc/16/83/79/411168379.db2.gz GDEMGRBUIHOPFH-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657938878 411174402 /nfs/dbraw/zinc/17/44/02/411174402.db2.gz RJNHHNJDDOQVJF-CYBMUJFWSA-N 1 3 240.416 2.124 20 0 BEADHO C[C@@H]1CCCN(Cc2cccc(O)c2)[C@H]1CC[NH3+] ZINC000404294058 411183114 /nfs/dbraw/zinc/18/31/14/411183114.db2.gz MROAIQNFCHFBPZ-DOMZBBRYSA-N 1 3 248.370 2.342 20 0 BEADHO COC[C@H](CC(C)(C)C)NC[C@@H]([NH3+])CC(C)C ZINC000656193906 411199288 /nfs/dbraw/zinc/19/92/88/411199288.db2.gz XQGRBDAGEUXLOL-STQMWFEESA-N 1 3 244.423 2.401 20 0 BEADHO C[C@H](Cc1ccccn1)N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000656193317 411200544 /nfs/dbraw/zinc/20/05/44/411200544.db2.gz GCGODLMABMJLTI-IPYPFGDCSA-N 1 3 247.386 2.133 20 0 BEADHO CCOC1CC(CC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000656198659 411202660 /nfs/dbraw/zinc/20/26/60/411202660.db2.gz BVIUKVDUMYHSMH-DKNRTOFZSA-N 1 3 240.391 2.051 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCOC2CCCC2)C1 ZINC000656197216 411202904 /nfs/dbraw/zinc/20/29/04/411202904.db2.gz PMICIMVXDRFVPL-STQMWFEESA-N 1 3 240.391 2.195 20 0 BEADHO CC(C)NCCC[NH2+]C(C1CC1)C1CC1 ZINC000049237986 411229056 /nfs/dbraw/zinc/22/90/56/411229056.db2.gz LOZWGRCAASFCDB-UHFFFAOYSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCOC1CCCC1 ZINC000422827473 411232836 /nfs/dbraw/zinc/23/28/36/411232836.db2.gz MZNRJNUXAGGTCV-RYUDHWBXSA-N 1 3 228.380 2.051 20 0 BEADHO COCC[C@H](C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423173430 411236592 /nfs/dbraw/zinc/23/65/92/411236592.db2.gz YOQBHOOUKRDEHW-GLQYFDAESA-N 1 3 248.370 2.393 20 0 BEADHO CC1(C)[C@H](NCC[NH3+])C[C@H]1c1ccccc1 ZINC000423193552 411238260 /nfs/dbraw/zinc/23/82/60/411238260.db2.gz WXJYNSOKTURFCQ-QWHCGFSZSA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H]1CCC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C1 ZINC000051889670 411285964 /nfs/dbraw/zinc/28/59/64/411285964.db2.gz XABDLEAURPRWHR-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCc2ccoc2)[C@H](C)C1 ZINC000658202198 411290893 /nfs/dbraw/zinc/29/08/93/411290893.db2.gz VGODWZBLQMKEJB-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@H](NCCc2ccoc2)[C@H](C)C1 ZINC000658202198 411290897 /nfs/dbraw/zinc/29/08/97/411290897.db2.gz VGODWZBLQMKEJB-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO C[NH+](C)C1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659839906 411326302 /nfs/dbraw/zinc/32/63/02/411326302.db2.gz ZYDKGPZHZNZGNW-MCIONIFRSA-N 1 3 236.403 2.449 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1CCNC1 ZINC000656788234 411368122 /nfs/dbraw/zinc/36/81/22/411368122.db2.gz YIYUXJRZJZTJPX-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000656788169 411368179 /nfs/dbraw/zinc/36/81/79/411368179.db2.gz QKVRXHYFZWJNQZ-PMPSAXMXSA-N 1 3 244.382 2.349 20 0 BEADHO Cc1cccnc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404286478 411388840 /nfs/dbraw/zinc/38/88/40/411388840.db2.gz IFRGYDIYQKEJGH-HIFRSBDPSA-N 1 3 247.386 2.339 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070344705 411391808 /nfs/dbraw/zinc/39/18/08/411391808.db2.gz ZNSWEGPOGDPZKB-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000070346244 411392034 /nfs/dbraw/zinc/39/20/34/411392034.db2.gz CIONQECJLPLYPO-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)COCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404406127 411394311 /nfs/dbraw/zinc/39/43/11/411394311.db2.gz UZLWCNFQDNEXNM-KBPBESRZSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@H]1C[NH2+]C[C@@H](NCC2CCCCC2)C1 ZINC000401784574 411395172 /nfs/dbraw/zinc/39/51/72/411395172.db2.gz YWAIDSPSSYKKGM-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO C1=CCC(C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000659949046 411508515 /nfs/dbraw/zinc/50/85/15/411508515.db2.gz UGAOXFNKWQNQFY-HNNXBMFYSA-N 1 3 234.387 2.370 20 0 BEADHO C1=CCC(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000659949046 411508516 /nfs/dbraw/zinc/50/85/16/411508516.db2.gz UGAOXFNKWQNQFY-HNNXBMFYSA-N 1 3 234.387 2.370 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cscn1 ZINC000655805374 411519464 /nfs/dbraw/zinc/51/94/64/411519464.db2.gz MUSIJSWFJZXYGP-MXWKQRLJSA-N 1 3 239.388 2.134 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C)s2)C1 ZINC000037484277 170008267 /nfs/dbraw/zinc/00/82/67/170008267.db2.gz KOGRKLCIVMRCDU-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484259 170008556 /nfs/dbraw/zinc/00/85/56/170008556.db2.gz OFKHHAZDBGZKKG-AWEZNQCLSA-N 1 3 218.344 2.118 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000249379256 170009553 /nfs/dbraw/zinc/00/95/53/170009553.db2.gz OJIFYRBJJVRVRB-OLZOCXBDSA-N 1 3 233.359 2.074 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cnccc2C)C1 ZINC000271373842 170010133 /nfs/dbraw/zinc/01/01/33/170010133.db2.gz HKLJGFMTGFBFFR-KGLIPLIRSA-N 1 3 247.386 2.382 20 0 BEADHO CC[NH2+]CC1CCN(CCC(F)(F)F)CC1 ZINC000070914083 170110327 /nfs/dbraw/zinc/11/03/27/170110327.db2.gz KVTRDAVIMYMELN-UHFFFAOYSA-N 1 3 238.297 2.260 20 0 BEADHO CC[NH2+]CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000131481371 170111774 /nfs/dbraw/zinc/11/17/74/170111774.db2.gz NZXMAOBCSDFJAT-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO c1coc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000657811425 411602950 /nfs/dbraw/zinc/60/29/50/411602950.db2.gz BOSQIETVHZSNRC-UHFFFAOYSA-N 1 3 248.370 2.491 20 0 BEADHO C(C[NH2+][C@@H]1CCCSCC1)CN1CCCC1 ZINC000657823930 411607816 /nfs/dbraw/zinc/60/78/16/411607816.db2.gz MCSORWOSMOXSDN-CYBMUJFWSA-N 1 3 242.432 2.348 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657831378 411609116 /nfs/dbraw/zinc/60/91/16/411609116.db2.gz WTCVWWPNJGJVTI-CYBMUJFWSA-N 1 3 240.391 2.018 20 0 BEADHO CC[N@@H+]1CCC[C@H](Nc2nccc3[nH]ccc32)C1 ZINC000663415805 411653899 /nfs/dbraw/zinc/65/38/99/411653899.db2.gz ROYZXAJGJIZGNE-NSHDSACASA-N 1 3 244.342 2.459 20 0 BEADHO CC[N@H+]1CCC[C@H](Nc2nccc3[nH]ccc32)C1 ZINC000663415805 411653902 /nfs/dbraw/zinc/65/39/02/411653902.db2.gz ROYZXAJGJIZGNE-NSHDSACASA-N 1 3 244.342 2.459 20 0 BEADHO C[C@H]1CCCC[C@@H]1C[NH2+]CC12CC(C1)CN2 ZINC000663497541 411678826 /nfs/dbraw/zinc/67/88/26/411678826.db2.gz HAZCJZYIPLTFGA-RJZJGCCBSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H]1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC000663497541 411678830 /nfs/dbraw/zinc/67/88/30/411678830.db2.gz HAZCJZYIPLTFGA-RJZJGCCBSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H]1CCCC[C@H]1C[NH2+]CC12CC(C1)CN2 ZINC000663497537 411679138 /nfs/dbraw/zinc/67/91/38/411679138.db2.gz HAZCJZYIPLTFGA-AHPWVWPOSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H]1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000663497537 411679142 /nfs/dbraw/zinc/67/91/42/411679142.db2.gz HAZCJZYIPLTFGA-AHPWVWPOSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)CN3)C[C@H]1C ZINC000663498144 411681000 /nfs/dbraw/zinc/68/10/00/411681000.db2.gz MHYQOJRPTLDHSS-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000663498144 411681007 /nfs/dbraw/zinc/68/10/07/411681007.db2.gz MHYQOJRPTLDHSS-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C12CC(C1)CN2 ZINC000663498573 411681305 /nfs/dbraw/zinc/68/13/05/411681305.db2.gz QENBSCXGIGXVPI-YTELLUSKSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@H]1CCC[C@@H](C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000663498573 411681308 /nfs/dbraw/zinc/68/13/08/411681308.db2.gz QENBSCXGIGXVPI-YTELLUSKSA-N 1 3 234.387 2.297 20 0 BEADHO CC(C)C[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000663500371 411683334 /nfs/dbraw/zinc/68/33/34/411683334.db2.gz QKIBUJUTZXLMPU-NWDGAFQWSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)C[C@@H](C)CNCC12CC(C1)C[NH2+]2 ZINC000663500886 411683587 /nfs/dbraw/zinc/68/35/87/411683587.db2.gz QHEDMFCCMFLGNB-PNESKVBLSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+]CC12CC(C1)CN2 ZINC000663500886 411683590 /nfs/dbraw/zinc/68/35/90/411683590.db2.gz QHEDMFCCMFLGNB-PNESKVBLSA-N 1 3 210.365 2.010 20 0 BEADHO C(CC1CCCCC1)[NH2+]CC12CC(C1)CN2 ZINC000663500356 411684555 /nfs/dbraw/zinc/68/45/55/411684555.db2.gz KNWMMRBHGSBLFC-UHFFFAOYSA-N 1 3 222.376 2.298 20 0 BEADHO C([NH2+]CC12CC(C1)CN2)C1CCCCCC1 ZINC000663501167 411685264 /nfs/dbraw/zinc/68/52/64/411685264.db2.gz BMHSUMJXOVRNCA-UHFFFAOYSA-N 1 3 222.376 2.298 20 0 BEADHO C(NCC12CC(C1)C[NH2+]2)C1CCCCCC1 ZINC000663501167 411685267 /nfs/dbraw/zinc/68/52/67/411685267.db2.gz BMHSUMJXOVRNCA-UHFFFAOYSA-N 1 3 222.376 2.298 20 0 BEADHO COC[C@@H](CC(C)C)NCC[C@@H]([NH3+])C(C)C ZINC000663502390 411686127 /nfs/dbraw/zinc/68/61/27/411686127.db2.gz HSYHSNFGWSEULS-CHWSQXEVSA-N 1 3 230.396 2.011 20 0 BEADHO Cc1ccc(CCCNCC[C@@H]([NH3+])C(C)C)cn1 ZINC000663502995 411687601 /nfs/dbraw/zinc/68/76/01/411687601.db2.gz KXKUUPYIMITDFC-OAHLLOKOSA-N 1 3 249.402 2.286 20 0 BEADHO Cc1ccc(CCC[NH2+]CC[C@@H](N)C(C)C)cn1 ZINC000663502995 411687607 /nfs/dbraw/zinc/68/76/07/411687607.db2.gz KXKUUPYIMITDFC-OAHLLOKOSA-N 1 3 249.402 2.286 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000663514766 411695120 /nfs/dbraw/zinc/69/51/20/411695120.db2.gz SUETUBSAYQSNEW-SRVKXCTJSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000663514768 411696564 /nfs/dbraw/zinc/69/65/64/411696564.db2.gz SUETUBSAYQSNEW-WOPDTQHZSA-N 1 3 212.381 2.399 20 0 BEADHO CCN1CCN(c2[nH+]ccc3[nH]ccc32)[C@H](C)C1 ZINC000663905144 411770800 /nfs/dbraw/zinc/77/08/00/411770800.db2.gz PUFCOPNJFNIBTH-LLVKDONJSA-N 1 3 244.342 2.093 20 0 BEADHO C[C@H](CCNc1ccnc2ccccc21)[NH+](C)C ZINC000664243853 411895666 /nfs/dbraw/zinc/89/56/66/411895666.db2.gz NBFKUBKLOPMMPY-GFCCVEGCSA-N 1 3 243.354 2.409 20 0 BEADHO CC(C)=CCC[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000662245758 412043295 /nfs/dbraw/zinc/04/32/95/412043295.db2.gz OKZXUSFQLABCMR-CHWSQXEVSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCC[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000662245758 412043299 /nfs/dbraw/zinc/04/32/99/412043299.db2.gz OKZXUSFQLABCMR-CHWSQXEVSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662245758 412043302 /nfs/dbraw/zinc/04/33/02/412043302.db2.gz OKZXUSFQLABCMR-CHWSQXEVSA-N 1 3 210.365 2.402 20 0 BEADHO C[C@@H]1CN(CCCC2CCC2)CC[C@H]1[NH3+] ZINC000662246977 412044733 /nfs/dbraw/zinc/04/47/33/412044733.db2.gz XOMQADSQKJIGDI-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CO[C@@H](CN(C)CC[C@@H]([NH3+])C(C)C)C1CCC1 ZINC000662248033 412046640 /nfs/dbraw/zinc/04/66/40/412046640.db2.gz RFBVAEXMZFUHHX-KGLIPLIRSA-N 1 3 242.407 2.107 20 0 BEADHO CO[C@@H](C[N@@H+]1CCCC[C@H]1CCN)C1CCC1 ZINC000662272585 412063166 /nfs/dbraw/zinc/06/31/66/412063166.db2.gz GVECBOWEVMPQIZ-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO CO[C@@H](C[N@H+]1CCCC[C@H]1CCN)C1CCC1 ZINC000662272585 412063170 /nfs/dbraw/zinc/06/31/70/412063170.db2.gz GVECBOWEVMPQIZ-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)=CCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000662282661 412072155 /nfs/dbraw/zinc/07/21/55/412072155.db2.gz PRRMRGUIPJKGAF-CHWSQXEVSA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000662282661 412072158 /nfs/dbraw/zinc/07/21/58/412072158.db2.gz PRRMRGUIPJKGAF-CHWSQXEVSA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662282661 412072159 /nfs/dbraw/zinc/07/21/59/412072159.db2.gz PRRMRGUIPJKGAF-CHWSQXEVSA-N 1 3 210.365 2.259 20 0 BEADHO c1ccc([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662282508 412073082 /nfs/dbraw/zinc/07/30/82/412073082.db2.gz AZFZFKFYHOWDPE-ZBFHGGJFSA-N 1 3 244.382 2.476 20 0 BEADHO C([C@H]1CC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662298724 412083626 /nfs/dbraw/zinc/08/36/26/412083626.db2.gz FUBFIMSOULDARW-LBPRGKRZSA-N 1 3 222.376 2.108 20 0 BEADHO CC[C@H](C)[C@@H](C)[N@H+](CCCNC)C1CC1 ZINC000336674214 171361969 /nfs/dbraw/zinc/36/19/69/171361969.db2.gz KBVBWKQULVASRN-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H](C)[C@@H](C)[N@@H+](CCCNC)C1CC1 ZINC000336674214 171361971 /nfs/dbraw/zinc/36/19/71/171361971.db2.gz KBVBWKQULVASRN-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336729578 171388630 /nfs/dbraw/zinc/38/86/30/171388630.db2.gz JDKSUNLPZLSPQU-RYUDHWBXSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@@H]([NH3+])CN1CC[C@@H](C2CCCCC2)C1 ZINC000662305362 412091527 /nfs/dbraw/zinc/09/15/27/412091527.db2.gz GFAUVCRMZADUSQ-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662317798 412097893 /nfs/dbraw/zinc/09/78/93/412097893.db2.gz SRCKECZRBKKNOH-OCCSQVGLSA-N 1 3 222.376 2.108 20 0 BEADHO CC[C@@H](C)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319148 412098392 /nfs/dbraw/zinc/09/83/92/412098392.db2.gz FMIAHFDZJBGLFE-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@@H]([NH2+]CC1C[C@H](C)C[C@@H](C)C1)C1CNC1 ZINC000665239610 412181257 /nfs/dbraw/zinc/18/12/57/412181257.db2.gz VVVMQMFFYUQQIS-IJLUTSLNSA-N 1 3 224.392 2.256 20 0 BEADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1cscn1 ZINC000665240722 412182853 /nfs/dbraw/zinc/18/28/53/412182853.db2.gz REVHKUBRQYPDQG-KPPDAEKUSA-N 1 3 239.388 2.311 20 0 BEADHO CC(C)[C@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000665242270 412185286 /nfs/dbraw/zinc/18/52/86/412185286.db2.gz QWCMMFGDBNGKSZ-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC1)[C@@H]1CCCC[C@H]1C ZINC000665241683 412185490 /nfs/dbraw/zinc/18/54/90/412185490.db2.gz WCBMGJYZCRCOOK-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000665245472 412189651 /nfs/dbraw/zinc/18/96/51/412189651.db2.gz JSAVNBIJPHQENB-UONOGXRCSA-N 1 3 218.344 2.273 20 0 BEADHO COC[C@@H](NCC1([NH3+])CCCC1)C1CCCC1 ZINC000665247467 412192078 /nfs/dbraw/zinc/19/20/78/412192078.db2.gz CHEVAHBBHJEKJF-CYBMUJFWSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1C(C)(C)C1(F)F ZINC000665273813 412215319 /nfs/dbraw/zinc/21/53/19/412215319.db2.gz DRXQSZFSIMHKJJ-GMTAPVOTSA-N 1 3 246.345 2.255 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665273813 412215323 /nfs/dbraw/zinc/21/53/23/412215323.db2.gz DRXQSZFSIMHKJJ-GMTAPVOTSA-N 1 3 246.345 2.255 20 0 BEADHO CC(C)(F)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000665261683 412203271 /nfs/dbraw/zinc/20/32/71/412203271.db2.gz JJTQZOQETHYUIR-WDEREUQCSA-N 1 3 216.344 2.232 20 0 BEADHO C[C@]1(CC[NH2+][C@H]2CCC[C@@H](N)C2)CC1(F)F ZINC000665266858 412204732 /nfs/dbraw/zinc/20/47/32/412204732.db2.gz KXFMJNLRLAOIBK-VWYCJHECSA-N 1 3 232.318 2.281 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263928 412206930 /nfs/dbraw/zinc/20/69/30/412206930.db2.gz YGYQNYSWMCGXEK-YHQUGGNUSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@]1(CN[C@H]2CCCCC[C@H]2[NH3+])CC1(F)F ZINC000665266805 412210743 /nfs/dbraw/zinc/21/07/43/412210743.db2.gz KCAZIQOFVCKVRM-OUAUKWLOSA-N 1 3 232.318 2.281 20 0 BEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccn1 ZINC000665232903 412172404 /nfs/dbraw/zinc/17/24/04/412172404.db2.gz XJYANQPOBIAIPY-GZBFAFLISA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccccn1 ZINC000665232903 412172407 /nfs/dbraw/zinc/17/24/07/412172407.db2.gz XJYANQPOBIAIPY-GZBFAFLISA-N 1 3 247.386 2.163 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc21 ZINC000422748071 412172657 /nfs/dbraw/zinc/17/26/57/412172657.db2.gz RTYGUKJOYLNZBO-YGARTUKASA-N 1 3 244.338 2.041 20 0 BEADHO CC[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665278788 412222878 /nfs/dbraw/zinc/22/28/78/412222878.db2.gz OUTFCAZSGBTKKA-YIFLHPOLSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665278788 412222881 /nfs/dbraw/zinc/22/28/81/412222881.db2.gz OUTFCAZSGBTKKA-YIFLHPOLSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H]1CCC12CCCC2)C12CC(C1)CN2 ZINC000665279833 412223776 /nfs/dbraw/zinc/22/37/76/412223776.db2.gz NIGMGFMQRLZDNE-LXVYMNJGSA-N 1 3 220.360 2.051 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280061 412224526 /nfs/dbraw/zinc/22/45/26/412224526.db2.gz SBEFKJDMPIUPNG-QPPOZKHWSA-N 1 3 240.366 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280061 412224530 /nfs/dbraw/zinc/22/45/30/412224530.db2.gz SBEFKJDMPIUPNG-QPPOZKHWSA-N 1 3 240.366 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280062 412225432 /nfs/dbraw/zinc/22/54/32/412225432.db2.gz SBEFKJDMPIUPNG-YIFLHPOLSA-N 1 3 240.366 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280062 412225436 /nfs/dbraw/zinc/22/54/36/412225436.db2.gz SBEFKJDMPIUPNG-YIFLHPOLSA-N 1 3 240.366 2.246 20 0 BEADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282234 412227393 /nfs/dbraw/zinc/22/73/93/412227393.db2.gz UCBTYBHGPSTFQW-MCIONIFRSA-N 1 3 242.407 2.155 20 0 BEADHO COCC[C@H]1CCC[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282235 412227720 /nfs/dbraw/zinc/22/77/20/412227720.db2.gz UCBTYBHGPSTFQW-MGPQQGTHSA-N 1 3 242.407 2.155 20 0 BEADHO [NH3+][C@H]1CCCCC[C@@H]1NCCCc1ccco1 ZINC000665283650 412228594 /nfs/dbraw/zinc/22/85/94/412228594.db2.gz RRVRVOWFFBEYKQ-KBPBESRZSA-N 1 3 236.359 2.462 20 0 BEADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000665284041 412228992 /nfs/dbraw/zinc/22/89/92/412228992.db2.gz ZKGQUJILDRGBID-YRGRVCCFSA-N 1 3 242.407 2.297 20 0 BEADHO COc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000665294073 412238780 /nfs/dbraw/zinc/23/87/80/412238780.db2.gz HNEMULQUUMDAGG-KBPBESRZSA-N 1 3 248.370 2.363 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337990052 172977942 /nfs/dbraw/zinc/97/79/42/172977942.db2.gz SCMPCQRTMJSBTG-HUUCEWRRSA-N 1 3 234.387 2.417 20 0 BEADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1CCOC1(C)C ZINC000328278706 173006128 /nfs/dbraw/zinc/00/61/28/173006128.db2.gz YSBNICBXVQCCNC-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1CCOC1(C)C ZINC000328278706 173006129 /nfs/dbraw/zinc/00/61/29/173006129.db2.gz YSBNICBXVQCCNC-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+]1CC2CCC1CC2 ZINC000371390481 173027444 /nfs/dbraw/zinc/02/74/44/173027444.db2.gz WPKPDMHOBNZETO-ROKHWSDSSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+]1CC2CCC1CC2 ZINC000371390481 173027446 /nfs/dbraw/zinc/02/74/46/173027446.db2.gz WPKPDMHOBNZETO-ROKHWSDSSA-N 1 3 222.376 2.345 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1)C2 ZINC000100243799 173206619 /nfs/dbraw/zinc/20/66/19/173206619.db2.gz IJBWOPMYRYEKGI-QKDCVEJESA-N 1 3 230.355 2.401 20 0 BEADHO CNC1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000042864242 173322903 /nfs/dbraw/zinc/32/29/03/173322903.db2.gz SGTDZEQRHDGHTK-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@H]2CCCC[C@H]2C)CC1 ZINC000042864242 173322904 /nfs/dbraw/zinc/32/29/04/173322904.db2.gz SGTDZEQRHDGHTK-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCC1CCN(Cc2ncccc2C)CC1 ZINC000161854939 173342509 /nfs/dbraw/zinc/34/25/09/173342509.db2.gz IEFYBKNRRBTSIC-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H](CC(C)C)C1 ZINC000309651969 173347103 /nfs/dbraw/zinc/34/71/03/173347103.db2.gz UBKZHZPLVKEOQK-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000309651969 173347105 /nfs/dbraw/zinc/34/71/05/173347105.db2.gz UBKZHZPLVKEOQK-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]C[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000221283703 173370653 /nfs/dbraw/zinc/37/06/53/173370653.db2.gz GCKDVGNWRPGYLR-KGLIPLIRSA-N 1 3 232.371 2.331 20 0 BEADHO C[NH2+]C[C@H]1CCN(Cc2cccc(C)c2C)C1 ZINC000071142593 173382010 /nfs/dbraw/zinc/38/20/10/173382010.db2.gz MJCJUUVQPGBFGO-CQSZACIVSA-N 1 3 232.371 2.345 20 0 BEADHO COCCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179968 174339972 /nfs/dbraw/zinc/33/99/72/174339972.db2.gz ZSZVWMSKYUHTIH-GJZGRUSLSA-N 1 3 248.370 2.058 20 0 BEADHO COCCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340179968 174339974 /nfs/dbraw/zinc/33/99/74/174339974.db2.gz ZSZVWMSKYUHTIH-GJZGRUSLSA-N 1 3 248.370 2.058 20 0 BEADHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093209640 175109931 /nfs/dbraw/zinc/10/99/31/175109931.db2.gz DIOOHLZCSWWPID-QWHCGFSZSA-N 1 3 234.343 2.055 20 0 BEADHO COc1ccc(Cl)cc1CNCCCC[NH3+] ZINC000038051615 175120819 /nfs/dbraw/zinc/12/08/19/175120819.db2.gz OOHYJYDPYBPCGQ-UHFFFAOYSA-N 1 3 242.750 2.177 20 0 BEADHO COc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000105480727 175267878 /nfs/dbraw/zinc/26/78/78/175267878.db2.gz ZGYKOAUGHLRSPA-DOMZBBRYSA-N 1 3 248.370 2.125 20 0 BEADHO COc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000105480727 175267879 /nfs/dbraw/zinc/26/78/79/175267879.db2.gz ZGYKOAUGHLRSPA-DOMZBBRYSA-N 1 3 248.370 2.125 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000235217236 175549316 /nfs/dbraw/zinc/54/93/16/175549316.db2.gz WYYOEWLPOHLWOH-NWDGAFQWSA-N 1 3 228.405 2.002 20 0 BEADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2cccnc2)CC1 ZINC000110643853 175801463 /nfs/dbraw/zinc/80/14/63/175801463.db2.gz CBINASZVGXFCBM-VXGBXAGGSA-N 1 3 233.359 2.202 20 0 BEADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251604126 176021452 /nfs/dbraw/zinc/02/14/52/176021452.db2.gz DEXULUOWZSCBAU-MBNYWOFBSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H](c1ccccc1)N1CCC[C@H](C[NH3+])C1 ZINC000044527645 176022316 /nfs/dbraw/zinc/02/23/16/176022316.db2.gz NVTLGACRAYICGY-QWHCGFSZSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN ZINC000251566350 176081829 /nfs/dbraw/zinc/08/18/29/176081829.db2.gz AMVCXRFNOSPKSL-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CCC[C@H](CCN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000359294838 176136438 /nfs/dbraw/zinc/13/64/38/176136438.db2.gz AUVFLLAFSVICSF-KBUPBQIOSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335604328 176149455 /nfs/dbraw/zinc/14/94/55/176149455.db2.gz WYQKMICPHZGGRJ-DGCLKSJQSA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCCNC2)C1 ZINC000235332458 176206837 /nfs/dbraw/zinc/20/68/37/176206837.db2.gz STWCNQFYYRDJCH-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCCNC2)C1 ZINC000235332458 176206838 /nfs/dbraw/zinc/20/68/38/176206838.db2.gz STWCNQFYYRDJCH-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](CCC(C)(C)C)[NH2+]CCOCCN(C)C ZINC000302560145 176616173 /nfs/dbraw/zinc/61/61/73/176616173.db2.gz XZXFTPOQNCREEV-CYBMUJFWSA-N 1 3 244.423 2.369 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125318735 177044049 /nfs/dbraw/zinc/04/40/49/177044049.db2.gz NZZGOCAJVWEUFJ-RQJABVFESA-N 1 3 245.370 2.202 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335044240 177174727 /nfs/dbraw/zinc/17/47/27/177174727.db2.gz XWUARBRLFUUIBF-LRDDRELGSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NC1Cc2ccccc2C1 ZINC000335044240 177174728 /nfs/dbraw/zinc/17/47/28/177174728.db2.gz XWUARBRLFUUIBF-LRDDRELGSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309105912 177193231 /nfs/dbraw/zinc/19/32/31/177193231.db2.gz HWKXDEILZBQEHM-WCQYABFASA-N 1 3 208.349 2.027 20 0 BEADHO C[C@H]1CN(CC2CCCCCC2)C[C@@H]1[NH3+] ZINC000235669464 177246636 /nfs/dbraw/zinc/24/66/36/177246636.db2.gz ZVRBWVXUAJALGW-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CN(CCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000049713012 177249892 /nfs/dbraw/zinc/24/98/92/177249892.db2.gz DRNWZLBWEXEPDR-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H]1CN(c2ccnc3ccccc32)C[C@@H]1[NH3+] ZINC000235716323 177277204 /nfs/dbraw/zinc/27/72/04/177277204.db2.gz FOEYTZBFVYKWDI-JQWIXIFHSA-N 1 3 227.311 2.018 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCc1ccccc1 ZINC000049708927 177327710 /nfs/dbraw/zinc/32/77/10/177327710.db2.gz NSBXMYHTQVVHAT-JSGCOSHPSA-N 1 3 218.344 2.041 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2CCCCCC2)CCN1 ZINC000235693349 177331323 /nfs/dbraw/zinc/33/13/23/177331323.db2.gz NYPFZJFPGKJMLM-AAEUAGOBSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1C[C@@H]1CN(CCC[NH3+])Cc1ccccc1 ZINC000339406329 177342304 /nfs/dbraw/zinc/34/23/04/177342304.db2.gz GEGUPNWLMMYFKQ-DZGCQCFKSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@H]1C[C@@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000339406329 177342306 /nfs/dbraw/zinc/34/23/06/177342306.db2.gz GEGUPNWLMMYFKQ-DZGCQCFKSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@H]1C[C@@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000339406329 177342308 /nfs/dbraw/zinc/34/23/08/177342308.db2.gz GEGUPNWLMMYFKQ-DZGCQCFKSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@H]1C[C@H](NCCOc2ccccc2)CC[N@@H+]1C ZINC000129652449 177370189 /nfs/dbraw/zinc/37/01/89/177370189.db2.gz XBJHOCRFFJIVDB-UONOGXRCSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@H]1C[C@H](NCCOc2ccccc2)CC[N@H+]1C ZINC000129652449 177370191 /nfs/dbraw/zinc/37/01/91/177370191.db2.gz XBJHOCRFFJIVDB-UONOGXRCSA-N 1 3 248.370 2.138 20 0 BEADHO Cc1cc(N2CCN(C)[C@H](C(C)C)C2)cc[nH+]1 ZINC000487078080 225286887 /nfs/dbraw/zinc/28/68/87/225286887.db2.gz XWTKXASOTAYVSJ-AWEZNQCLSA-N 1 3 233.359 2.166 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000488310706 225366563 /nfs/dbraw/zinc/36/65/63/225366563.db2.gz HJMONTNTFAWEAR-SYQHCUMBSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000488310706 225366566 /nfs/dbraw/zinc/36/65/66/225366566.db2.gz HJMONTNTFAWEAR-SYQHCUMBSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H](N[C@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400630251 226348006 /nfs/dbraw/zinc/34/80/06/226348006.db2.gz LPLFJCSAWJOUJS-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000400630251 226348007 /nfs/dbraw/zinc/34/80/07/226348007.db2.gz LPLFJCSAWJOUJS-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](N[C@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000400690082 226349502 /nfs/dbraw/zinc/34/95/02/226349502.db2.gz YVEBUJKQOROWDE-ASUPZPJHSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@@H]1CCCN1 ZINC000400690082 226349503 /nfs/dbraw/zinc/34/95/03/226349503.db2.gz YVEBUJKQOROWDE-ASUPZPJHSA-N 1 3 222.376 2.295 20 0 BEADHO C[NH2+]CCN[C@H]1CCC[C@H]1CCC(C)C ZINC000414838044 487693888 /nfs/dbraw/zinc/69/38/88/487693888.db2.gz YJHRLQGDOZLHCT-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000088169919 487708697 /nfs/dbraw/zinc/70/86/97/487708697.db2.gz VDNWWONLSFYFKI-UHTWSYAYSA-N 1 3 219.332 2.002 20 0 BEADHO CC[C@H]1C[C@@H]([NH2+]CCCN(C)C(C)C)CCO1 ZINC000226340009 487714394 /nfs/dbraw/zinc/71/43/94/487714394.db2.gz JIAGANJGGRZTTH-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@]1(C)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000379462400 487734048 /nfs/dbraw/zinc/73/40/48/487734048.db2.gz UKWLVJVPNUJENT-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C(C1CCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250681430 487739047 /nfs/dbraw/zinc/73/90/47/487739047.db2.gz YMTNIUSCZAGENU-UONOGXRCSA-N 1 3 222.376 2.251 20 0 BEADHO c1ccc(C2CC2)c(C[NH2+]C2CCNCC2)c1 ZINC000666734173 487744980 /nfs/dbraw/zinc/74/49/80/487744980.db2.gz DHMAISQDGVJXNB-UHFFFAOYSA-N 1 3 230.355 2.406 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000251124418 487748527 /nfs/dbraw/zinc/74/85/27/487748527.db2.gz RXFKURYNWJQPFN-RYUDHWBXSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000251124418 487748532 /nfs/dbraw/zinc/74/85/32/487748532.db2.gz RXFKURYNWJQPFN-RYUDHWBXSA-N 1 3 212.381 2.210 20 0 BEADHO CC[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1N ZINC000157894876 487760702 /nfs/dbraw/zinc/76/07/02/487760702.db2.gz ZRNVHNGETJENMA-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1N ZINC000157894876 487760709 /nfs/dbraw/zinc/76/07/09/487760709.db2.gz ZRNVHNGETJENMA-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C2CC2)CCN1 ZINC000414951288 487773705 /nfs/dbraw/zinc/77/37/05/487773705.db2.gz PNLIRSVKZXACNB-RUZUBIRVSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414961347 487778944 /nfs/dbraw/zinc/77/89/44/487778944.db2.gz YWLCPXKLBXVHKY-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]1C[N@H+](CCCC(C)C)CC[C@H]1N ZINC000251720829 487792717 /nfs/dbraw/zinc/79/27/17/487792717.db2.gz JYGUWFSKABZEFL-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1C[N@@H+](CCCC(C)C)CC[C@H]1N ZINC000251720829 487792721 /nfs/dbraw/zinc/79/27/21/487792721.db2.gz JYGUWFSKABZEFL-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1CN(CCCC(C)C)CC[C@H]1[NH3+] ZINC000251720829 487792726 /nfs/dbraw/zinc/79/27/26/487792726.db2.gz JYGUWFSKABZEFL-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO [NH3+]CCCN1CCCCC[C@H]1c1ccncc1 ZINC000414671209 487817897 /nfs/dbraw/zinc/81/78/97/487817897.db2.gz NJYRXTJMEMADEO-AWEZNQCLSA-N 1 3 233.359 2.348 20 0 BEADHO Cc1ccccc1CC(C)(C)[NH2+]CCCN ZINC000414701272 487819158 /nfs/dbraw/zinc/81/91/58/487819158.db2.gz GQQGKQXMYHMLKP-UHFFFAOYSA-N 1 3 220.360 2.255 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494960061 527817954 /nfs/dbraw/zinc/81/79/54/527817954.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 1 3 242.432 2.013 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494960061 527817966 /nfs/dbraw/zinc/81/79/66/527817966.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCSC2)C1 ZINC000494960061 527817974 /nfs/dbraw/zinc/81/79/74/527817974.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCSC2)C1 ZINC000494960061 527817979 /nfs/dbraw/zinc/81/79/79/527817979.db2.gz XPQLSXMEVCJQLA-STQMWFEESA-N 1 3 242.432 2.013 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252866671 487836885 /nfs/dbraw/zinc/83/68/85/487836885.db2.gz QMCRWCQNUWMDCQ-UQOMUDLDSA-N 1 3 245.370 2.202 20 0 BEADHO CC[C@H]1CN(C)c2ccccc2CN1CCC[NH3+] ZINC000666650358 487851912 /nfs/dbraw/zinc/85/19/12/487851912.db2.gz LTHKLVSPTNHPAP-AWEZNQCLSA-N 1 3 247.386 2.066 20 0 BEADHO C[C@H](CC1CCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000666770900 487855350 /nfs/dbraw/zinc/85/53/50/487855350.db2.gz YZCHYGLAATZPPK-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCNC[C@@H]2C)s1 ZINC000309331794 487867212 /nfs/dbraw/zinc/86/72/12/487867212.db2.gz IYPGJGPJIAKXAB-GWCFXTLKSA-N 1 3 238.400 2.398 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H]2CCCNCC2)cn1 ZINC000666857854 487873401 /nfs/dbraw/zinc/87/34/01/487873401.db2.gz MLSWVSPOVXXBAL-HNNXBMFYSA-N 1 3 247.386 2.054 20 0 BEADHO Cc1ccc(CCCN[C@H]2CCC[NH2+]CC2)cn1 ZINC000666857854 487873407 /nfs/dbraw/zinc/87/34/07/487873407.db2.gz MLSWVSPOVXXBAL-HNNXBMFYSA-N 1 3 247.386 2.054 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@H]1CCCNCC1 ZINC000666857874 487891580 /nfs/dbraw/zinc/89/15/80/487891580.db2.gz NORBYRPPWGOECI-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCCNCC1 ZINC000666858971 487891625 /nfs/dbraw/zinc/89/16/25/487891625.db2.gz PVIMAQWVTCHRCK-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCNC[C@H]1C ZINC000666880451 487895217 /nfs/dbraw/zinc/89/52/17/487895217.db2.gz NCSSKPYCEMXRIP-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C[NH2+][C@H]2CCNC3(CCC3)C2)CCC1 ZINC000666993918 487902259 /nfs/dbraw/zinc/90/22/59/487902259.db2.gz SSOCSWGZEFCAOH-LBPRGKRZSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC1(C)C)C(C)(C)C ZINC000666966504 487920116 /nfs/dbraw/zinc/92/01/16/487920116.db2.gz YNERLDFBCZPQFQ-MNOVXSKESA-N 1 3 212.381 2.399 20 0 BEADHO C([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1CCSC1 ZINC000666993956 487923453 /nfs/dbraw/zinc/92/34/53/487923453.db2.gz WMIKMHCQNXIAOZ-RYUDHWBXSA-N 1 3 240.416 2.004 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccnc2ccccc12 ZINC000564970368 322984180 /nfs/dbraw/zinc/98/41/80/322984180.db2.gz JTFBWNZQOYZSRT-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000570107599 323050271 /nfs/dbraw/zinc/05/02/71/323050271.db2.gz XURHFGCJIMBPDJ-BNOWGMLFSA-N 1 3 248.370 2.183 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000570226585 323053713 /nfs/dbraw/zinc/05/37/13/323053713.db2.gz OBADUXRTNNUTGF-QPPOZKHWSA-N 1 3 222.376 2.426 20 0 BEADHO Cc1ccncc1CNCc1ccc(C[NH3+])cc1 ZINC000563136126 323094912 /nfs/dbraw/zinc/09/49/12/323094912.db2.gz SIMSPWJVXLAYRK-UHFFFAOYSA-N 1 3 241.338 2.139 20 0 BEADHO Cc1cccc(CNCCC[NH+]2CCC2)c1C ZINC000534311518 323116225 /nfs/dbraw/zinc/11/62/25/323116225.db2.gz OTXPVYKUFJBHDZ-UHFFFAOYSA-N 1 3 232.371 2.489 20 0 BEADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)C[C@H]2C)CCO1 ZINC000563350987 323120072 /nfs/dbraw/zinc/12/00/72/323120072.db2.gz UOQXEALTPGSJKX-AAVRWANBSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)C[C@H]2C)CCO1 ZINC000563350987 323120073 /nfs/dbraw/zinc/12/00/73/323120073.db2.gz UOQXEALTPGSJKX-AAVRWANBSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000563350987 323120074 /nfs/dbraw/zinc/12/00/74/323120074.db2.gz UOQXEALTPGSJKX-AAVRWANBSA-N 1 3 240.391 2.003 20 0 BEADHO Cc1ccc(CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000531940792 323155983 /nfs/dbraw/zinc/15/59/83/323155983.db2.gz MRBLERYZRSCBKY-AAEUAGOBSA-N 1 3 236.359 2.203 20 0 BEADHO Cc1ccc(CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000531940792 323155984 /nfs/dbraw/zinc/15/59/84/323155984.db2.gz MRBLERYZRSCBKY-AAEUAGOBSA-N 1 3 236.359 2.203 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CC1 ZINC000323953517 323188345 /nfs/dbraw/zinc/18/83/45/323188345.db2.gz AAYXGQJTRYINKS-WXHSDQCUSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C1CC1 ZINC000323953516 323188349 /nfs/dbraw/zinc/18/83/49/323188349.db2.gz AAYXGQJTRYINKS-UHTWSYAYSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530211581 323211534 /nfs/dbraw/zinc/21/15/34/323211534.db2.gz MPYXEOLXLXVZHI-PWSUYJOCSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530211581 323211536 /nfs/dbraw/zinc/21/15/36/323211536.db2.gz MPYXEOLXLXVZHI-PWSUYJOCSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CN(CC2CC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000530211581 323211538 /nfs/dbraw/zinc/21/15/38/323211538.db2.gz MPYXEOLXLXVZHI-PWSUYJOCSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H](CN)C[NH2+]C(C1CCC1)C1CCC1 ZINC000324712296 323266048 /nfs/dbraw/zinc/26/60/48/323266048.db2.gz CJGXFFGJNIPSSN-SNVBAGLBSA-N 1 3 210.365 2.140 20 0 BEADHO C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCCNC1 ZINC000324788293 323282504 /nfs/dbraw/zinc/28/25/04/323282504.db2.gz IYKBDOIRJGNIOF-FZMZJTMJSA-N 1 3 222.376 2.154 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122588709 324050609 /nfs/dbraw/zinc/05/06/09/324050609.db2.gz JICUYKZJQAUSGO-XQQFMLRXSA-N 1 3 212.381 2.493 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H](C)COCC)CC1 ZINC000130018435 325004551 /nfs/dbraw/zinc/00/45/51/325004551.db2.gz JPIIFRVUSTWKMG-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130197736 325023400 /nfs/dbraw/zinc/02/34/00/325023400.db2.gz NCHMNIFHVAOTIW-KWCYVHTRSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H](COC)NC1CC[NH+](CC(C)C)CC1 ZINC000131229824 325127910 /nfs/dbraw/zinc/12/79/10/325127910.db2.gz ALFCFZCVQAYHNG-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000304365268 325146187 /nfs/dbraw/zinc/14/61/87/325146187.db2.gz FFYHAEMWNOEDRZ-JHJVBQTASA-N 1 3 242.432 2.058 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CCCCOC)C1 ZINC000076002682 325324686 /nfs/dbraw/zinc/32/46/86/325324686.db2.gz KDTMMKNZZKWSAT-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CCCCOC)C1 ZINC000076002682 325324688 /nfs/dbraw/zinc/32/46/88/325324688.db2.gz KDTMMKNZZKWSAT-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO COCc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000566473725 326053772 /nfs/dbraw/zinc/05/37/72/326053772.db2.gz LWTFWVCQLXAWNF-UHFFFAOYSA-N 1 3 248.370 2.018 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCC1(C)C ZINC000568182726 326321976 /nfs/dbraw/zinc/32/19/76/326321976.db2.gz ZOXVEXZVBDTGDJ-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO CCc1cccc(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000568630904 326368929 /nfs/dbraw/zinc/36/89/29/326368929.db2.gz VEBMTIHIBBOZCR-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H](C)N)c1 ZINC000568749353 326374852 /nfs/dbraw/zinc/37/48/52/326374852.db2.gz VYVNQVNVZFXTRO-OCCSQVGLSA-N 1 3 248.370 2.049 20 0 BEADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H](C)N)c1 ZINC000568749353 326374853 /nfs/dbraw/zinc/37/48/53/326374853.db2.gz VYVNQVNVZFXTRO-OCCSQVGLSA-N 1 3 248.370 2.049 20 0 BEADHO COC[C@@H](NCCC[NH2+]C(C)C)C1CCCC1 ZINC000568974364 326383253 /nfs/dbraw/zinc/38/32/53/326383253.db2.gz JWXJMBNOLUDDLW-CQSZACIVSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1ccc(F)cc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000569002506 326386201 /nfs/dbraw/zinc/38/62/01/326386201.db2.gz BXRQKQBANDQAKS-MNOVXSKESA-N 1 3 224.323 2.350 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000388621081 487972585 /nfs/dbraw/zinc/97/25/85/487972585.db2.gz HGSIIDFDJUXJJO-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)CCCC(C)C ZINC000663510252 488055520 /nfs/dbraw/zinc/05/55/20/488055520.db2.gz CTEBQZZIGQWHEI-NEPJUHHUSA-N 1 3 200.370 2.399 20 0 BEADHO Cc1ccnc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000683003019 488085510 /nfs/dbraw/zinc/08/55/10/488085510.db2.gz SNUUDWPQZDRPLV-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO Cc1ccnc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000683010615 488090356 /nfs/dbraw/zinc/09/03/56/488090356.db2.gz CIFDNNGOQCENOW-DZGCQCFKSA-N 1 3 247.386 2.305 20 0 BEADHO Cc1ccnc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000683010615 488090358 /nfs/dbraw/zinc/09/03/58/488090358.db2.gz CIFDNNGOQCENOW-DZGCQCFKSA-N 1 3 247.386 2.305 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960180 488113522 /nfs/dbraw/zinc/11/35/22/488113522.db2.gz POGJRQPEEFMITM-LJISPDSOSA-N 1 3 236.403 2.495 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796579 488123630 /nfs/dbraw/zinc/12/36/30/488123630.db2.gz PJECVSPMODDHMB-XGUBFFRZSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)C(C)(C)C ZINC000168781063 487540315 /nfs/dbraw/zinc/54/03/15/487540315.db2.gz CXXGZGWMBHMBAP-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1N ZINC000022130143 487478336 /nfs/dbraw/zinc/47/83/36/487478336.db2.gz JBWFBMMQKGBHTC-GJZGRUSLSA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1N ZINC000022130143 487478338 /nfs/dbraw/zinc/47/83/38/487478338.db2.gz JBWFBMMQKGBHTC-GJZGRUSLSA-N 1 3 232.371 2.288 20 0 BEADHO CNC[C@@H]1CCC[N@@H+]1CCC(C)(C)C1CC1 ZINC000406051031 487498753 /nfs/dbraw/zinc/49/87/53/487498753.db2.gz HHSQWFHRKHVJLW-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@@H]1CCC[N@H+]1CCC(C)(C)C1CC1 ZINC000406051031 487498757 /nfs/dbraw/zinc/49/87/57/487498757.db2.gz HHSQWFHRKHVJLW-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H]1C[N@H+](CCCC(C)C)CC[C@@H]1N ZINC000161559906 487503203 /nfs/dbraw/zinc/50/32/03/487503203.db2.gz JYGUWFSKABZEFL-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1C[N@@H+](CCCC(C)C)CC[C@@H]1N ZINC000161559906 487503205 /nfs/dbraw/zinc/50/32/05/487503205.db2.gz JYGUWFSKABZEFL-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1CN(CCCC(C)C)CC[C@@H]1[NH3+] ZINC000161559906 487503208 /nfs/dbraw/zinc/50/32/08/487503208.db2.gz JYGUWFSKABZEFL-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000300242541 487505869 /nfs/dbraw/zinc/50/58/69/487505869.db2.gz NWRYZZCICDSAIN-MROQNXINSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000300242543 487505884 /nfs/dbraw/zinc/50/58/84/487505884.db2.gz NWRYZZCICDSAIN-XQHKEYJVSA-N 1 3 210.365 2.282 20 0 BEADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000093209613 488139473 /nfs/dbraw/zinc/13/94/73/488139473.db2.gz XSJJDFKHZZBQKC-KGLIPLIRSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093209613 488139476 /nfs/dbraw/zinc/13/94/76/488139476.db2.gz XSJJDFKHZZBQKC-KGLIPLIRSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000093209572 488139526 /nfs/dbraw/zinc/13/95/26/488139526.db2.gz XSJJDFKHZZBQKC-ZIAGYGMSSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093209572 488139532 /nfs/dbraw/zinc/13/95/32/488139532.db2.gz XSJJDFKHZZBQKC-ZIAGYGMSSA-N 1 3 248.370 2.097 20 0 BEADHO CCc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000258874267 488140482 /nfs/dbraw/zinc/14/04/82/488140482.db2.gz GFPZIMBAGJFCLF-HUUCEWRRSA-N 1 3 232.371 2.261 20 0 BEADHO CO[C@H](CN[C@@H](C)CC[NH+](C)C)C1CCCC1 ZINC000668710283 488151826 /nfs/dbraw/zinc/15/18/26/488151826.db2.gz JEWNGOWVOYNYNQ-GXTWGEPZSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](CN[C@H](C)CC[NH+](C)C)C1CCCC1 ZINC000668710286 488151981 /nfs/dbraw/zinc/15/19/81/488151981.db2.gz JEWNGOWVOYNYNQ-TZMCWYRMSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C(C)(C)C ZINC000310563647 488169004 /nfs/dbraw/zinc/16/90/04/488169004.db2.gz WOTRDOKSYHWAAQ-STQMWFEESA-N 1 3 244.423 2.054 20 0 BEADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C(C)(C)C ZINC000310563647 488169008 /nfs/dbraw/zinc/16/90/08/488169008.db2.gz WOTRDOKSYHWAAQ-STQMWFEESA-N 1 3 244.423 2.054 20 0 BEADHO Cc1ccccc1C[C@@H](C)[N@H+](C)CCCN ZINC000435383466 488170849 /nfs/dbraw/zinc/17/08/49/488170849.db2.gz GXNDHYWERKRBHJ-CYBMUJFWSA-N 1 3 220.360 2.207 20 0 BEADHO Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCN ZINC000435383466 488170854 /nfs/dbraw/zinc/17/08/54/488170854.db2.gz GXNDHYWERKRBHJ-CYBMUJFWSA-N 1 3 220.360 2.207 20 0 BEADHO CC1(CN2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000683696182 488209015 /nfs/dbraw/zinc/20/90/15/488209015.db2.gz GCDPWPSQOFMUMX-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CCC1CCC1 ZINC000398612560 488220552 /nfs/dbraw/zinc/22/05/52/488220552.db2.gz AUBGHZQWBKBMIS-CYBMUJFWSA-N 1 3 212.381 2.482 20 0 BEADHO c1ccc(CCCCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000122194246 490128783 /nfs/dbraw/zinc/12/87/83/490128783.db2.gz BUFPEFBIOZRFKX-HZPDHXFCSA-N 1 3 244.382 2.161 20 0 BEADHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000577887119 490221057 /nfs/dbraw/zinc/22/10/57/490221057.db2.gz FIDLLDYWYHAFMA-KBPBESRZSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@]1(CN)CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300802347 490568618 /nfs/dbraw/zinc/56/86/18/490568618.db2.gz DCTPNDQNNGXZQK-GHMZBOCLSA-N 1 3 232.318 2.093 20 0 BEADHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300802347 490568623 /nfs/dbraw/zinc/56/86/23/490568623.db2.gz DCTPNDQNNGXZQK-GHMZBOCLSA-N 1 3 232.318 2.093 20 0 BEADHO Cc1ncccc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404292489 491093593 /nfs/dbraw/zinc/09/35/93/491093593.db2.gz LVJHNICPMZWTLE-SWLSCSKDSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(O)cc1 ZINC000685470096 491100041 /nfs/dbraw/zinc/10/00/41/491100041.db2.gz UPZOGQPCBSUKNY-SWLSCSKDSA-N 1 3 248.370 2.164 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(O)cc1 ZINC000685470096 491100042 /nfs/dbraw/zinc/10/00/42/491100042.db2.gz UPZOGQPCBSUKNY-SWLSCSKDSA-N 1 3 248.370 2.164 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(O)cc1 ZINC000685470097 491100053 /nfs/dbraw/zinc/10/00/53/491100053.db2.gz UPZOGQPCBSUKNY-WFASDCNBSA-N 1 3 248.370 2.164 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(O)cc1 ZINC000685470097 491100054 /nfs/dbraw/zinc/10/00/54/491100054.db2.gz UPZOGQPCBSUKNY-WFASDCNBSA-N 1 3 248.370 2.164 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000259086651 491101978 /nfs/dbraw/zinc/10/19/78/491101978.db2.gz RNHWPKGUEOARJT-QWRGUYRKSA-N 1 3 238.400 2.495 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536715 491104882 /nfs/dbraw/zinc/10/48/82/491104882.db2.gz ZIIAFQBUEKTEAG-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536715 491104883 /nfs/dbraw/zinc/10/48/83/491104883.db2.gz ZIIAFQBUEKTEAG-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665282900 491107887 /nfs/dbraw/zinc/10/78/87/491107887.db2.gz DORVYRBLNKTLGN-JSGCOSHPSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCCc1ccco1 ZINC000665282900 491107889 /nfs/dbraw/zinc/10/78/89/491107889.db2.gz DORVYRBLNKTLGN-JSGCOSHPSA-N 1 3 236.359 2.190 20 0 BEADHO CCC[N@H+](C[C@@H]1CC[C@@H](C)O1)C1CCNCC1 ZINC000232018154 491123801 /nfs/dbraw/zinc/12/38/01/491123801.db2.gz XMZYAULPWGHSIR-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C1CCNCC1 ZINC000232018154 491123802 /nfs/dbraw/zinc/12/38/02/491123802.db2.gz XMZYAULPWGHSIR-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN(C[C@@H]1CC[C@@H](C)O1)C1CC[NH2+]CC1 ZINC000232018154 491123803 /nfs/dbraw/zinc/12/38/03/491123803.db2.gz XMZYAULPWGHSIR-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000086402320 491123854 /nfs/dbraw/zinc/12/38/54/491123854.db2.gz HBOSQUMJIVJVSP-NWDGAFQWSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H](NC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000400386909 533880883 /nfs/dbraw/zinc/88/08/83/533880883.db2.gz MCRKSBSPNHELHB-XQQFMLRXSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000400386909 533880891 /nfs/dbraw/zinc/88/08/91/533880891.db2.gz MCRKSBSPNHELHB-XQQFMLRXSA-N 1 3 208.349 2.073 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCC[C@@H](CNC)C1 ZINC000223496107 535610136 /nfs/dbraw/zinc/61/01/36/535610136.db2.gz QMZLCKLSOMTUCN-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCC[C@@H](CNC)C1 ZINC000223496107 535610140 /nfs/dbraw/zinc/61/01/40/535610140.db2.gz QMZLCKLSOMTUCN-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@H](C)CN1CCC[C@@H](C[NH2+]C)C1 ZINC000223496107 535610147 /nfs/dbraw/zinc/61/01/47/535610147.db2.gz QMZLCKLSOMTUCN-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000251286609 535610211 /nfs/dbraw/zinc/61/02/11/535610211.db2.gz GXYFGUWHCPGMAY-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000251286609 535610217 /nfs/dbraw/zinc/61/02/17/535610217.db2.gz GXYFGUWHCPGMAY-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000488358714 534022535 /nfs/dbraw/zinc/02/25/35/534022535.db2.gz XZNGOGZDKFIUBI-KFWWJZLASA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000488358714 534022542 /nfs/dbraw/zinc/02/25/42/534022542.db2.gz XZNGOGZDKFIUBI-KFWWJZLASA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488358714 534022549 /nfs/dbraw/zinc/02/25/49/534022549.db2.gz XZNGOGZDKFIUBI-KFWWJZLASA-N 1 3 236.403 2.450 20 0 BEADHO CC[C@H](COC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000079706463 536120576 /nfs/dbraw/zinc/12/05/76/536120576.db2.gz LUMXGLFRGMPURO-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](COC)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000079706463 536120579 /nfs/dbraw/zinc/12/05/79/536120579.db2.gz LUMXGLFRGMPURO-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](COC)NCCC[N@H+]1CCCC[C@@H]1C ZINC000079706463 536120582 /nfs/dbraw/zinc/12/05/82/536120582.db2.gz LUMXGLFRGMPURO-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000178511372 534945986 /nfs/dbraw/zinc/94/59/86/534945986.db2.gz UDVZLZPBVDDEOP-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@@H](C)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261532703 535162398 /nfs/dbraw/zinc/16/23/98/535162398.db2.gz CREYAENNOCTFLF-OLZOCXBDSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[C@@H](C)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261532703 535162402 /nfs/dbraw/zinc/16/24/02/535162402.db2.gz CREYAENNOCTFLF-OLZOCXBDSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000257789943 535176248 /nfs/dbraw/zinc/17/62/48/535176248.db2.gz XGYZEFMDIWROOC-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000257789943 535176250 /nfs/dbraw/zinc/17/62/50/535176250.db2.gz XGYZEFMDIWROOC-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCOCC1 ZINC000261560188 535296080 /nfs/dbraw/zinc/29/60/80/535296080.db2.gz UJEIPOZHPSIFEM-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccccc1 ZINC000261556493 535307848 /nfs/dbraw/zinc/30/78/48/535307848.db2.gz QVGKOKUJVJTMRN-CQSZACIVSA-N 1 3 236.359 2.028 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000130237421 535946954 /nfs/dbraw/zinc/94/69/54/535946954.db2.gz SKLBFACROWMELS-MJBXVCDLSA-N 1 3 222.376 2.391 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000336120953 536137090 /nfs/dbraw/zinc/13/70/90/536137090.db2.gz GJAFYROZJUEDIZ-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000336120953 536137097 /nfs/dbraw/zinc/13/70/97/536137097.db2.gz GJAFYROZJUEDIZ-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO COCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000152094729 536893494 /nfs/dbraw/zinc/89/34/94/536893494.db2.gz NGWSLTMXKAAYNT-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](CCN1CC[C@@H](C)C1)[N@@H+]1CC[C@@H](C)C1 ZINC000431606914 566366471 /nfs/dbraw/zinc/36/64/71/566366471.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CCN1CC[C@@H](C)C1)[N@H+]1CC[C@@H](C)C1 ZINC000431606914 566366475 /nfs/dbraw/zinc/36/64/75/566366475.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CC[N@@H+]1CC[C@@H](C)C1)N1CC[C@@H](C)C1 ZINC000431606914 566366483 /nfs/dbraw/zinc/36/64/83/566366483.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CC[N@H+]1CC[C@@H](C)C1)N1CC[C@@H](C)C1 ZINC000431606914 566366486 /nfs/dbraw/zinc/36/64/86/566366486.db2.gz VQTQYAIBAKWKHT-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[C@H](C[NH2+]CC[C@@H](N)C(C)C)CCO1 ZINC000853247180 588728849 /nfs/dbraw/zinc/72/88/49/588728849.db2.gz FUHIXARPIOEQHE-MGPQQGTHSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H](NCCC[NH3+])c1ccc2c(c1)CCCO2 ZINC000853249575 588729134 /nfs/dbraw/zinc/72/91/34/588729134.db2.gz RKPKQWNSJGNDJI-LLVKDONJSA-N 1 3 234.343 2.011 20 0 BEADHO CCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757135096 582514321 /nfs/dbraw/zinc/51/43/21/582514321.db2.gz YKEFQTJKBYWEMV-OLZOCXBDSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC000757135096 582514323 /nfs/dbraw/zinc/51/43/23/582514323.db2.gz YKEFQTJKBYWEMV-OLZOCXBDSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC000757135096 582514325 /nfs/dbraw/zinc/51/43/25/582514325.db2.gz YKEFQTJKBYWEMV-OLZOCXBDSA-N 1 3 210.365 2.393 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(CCc2cccs2)C1 ZINC000113514589 588842723 /nfs/dbraw/zinc/84/27/23/588842723.db2.gz YDWYRXNOJAVRLG-LBPRGKRZSA-N 1 3 238.400 2.174 20 0 BEADHO C[NH+](C)C[C@H]1CCN(CCc2cccs2)C1 ZINC000113514591 588842819 /nfs/dbraw/zinc/84/28/19/588842819.db2.gz YDWYRXNOJAVRLG-GFCCVEGCSA-N 1 3 238.400 2.174 20 0 BEADHO CC[C@H]1C[C@@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000892068940 582784227 /nfs/dbraw/zinc/78/42/27/582784227.db2.gz WPFSVMAEUONXSZ-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H]1C[C@@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000892068940 582784229 /nfs/dbraw/zinc/78/42/29/582784229.db2.gz WPFSVMAEUONXSZ-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253851 583136674 /nfs/dbraw/zinc/13/66/74/583136674.db2.gz TYHFFQVUQRVXFD-XHNCKOQMSA-N 1 3 239.190 2.286 20 0 BEADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000893674300 583193169 /nfs/dbraw/zinc/19/31/69/583193169.db2.gz YUNFREATYGOHLA-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H]1[C@@H](C)CC[N@H+]1CC1CCN(C)CC1 ZINC000893674300 583193171 /nfs/dbraw/zinc/19/31/71/583193171.db2.gz YUNFREATYGOHLA-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H]1[C@H](C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000893674301 583193524 /nfs/dbraw/zinc/19/35/24/583193524.db2.gz YUNFREATYGOHLA-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H]1[C@H](C)CC[N@H+]1CC1CCN(C)CC1 ZINC000893674301 583193527 /nfs/dbraw/zinc/19/35/27/583193527.db2.gz YUNFREATYGOHLA-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CCCC[N@H+](CC2CCN(C)CC2)C1 ZINC000893678567 583197702 /nfs/dbraw/zinc/19/77/02/583197702.db2.gz LEXIECRQXCPKCK-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@@H]1CCCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000893678567 583197705 /nfs/dbraw/zinc/19/77/05/583197705.db2.gz LEXIECRQXCPKCK-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H](CC[NH2+]CC1Cc2ccccc2C1)N(C)C ZINC000895293963 583637552 /nfs/dbraw/zinc/63/75/52/583637552.db2.gz LYWPTYKPWAVACF-CYBMUJFWSA-N 1 3 246.398 2.331 20 0 BEADHO CCCC[C@@H](COC)NCC[C@H](C)[NH+](C)C ZINC000895293042 583639011 /nfs/dbraw/zinc/63/90/11/583639011.db2.gz FUDRPXMKKULNSM-STQMWFEESA-N 1 3 230.396 2.121 20 0 BEADHO COCC1CCC([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000895293766 583639393 /nfs/dbraw/zinc/63/93/93/583639393.db2.gz PZXHTBKGQUVLJG-HSBZDZAISA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](CC[NH2+]CC1CCSCC1)N(C)C ZINC000895293149 583639796 /nfs/dbraw/zinc/63/97/96/583639796.db2.gz VFZDIJIHTVEUAL-NSHDSACASA-N 1 3 230.421 2.059 20 0 BEADHO CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H](C)N(C)C)CCO1 ZINC000895296936 583641495 /nfs/dbraw/zinc/64/14/95/583641495.db2.gz RDXPYHAUHHXTMB-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)N(C)C ZINC000895429604 583669020 /nfs/dbraw/zinc/66/90/20/583669020.db2.gz QQIMNQLKWYURFH-FQUUOJAGSA-N 1 3 224.392 2.495 20 0 BEADHO CN1CCC(C[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000895572701 583692207 /nfs/dbraw/zinc/69/22/07/583692207.db2.gz CLAGPDRRRJECFB-UHFFFAOYSA-N 1 3 246.345 2.449 20 0 BEADHO CN1CCC(C[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000895572701 583692208 /nfs/dbraw/zinc/69/22/08/583692208.db2.gz CLAGPDRRRJECFB-UHFFFAOYSA-N 1 3 246.345 2.449 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000897955450 584065478 /nfs/dbraw/zinc/06/54/78/584065478.db2.gz UVAGLQKMQOTMSJ-RYPNDVFKSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897955450 584065479 /nfs/dbraw/zinc/06/54/79/584065479.db2.gz UVAGLQKMQOTMSJ-RYPNDVFKSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897955450 584065480 /nfs/dbraw/zinc/06/54/80/584065480.db2.gz UVAGLQKMQOTMSJ-RYPNDVFKSA-N 1 3 234.387 2.391 20 0 BEADHO CSC1(CN(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000898308119 584109763 /nfs/dbraw/zinc/10/97/63/584109763.db2.gz OWBMKJBSDHFYBP-UHFFFAOYSA-N 1 3 244.448 2.402 20 0 BEADHO CSC[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331945 584562934 /nfs/dbraw/zinc/56/29/34/584562934.db2.gz WZTVKGSMGXHNFH-QWRGUYRKSA-N 1 3 230.421 2.106 20 0 BEADHO CSC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902331945 584562935 /nfs/dbraw/zinc/56/29/35/584562935.db2.gz WZTVKGSMGXHNFH-QWRGUYRKSA-N 1 3 230.421 2.106 20 0 BEADHO COCCCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902333202 584563727 /nfs/dbraw/zinc/56/37/27/584563727.db2.gz HZGGSQIIWUPHPU-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO CS[C@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902360245 584571274 /nfs/dbraw/zinc/57/12/74/584571274.db2.gz HHHRRCKDFVMDAD-MNOVXSKESA-N 1 3 230.421 2.106 20 0 BEADHO CS[C@H](C)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360245 584571275 /nfs/dbraw/zinc/57/12/75/584571275.db2.gz HHHRRCKDFVMDAD-MNOVXSKESA-N 1 3 230.421 2.106 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000902362642 584572503 /nfs/dbraw/zinc/57/25/03/584572503.db2.gz RCPVJXWOVBBXHF-CHWSQXEVSA-N 1 3 222.376 2.463 20 0 BEADHO COCC[C@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902390095 584581169 /nfs/dbraw/zinc/58/11/69/584581169.db2.gz GXNLBQGBWJVFQW-QWHCGFSZSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CS1 ZINC000902391305 584581723 /nfs/dbraw/zinc/58/17/23/584581723.db2.gz VBJCSHVWDRJPSI-GRYCIOLGSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNCC(C)(C)C2)CS1 ZINC000902391305 584581724 /nfs/dbraw/zinc/58/17/24/584581724.db2.gz VBJCSHVWDRJPSI-GRYCIOLGSA-N 1 3 242.432 2.248 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000902394329 584584369 /nfs/dbraw/zinc/58/43/69/584584369.db2.gz AWABNEZMWNHXKN-ZDUSSCGKSA-N 1 3 222.376 2.320 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 ZINC000902432806 584595595 /nfs/dbraw/zinc/59/55/95/584595595.db2.gz PZGBYRIPPIXPBP-ZYHUDNBSSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)C1CC1 ZINC000902434562 584595866 /nfs/dbraw/zinc/59/58/66/584595866.db2.gz XMYMKLHKIJANFU-NEPJUHHUSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000902434563 584596222 /nfs/dbraw/zinc/59/62/22/584596222.db2.gz XMYMKLHKIJANFU-NWDGAFQWSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902443928 584598300 /nfs/dbraw/zinc/59/83/00/584598300.db2.gz MOMUUDFVONAMHK-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CNCC1(C)C ZINC000902444871 584598812 /nfs/dbraw/zinc/59/88/12/584598812.db2.gz OVHNVZLBAXJWAG-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO NC1(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000902414038 584599877 /nfs/dbraw/zinc/59/98/77/584599877.db2.gz QWOBGUJBLVXVFI-ZDUSSCGKSA-N 1 3 248.395 2.098 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472661 584601381 /nfs/dbraw/zinc/60/13/81/584601381.db2.gz DOLCYTSXFBFOEZ-MHDGFBEUSA-N 1 3 234.343 2.083 20 0 BEADHO C1CC1[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473828 584601773 /nfs/dbraw/zinc/60/17/73/584601773.db2.gz AERUVHRGIZAXCH-CAEXGNQWSA-N 1 3 234.387 2.438 20 0 BEADHO C1CC1[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473830 584602012 /nfs/dbraw/zinc/60/20/12/584602012.db2.gz AERUVHRGIZAXCH-NIFZNCRKSA-N 1 3 234.387 2.438 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902447321 584604807 /nfs/dbraw/zinc/60/48/07/584604807.db2.gz SHEATWHJHNQJGA-VXGBXAGGSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CNCC1(C)C ZINC000902448173 584604906 /nfs/dbraw/zinc/60/49/06/584604906.db2.gz DGUBIMPOVBTSPN-RKDXNWHRSA-N 1 3 238.297 2.305 20 0 BEADHO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H]2CN)CCS1 ZINC000902451177 584606634 /nfs/dbraw/zinc/60/66/34/584606634.db2.gz GHFLTWQNMPIBIO-TUAOUCFPSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902450394 584606873 /nfs/dbraw/zinc/60/68/73/584606873.db2.gz DBYLETOSIKYIDH-QJPTWQEYSA-N 1 3 210.365 2.425 20 0 BEADHO CC1(C)NCC[C@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902453249 584608163 /nfs/dbraw/zinc/60/81/63/584608163.db2.gz OGZDIPJFTIDBFL-GHMZBOCLSA-N 1 3 242.432 2.391 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902453954 584608774 /nfs/dbraw/zinc/60/87/74/584608774.db2.gz GHVFPSULEBPTOU-YBMZZXOZSA-N 1 3 220.360 2.048 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CCCC[NH2+]1 ZINC000902454863 584609728 /nfs/dbraw/zinc/60/97/28/584609728.db2.gz JATAGWDYHNROGZ-QSLWVIQJSA-N 1 3 222.376 2.295 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H]1N3)C2 ZINC000902469638 584615332 /nfs/dbraw/zinc/61/53/32/584615332.db2.gz ZJYRYKHDEQEGSR-WCVJEAGWSA-N 1 3 242.366 2.026 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469163 584615533 /nfs/dbraw/zinc/61/55/33/584615533.db2.gz YLNXSWLIRCAFNO-QQOHENMQSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902468808 584615918 /nfs/dbraw/zinc/61/59/18/584615918.db2.gz VWLLOAITOWCRTP-ZOBORPQBSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000902505796 584621598 /nfs/dbraw/zinc/62/15/98/584621598.db2.gz UCWOQSYDESEANA-YVECIDJPSA-N 1 3 208.349 2.201 20 0 BEADHO C[C@H](N[C@@H]1CC=CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000902506167 584622300 /nfs/dbraw/zinc/62/23/00/584622300.db2.gz XFMDFHJWTGEGNC-XQHKEYJVSA-N 1 3 208.349 2.071 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)[C@@H]1CCCN1 ZINC000902506167 584622301 /nfs/dbraw/zinc/62/23/01/584622301.db2.gz XFMDFHJWTGEGNC-XQHKEYJVSA-N 1 3 208.349 2.071 20 0 BEADHO CCCC[C@@H](COC)[NH2+]C[C@H]1CCCCCN1 ZINC000902481862 584623922 /nfs/dbraw/zinc/62/39/22/584623922.db2.gz HLNTXJFTJCJTCG-KGLIPLIRSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)cn1 ZINC000902485201 584624955 /nfs/dbraw/zinc/62/49/55/584624955.db2.gz JAHXYGRHWDDNJC-QXEWZRGKSA-N 1 3 239.750 2.123 20 0 BEADHO Cc1ncccc1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000902514647 584629703 /nfs/dbraw/zinc/62/97/03/584629703.db2.gz TWCHXZDUFPHWJB-GJZGRUSLSA-N 1 3 247.386 2.040 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC/C=C\Cl)C1 ZINC000902517468 584630086 /nfs/dbraw/zinc/63/00/86/584630086.db2.gz HZJWOXNOWALPMO-HWKXXFMVSA-N 1 3 216.756 2.235 20 0 BEADHO CNc1ccccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000902571681 584636099 /nfs/dbraw/zinc/63/60/99/584636099.db2.gz LSSUKEXGLAIPPH-GFCCVEGCSA-N 1 3 235.375 2.016 20 0 BEADHO C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)CN(C)C ZINC000902999215 584714796 /nfs/dbraw/zinc/71/47/96/584714796.db2.gz MRAKNVWDEAUTNQ-YIYPIFLZSA-N 1 3 224.392 2.352 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1CC1 ZINC000903064922 584722742 /nfs/dbraw/zinc/72/27/42/584722742.db2.gz BWXFLFADUUCXIL-QXMXGUDHSA-N 1 3 220.360 2.144 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CC1 ZINC000903064922 584722743 /nfs/dbraw/zinc/72/27/43/584722743.db2.gz BWXFLFADUUCXIL-QXMXGUDHSA-N 1 3 220.360 2.144 20 0 BEADHO C([NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1)C1CC1 ZINC000903064922 584722744 /nfs/dbraw/zinc/72/27/44/584722744.db2.gz BWXFLFADUUCXIL-QXMXGUDHSA-N 1 3 220.360 2.144 20 0 BEADHO Cc1cc([C@H]2CCCN2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903430933 584761473 /nfs/dbraw/zinc/76/14/73/584761473.db2.gz JMFCNMPUVXMELC-MBNYWOFBSA-N 1 3 249.358 2.247 20 0 BEADHO C[C@@H]1CCC[C@@H](NC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000903458563 584765208 /nfs/dbraw/zinc/76/52/08/584765208.db2.gz DFSJYTCDCBXGBU-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2)[C@H]1C ZINC000903458563 584765210 /nfs/dbraw/zinc/76/52/10/584765210.db2.gz DFSJYTCDCBXGBU-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[N@@H+]1CC[C@H](NC/C=C\Cl)[C@@H]2CCC[C@H]21 ZINC000903443516 584768970 /nfs/dbraw/zinc/76/89/70/584768970.db2.gz HSZBAFZEITXKRQ-HJTBDDIRSA-N 1 3 228.767 2.201 20 0 BEADHO C[N@H+]1CC[C@H](NC/C=C\Cl)[C@@H]2CCC[C@H]21 ZINC000903443516 584768971 /nfs/dbraw/zinc/76/89/71/584768971.db2.gz HSZBAFZEITXKRQ-HJTBDDIRSA-N 1 3 228.767 2.201 20 0 BEADHO CN1CC[C@H]([NH2+]C/C=C\Cl)[C@@H]2CCC[C@H]21 ZINC000903443516 584768972 /nfs/dbraw/zinc/76/89/72/584768972.db2.gz HSZBAFZEITXKRQ-HJTBDDIRSA-N 1 3 228.767 2.201 20 0 BEADHO FCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903471262 584775274 /nfs/dbraw/zinc/77/52/74/584775274.db2.gz HKJKAGKAZYFXTL-LLVKDONJSA-N 1 3 214.328 2.000 20 0 BEADHO C(C[NH2+][C@H]1CCNC12CCC2)CC1CC1 ZINC000903472912 584775987 /nfs/dbraw/zinc/77/59/87/584775987.db2.gz WTAODAJGDPPMDD-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903472001 584776136 /nfs/dbraw/zinc/77/61/36/584776136.db2.gz OWAMAYUIWDXWPB-HZSPNIEDSA-N 1 3 234.387 2.297 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903481926 584778507 /nfs/dbraw/zinc/77/85/07/584778507.db2.gz QLVCRPOFBZVETE-XJFOESAGSA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903716264 584794452 /nfs/dbraw/zinc/79/44/52/584794452.db2.gz LESVNSHWTXHJCB-KPFVRQRISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716264 584794454 /nfs/dbraw/zinc/79/44/54/584794454.db2.gz LESVNSHWTXHJCB-KPFVRQRISA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CC(C)C2)CC[C@H]1N ZINC000903747784 584794631 /nfs/dbraw/zinc/79/46/31/584794631.db2.gz XJMVTHOZTBCECH-FIYWTHMPSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CC(C)C2)CC[C@H]1N ZINC000903747784 584794633 /nfs/dbraw/zinc/79/46/33/584794633.db2.gz XJMVTHOZTBCECH-FIYWTHMPSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1CN(CC2CC(C)C2)CC[C@H]1[NH3+] ZINC000903747784 584794635 /nfs/dbraw/zinc/79/46/35/584794635.db2.gz XJMVTHOZTBCECH-FIYWTHMPSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccccc2CF)C1 ZINC000903744717 584796943 /nfs/dbraw/zinc/79/69/43/584796943.db2.gz XMXQSWWXBFPOSJ-DGCLKSJQSA-N 1 3 236.334 2.325 20 0 BEADHO CC1CC(CN2CCCCC[C@H]([NH3+])C2)C1 ZINC000903775461 584799028 /nfs/dbraw/zinc/79/90/28/584799028.db2.gz LFQLAYYYPAEAOX-BPCQOVAHSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CNCC1(C)C ZINC000903821463 584804077 /nfs/dbraw/zinc/80/40/77/584804077.db2.gz LEWSVDFVCSCARB-NEPJUHHUSA-N 1 3 212.381 2.256 20 0 BEADHO [NH3+]C[C@]12CC[C@H]1CCN2C[C@H]1CCC(F)(F)C1 ZINC000903861805 584811664 /nfs/dbraw/zinc/81/16/64/584811664.db2.gz YFTSYNGDPOIKIS-SDDRHHMPSA-N 1 3 244.329 2.235 20 0 BEADHO [NH3+]C[C@]12CC[C@H]1CCN2C[C@@H]1CCC(F)(F)C1 ZINC000903861802 584811718 /nfs/dbraw/zinc/81/17/18/584811718.db2.gz YFTSYNGDPOIKIS-GRYCIOLGSA-N 1 3 244.329 2.235 20 0 BEADHO NC[C@@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863360 584812894 /nfs/dbraw/zinc/81/28/94/584812894.db2.gz KVUKDCMRQONQJI-GJZGRUSLSA-N 1 3 248.345 2.469 20 0 BEADHO NC[C@@]12CC[C@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863360 584812896 /nfs/dbraw/zinc/81/28/96/584812896.db2.gz KVUKDCMRQONQJI-GJZGRUSLSA-N 1 3 248.345 2.469 20 0 BEADHO CC[C@]1(C)CCC[N@H+](C[C@H](N)CC(F)F)C1 ZINC000903894988 584819441 /nfs/dbraw/zinc/81/94/41/584819441.db2.gz JBSAZXWBRUXVHG-ZYHUDNBSSA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@]1(C)CCC[N@@H+](C[C@H](N)CC(F)F)C1 ZINC000903894988 584819442 /nfs/dbraw/zinc/81/94/42/584819442.db2.gz JBSAZXWBRUXVHG-ZYHUDNBSSA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@@]1(C)CCC[N@H+](C[C@@H](N)CC(F)F)C1 ZINC000903894986 584819666 /nfs/dbraw/zinc/81/96/66/584819666.db2.gz JBSAZXWBRUXVHG-JQWIXIFHSA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@@]1(C)CCC[N@@H+](C[C@@H](N)CC(F)F)C1 ZINC000903894986 584819668 /nfs/dbraw/zinc/81/96/68/584819668.db2.gz JBSAZXWBRUXVHG-JQWIXIFHSA-N 1 3 234.334 2.481 20 0 BEADHO N[C@H](C[NH2+]C1(c2ccccc2)CC1)CC(F)F ZINC000903899505 584820570 /nfs/dbraw/zinc/82/05/70/584820570.db2.gz SNEUFNSCSQQGDY-NSHDSACASA-N 1 3 240.297 2.248 20 0 BEADHO C[C@@H](Cc1cccs1)NC[C@H]([NH3+])CC(F)F ZINC000903923257 584823874 /nfs/dbraw/zinc/82/38/74/584823874.db2.gz OZMFWTRPCSLLCO-DTWKUNHWSA-N 1 3 248.342 2.251 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CNC[C@H]1C ZINC000903964103 584833833 /nfs/dbraw/zinc/83/38/33/584833833.db2.gz LTHLBJJINUOREQ-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000903964098 584833861 /nfs/dbraw/zinc/83/38/61/584833861.db2.gz LJADWHKUEKEHNH-SYLRKERUSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CNCC(C)(C)c1ccccc1 ZINC000903963998 584834093 /nfs/dbraw/zinc/83/40/93/584834093.db2.gz DCSVXOMCQXCBID-KGLIPLIRSA-N 1 3 246.398 2.409 20 0 BEADHO Cc1ccccc1C[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968304 584835022 /nfs/dbraw/zinc/83/50/22/584835022.db2.gz SAULRSCCAPWEBR-YCPHGPKFSA-N 1 3 246.398 2.371 20 0 BEADHO CCC[N@H+](C)C[C@H](N)CCC(C)(C)C ZINC000904307709 584862808 /nfs/dbraw/zinc/86/28/08/584862808.db2.gz UIBROLKOMLRUPP-LLVKDONJSA-N 1 3 200.370 2.482 20 0 BEADHO CCC[N@@H+](C)C[C@H](N)CCC(C)(C)C ZINC000904307709 584862809 /nfs/dbraw/zinc/86/28/09/584862809.db2.gz UIBROLKOMLRUPP-LLVKDONJSA-N 1 3 200.370 2.482 20 0 BEADHO C[N@H+](C[C@]1(C)CCCNC1)C(C1CC1)C1CC1 ZINC000904313778 584863546 /nfs/dbraw/zinc/86/35/46/584863546.db2.gz JYVWPTJDBZFIAG-OAHLLOKOSA-N 1 3 236.403 2.497 20 0 BEADHO C[N@@H+](C[C@]1(C)CCCNC1)C(C1CC1)C1CC1 ZINC000904313778 584863547 /nfs/dbraw/zinc/86/35/47/584863547.db2.gz JYVWPTJDBZFIAG-OAHLLOKOSA-N 1 3 236.403 2.497 20 0 BEADHO CCC(CC)(CO)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904329722 584865852 /nfs/dbraw/zinc/86/58/52/584865852.db2.gz RVBWKHLLHCOMIY-LBPRGKRZSA-N 1 3 244.423 2.281 20 0 BEADHO CC[C@@](C)(NC[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000904329201 584865874 /nfs/dbraw/zinc/86/58/74/584865874.db2.gz MNUVUDPCJBOIMI-JFGNBEQYSA-N 1 3 239.388 2.095 20 0 BEADHO CCC(CC)(CO)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904329721 584866017 /nfs/dbraw/zinc/86/60/17/584866017.db2.gz RVBWKHLLHCOMIY-GFCCVEGCSA-N 1 3 244.423 2.281 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CNC[C@]1(C)CCCO1 ZINC000904366853 584875024 /nfs/dbraw/zinc/87/50/24/584875024.db2.gz RHHCPNLTXWVXSW-OCCSQVGLSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@@H](CNC[C@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000904377394 584876356 /nfs/dbraw/zinc/87/63/56/584876356.db2.gz PTUHMDOGRZFEJC-DZGCQCFKSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccccn1 ZINC000904377394 584876357 /nfs/dbraw/zinc/87/63/57/584876357.db2.gz PTUHMDOGRZFEJC-DZGCQCFKSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@]1(CN2CC[C@@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376394 584876426 /nfs/dbraw/zinc/87/64/26/584876426.db2.gz QZXLEBZYUFDQND-VXGBXAGGSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@@]1(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CCCNC1 ZINC000904376394 584876427 /nfs/dbraw/zinc/87/64/27/584876427.db2.gz QZXLEBZYUFDQND-VXGBXAGGSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@@]1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CCCNC1 ZINC000904376394 584876428 /nfs/dbraw/zinc/87/64/28/584876428.db2.gz QZXLEBZYUFDQND-VXGBXAGGSA-N 1 3 244.329 2.107 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)c1 ZINC000817977470 584994121 /nfs/dbraw/zinc/99/41/21/584994121.db2.gz KTRWHKKLJSNFTQ-TUAOUCFPSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@H]1C[C@H](NCCNc2ccccc2)CC[N@@H+]1C ZINC000766514468 585503523 /nfs/dbraw/zinc/50/35/23/585503523.db2.gz GSTYXIIECQKTHW-DZGCQCFKSA-N 1 3 247.386 2.171 20 0 BEADHO C[C@H]1C[C@H](NCCNc2ccccc2)CC[N@H+]1C ZINC000766514468 585503524 /nfs/dbraw/zinc/50/35/24/585503524.db2.gz GSTYXIIECQKTHW-DZGCQCFKSA-N 1 3 247.386 2.171 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000782182455 585810217 /nfs/dbraw/zinc/81/02/17/585810217.db2.gz HDFFEUIWFGNBND-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000782182455 585810218 /nfs/dbraw/zinc/81/02/18/585810218.db2.gz HDFFEUIWFGNBND-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000782182455 585810219 /nfs/dbraw/zinc/81/02/19/585810219.db2.gz HDFFEUIWFGNBND-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000788471086 585925107 /nfs/dbraw/zinc/92/51/07/585925107.db2.gz UCTIPNKCMWTLIM-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000788471086 585925108 /nfs/dbraw/zinc/92/51/08/585925108.db2.gz UCTIPNKCMWTLIM-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO CN1CCC(C[N@@H+]2CCSC(C)(C)C2)CC1 ZINC000788483159 585925127 /nfs/dbraw/zinc/92/51/27/585925127.db2.gz SGUACKPGLLVNAT-UHFFFAOYSA-N 1 3 242.432 2.156 20 0 BEADHO CN1CCC(C[N@H+]2CCSC(C)(C)C2)CC1 ZINC000788483159 585925128 /nfs/dbraw/zinc/92/51/28/585925128.db2.gz SGUACKPGLLVNAT-UHFFFAOYSA-N 1 3 242.432 2.156 20 0 BEADHO CN(C)CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859560748 589045279 /nfs/dbraw/zinc/04/52/79/589045279.db2.gz AODPWVRZJMRPJJ-HNNXBMFYSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000817893532 586834257 /nfs/dbraw/zinc/83/42/57/586834257.db2.gz FMSLVYFCBGGEGV-QJPTWQEYSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)[C@H]1CCCN1)C(C)(C)C ZINC000817893532 586834260 /nfs/dbraw/zinc/83/42/60/586834260.db2.gz FMSLVYFCBGGEGV-QJPTWQEYSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCOC[C@H]1[C@H](C)N)C(C)(C)C ZINC000817893964 586834325 /nfs/dbraw/zinc/83/43/25/586834325.db2.gz JTOJKAKXRNSHFW-CYDGBPFRSA-N 1 3 242.407 2.011 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNc1ccccc1 ZINC000817899542 586835649 /nfs/dbraw/zinc/83/56/49/586835649.db2.gz GQFQAMYZRFGJSP-HIFRSBDPSA-N 1 3 247.386 2.206 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817899542 586835651 /nfs/dbraw/zinc/83/56/51/586835651.db2.gz GQFQAMYZRFGJSP-HIFRSBDPSA-N 1 3 247.386 2.206 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCSC(C)(C)C ZINC000817908944 586837533 /nfs/dbraw/zinc/83/75/33/586837533.db2.gz UKDGHBXVADHSHN-NXEZZACHSA-N 1 3 218.410 2.234 20 0 BEADHO CC[NH2+]CCCN[C@@H](C)CSC(C)(C)C ZINC000817944153 586841179 /nfs/dbraw/zinc/84/11/79/586841179.db2.gz YECACQKYXQQXDZ-NSHDSACASA-N 1 3 232.437 2.496 20 0 BEADHO Cc1cc(F)ccc1[C@H](C)NCCC[NH3+] ZINC000817938321 586843953 /nfs/dbraw/zinc/84/39/53/586843953.db2.gz JAEKKSLCROMUNR-JTQLQIEISA-N 1 3 210.296 2.134 20 0 BEADHO COc1cc(C)c([C@H](C)NCCC[NH3+])cc1C ZINC000817938987 586844011 /nfs/dbraw/zinc/84/40/11/586844011.db2.gz XCHNLCCFLYWMNI-LBPRGKRZSA-N 1 3 236.359 2.311 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]1(C)CC1(Cl)Cl ZINC000817937601 586844243 /nfs/dbraw/zinc/84/42/43/586844243.db2.gz SRHIGGCGZODMHT-DJLDLDEBSA-N 1 3 239.190 2.286 20 0 BEADHO C[C@@H](CSC(C)(C)C)NC[C@@H]1CCC[NH2+]C1 ZINC000817945540 586846245 /nfs/dbraw/zinc/84/62/45/586846245.db2.gz FWYQBJNSKOGRQD-NWDGAFQWSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000817945540 586846246 /nfs/dbraw/zinc/84/62/46/586846246.db2.gz FWYQBJNSKOGRQD-NWDGAFQWSA-N 1 3 244.448 2.496 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000817964492 586853747 /nfs/dbraw/zinc/85/37/47/586853747.db2.gz ANFFFPLARWZGJU-CABCVRRESA-N 1 3 230.355 2.309 20 0 BEADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000817965468 586854428 /nfs/dbraw/zinc/85/44/28/586854428.db2.gz QZLWXVHDBSOOSD-IAQYHMDHSA-N 1 3 248.370 2.473 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000817968534 586856490 /nfs/dbraw/zinc/85/64/90/586856490.db2.gz LFYQGQWUOMNFFM-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000817972117 586859637 /nfs/dbraw/zinc/85/96/37/586859637.db2.gz TWQVAQQSGIGASU-IJLUTSLNSA-N 1 3 244.448 2.494 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000817972117 586859640 /nfs/dbraw/zinc/85/96/40/586859640.db2.gz TWQVAQQSGIGASU-IJLUTSLNSA-N 1 3 244.448 2.494 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@@H](C)[C@@H](C)[NH3+] ZINC000817978011 586862245 /nfs/dbraw/zinc/86/22/45/586862245.db2.gz TVNAYRGQLURIHY-BBBLOLIVSA-N 1 3 218.410 2.232 20 0 BEADHO C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817984810 586862562 /nfs/dbraw/zinc/86/25/62/586862562.db2.gz AIYODOFAJSOFAU-HZSPNIEDSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000841048692 587940027 /nfs/dbraw/zinc/94/00/27/587940027.db2.gz KXMSDRQITRRFGF-NSHDSACASA-N 1 3 248.370 2.085 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cncc2ccccc21 ZINC000841072541 587944051 /nfs/dbraw/zinc/94/40/51/587944051.db2.gz PDZVGMJCCCQDGF-CYBMUJFWSA-N 1 3 229.327 2.062 20 0 BEADHO Cc1cc([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)no1 ZINC000842471442 588028359 /nfs/dbraw/zinc/02/83/59/588028359.db2.gz BJRKOSCIOVSKER-JSGCOSHPSA-N 1 3 249.358 2.120 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1cncs1 ZINC000843340361 588101021 /nfs/dbraw/zinc/10/10/21/588101021.db2.gz BMFXJLWITBFXJW-SNVBAGLBSA-N 1 3 227.377 2.313 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000843358332 588103577 /nfs/dbraw/zinc/10/35/77/588103577.db2.gz KYGNBVCLBFKWFG-BBRMVZONSA-N 1 3 244.382 2.085 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000843358334 588103926 /nfs/dbraw/zinc/10/39/26/588103926.db2.gz KYGNBVCLBFKWFG-CZUORRHYSA-N 1 3 244.382 2.085 20 0 BEADHO [NH3+]CCCCCCN1CCNCc2ccccc21 ZINC000846218523 588260929 /nfs/dbraw/zinc/26/09/29/588260929.db2.gz WQVOXRUMPBLRJS-UHFFFAOYSA-N 1 3 247.386 2.115 20 0 BEADHO C[C@@H]1CC2(CN1C/C=C/Cl)CC[NH2+]CC2 ZINC000846224464 588261556 /nfs/dbraw/zinc/26/15/56/588261556.db2.gz XSVZKOZBQZQQDA-XGQHYKRYSA-N 1 3 228.767 2.203 20 0 BEADHO Cc1cccc(NC(=[NH2+])NC[C@H](C)CN(C)C)c1 ZINC000849030738 588442904 /nfs/dbraw/zinc/44/29/04/588442904.db2.gz VXAZTGTWXSVOGN-LBPRGKRZSA-N 1 3 248.374 2.129 20 0 BEADHO CCC(C)(C)C[NH2+][C@H]1CCNC12CCC2 ZINC000863483087 589292727 /nfs/dbraw/zinc/29/27/27/589292727.db2.gz QSGLGPBWLLKRGQ-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO COCc1ccc(CNCCCCCC[NH3+])o1 ZINC000863642620 589307110 /nfs/dbraw/zinc/30/71/10/589307110.db2.gz SYUHUIRLSIBDIB-UHFFFAOYSA-N 1 3 240.347 2.035 20 0 BEADHO CCc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206195 589480131 /nfs/dbraw/zinc/48/01/31/589480131.db2.gz BYVAPYLYPSMFKE-IUODEOHRSA-N 1 3 245.370 2.174 20 0 BEADHO CCc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccn1 ZINC000866206195 589480132 /nfs/dbraw/zinc/48/01/32/589480132.db2.gz BYVAPYLYPSMFKE-IUODEOHRSA-N 1 3 245.370 2.174 20 0 BEADHO C(CC1CC1)CN(C1CC1)C1CC[NH2+]CC1 ZINC000866661640 589508896 /nfs/dbraw/zinc/50/88/96/589508896.db2.gz KFHYKOVYGLPYKD-UHFFFAOYSA-N 1 3 222.376 2.393 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCC(C)(C)CO1 ZINC000866665317 589509609 /nfs/dbraw/zinc/50/96/09/589509609.db2.gz BFYFCVDJUCDWQM-NWDGAFQWSA-N 1 3 242.407 2.155 20 0 BEADHO C[NH2+]CCCN1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146126 589885371 /nfs/dbraw/zinc/88/53/71/589885371.db2.gz GIIVXRYRJAOJME-INIZCTEOSA-N 1 3 244.382 2.186 20 0 BEADHO CC(C)(C)CC[NH2+][C@@]12CCC[C@H]1NCC2 ZINC000873232335 590002726 /nfs/dbraw/zinc/00/27/26/590002726.db2.gz WSSALVBCKZKCFE-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO c1nc(CN[C@@H]2CCCCC23CC[NH2+]CC3)co1 ZINC000873232895 590003645 /nfs/dbraw/zinc/00/36/45/590003645.db2.gz QHNLPYCTVMXAFM-CYBMUJFWSA-N 1 3 249.358 2.077 20 0 BEADHO C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236012 590004555 /nfs/dbraw/zinc/00/45/55/590004555.db2.gz VVGDQBFJZVXLSO-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000873254894 590010377 /nfs/dbraw/zinc/01/03/77/590010377.db2.gz AQPZWAMSRXHWQJ-GUBZILKMSA-N 1 3 240.297 2.353 20 0 BEADHO Cc1cc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)oc1C ZINC000873256108 590010693 /nfs/dbraw/zinc/01/06/93/590010693.db2.gz KJIHFODGPKADQG-DLOVCJGASA-N 1 3 222.332 2.284 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873256934 590011830 /nfs/dbraw/zinc/01/18/30/590011830.db2.gz RGQYXANCHZUFMZ-ATZCPNFKSA-N 1 3 240.297 2.353 20 0 BEADHO COCC(C)(C)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000873279830 590017376 /nfs/dbraw/zinc/01/73/76/590017376.db2.gz MHLSDMDNXYNZIY-QWHCGFSZSA-N 1 3 242.407 2.027 20 0 BEADHO C1=CC[C@@H](C[NH2+]CCCN2CCCC2)CC1 ZINC000020129169 590077553 /nfs/dbraw/zinc/07/75/53/590077553.db2.gz VWNOVTRBLICBHP-CQSZACIVSA-N 1 3 222.376 2.418 20 0 BEADHO C[N@@H+]1CC[C@H]2CN(CC3(C)CCC3)CC[C@@H]21 ZINC000877738386 590404955 /nfs/dbraw/zinc/40/49/55/590404955.db2.gz BIZNZLSLIKUGBS-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CC[C@H]2CN(CC3(C)CCC3)CC[C@@H]21 ZINC000877738386 590404958 /nfs/dbraw/zinc/40/49/58/590404958.db2.gz BIZNZLSLIKUGBS-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877740164 590406876 /nfs/dbraw/zinc/40/68/76/590406876.db2.gz IUCZJLMTGKADSU-STQMWFEESA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877740164 590406877 /nfs/dbraw/zinc/40/68/77/590406877.db2.gz IUCZJLMTGKADSU-STQMWFEESA-N 1 3 210.365 2.059 20 0 BEADHO c1cc(N2CCN(CCCC3CC3)CC2)cc[nH+]1 ZINC000878191543 590520388 /nfs/dbraw/zinc/52/03/88/590520388.db2.gz RHZZHNPRZHQILD-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO C[C@H]1C[N@H+](CC2CC2)CCN1c1ccncc1 ZINC000880262965 590980914 /nfs/dbraw/zinc/98/09/14/590980914.db2.gz UPELAKCIZJIEFA-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H]1C[N@@H+](CC2CC2)CCN1c1ccncc1 ZINC000880262965 590980916 /nfs/dbraw/zinc/98/09/16/590980916.db2.gz UPELAKCIZJIEFA-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H]1CN(CC2CC2)CCN1c1cc[nH+]cc1 ZINC000880262965 590980918 /nfs/dbraw/zinc/98/09/18/590980918.db2.gz UPELAKCIZJIEFA-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](CF)C1 ZINC000880298729 590993296 /nfs/dbraw/zinc/99/32/96/590993296.db2.gz JCLGAOYDOYBREA-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](CF)C1 ZINC000880298729 590993298 /nfs/dbraw/zinc/99/32/98/590993298.db2.gz JCLGAOYDOYBREA-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO CC1([NH+]2CCC2)CCN(CC2CCC2)CC1 ZINC000880472889 591053648 /nfs/dbraw/zinc/05/36/48/591053648.db2.gz HJPWIDDOIQSCTQ-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO Fc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128840495 591165682 /nfs/dbraw/zinc/16/56/82/591165682.db2.gz ILBDOZGYUNRNRH-CQSZACIVSA-N 1 3 236.334 2.100 20 0 BEADHO Fc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000128840495 591165684 /nfs/dbraw/zinc/16/56/84/591165684.db2.gz ILBDOZGYUNRNRH-CQSZACIVSA-N 1 3 236.334 2.100 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883416949 591652480 /nfs/dbraw/zinc/65/24/80/591652480.db2.gz JLQUAGUJSRAHJX-NWDGAFQWSA-N 1 3 246.345 2.353 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883416950 591653089 /nfs/dbraw/zinc/65/30/89/591653089.db2.gz JLQUAGUJSRAHJX-RYUDHWBXSA-N 1 3 246.345 2.353 20 0 BEADHO [NH3+]C[C@H]1CCCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883416014 591653263 /nfs/dbraw/zinc/65/32/63/591653263.db2.gz JWNBXQTZFQLHBA-NEPJUHHUSA-N 1 3 246.345 2.483 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883416016 591653274 /nfs/dbraw/zinc/65/32/74/591653274.db2.gz JWNBXQTZFQLHBA-RYUDHWBXSA-N 1 3 246.345 2.483 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CCC2(CCC2)O1 ZINC000883418832 591653958 /nfs/dbraw/zinc/65/39/58/591653958.db2.gz SZGPHRVQSRQGAZ-OLZOCXBDSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1C[C@@H](N)C[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438484 591659894 /nfs/dbraw/zinc/65/98/94/591659894.db2.gz UIVHTCINBGANIO-OUAUKWLOSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H]1C[C@@H](N)C[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438484 591659896 /nfs/dbraw/zinc/65/98/96/591659896.db2.gz UIVHTCINBGANIO-OUAUKWLOSA-N 1 3 232.318 2.233 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCCC(C)(C)O1 ZINC000883430425 591662323 /nfs/dbraw/zinc/66/23/23/591662323.db2.gz VEVRHXQGZUIWJW-NEPJUHHUSA-N 1 3 242.407 2.297 20 0 BEADHO CC1(C)[C@H](NC[C@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000883441865 591669796 /nfs/dbraw/zinc/66/97/96/591669796.db2.gz ZGHLAZBBZRREMI-GRYCIOLGSA-N 1 3 240.391 2.050 20 0 BEADHO CC1(C)[C@H]([NH2+]C[C@H]2CCCC(C)(C)O2)C[C@@H]1N ZINC000883441865 591669799 /nfs/dbraw/zinc/66/97/99/591669799.db2.gz ZGHLAZBBZRREMI-GRYCIOLGSA-N 1 3 240.391 2.050 20 0 BEADHO Cc1ccccc1OCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000883441985 591670076 /nfs/dbraw/zinc/67/00/76/591670076.db2.gz BSJZBCOKXWCMMZ-ZIAGYGMSSA-N 1 3 248.370 2.089 20 0 BEADHO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCN ZINC000883459540 591674722 /nfs/dbraw/zinc/67/47/22/591674722.db2.gz ALRGZYJKWRLORV-AWEZNQCLSA-N 1 3 218.344 2.346 20 0 BEADHO C[C@@]1(c2ccccc2)CCC[N@H+]1CCCN ZINC000883459540 591674723 /nfs/dbraw/zinc/67/47/23/591674723.db2.gz ALRGZYJKWRLORV-AWEZNQCLSA-N 1 3 218.344 2.346 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCOC2)c2ccccc21 ZINC000132029602 591684692 /nfs/dbraw/zinc/68/46/92/591684692.db2.gz YXMMVVYDQGMHBT-NILFDRSVSA-N 1 3 246.354 2.147 20 0 BEADHO CCC1(N2CCC2)CC[NH+](CCCF)CC1 ZINC000886713305 592309217 /nfs/dbraw/zinc/30/92/17/592309217.db2.gz YTPORRLVBUNXOI-UHFFFAOYSA-N 1 3 228.355 2.296 20 0 BEADHO C[C@H]1CC[N@H+](CCCN)[C@@H]1c1ccccc1 ZINC000886857791 592369808 /nfs/dbraw/zinc/36/98/08/592369808.db2.gz ADBFLKNMYIMBQP-JSGCOSHPSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H]1CC[N@@H+](CCCN)[C@@H]1c1ccccc1 ZINC000886857791 592369811 /nfs/dbraw/zinc/36/98/11/592369811.db2.gz ADBFLKNMYIMBQP-JSGCOSHPSA-N 1 3 218.344 2.418 20 0 BEADHO CCSCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870341 592375220 /nfs/dbraw/zinc/37/52/20/592375220.db2.gz WMBVOCPCBCELKP-CYBMUJFWSA-N 1 3 242.432 2.205 20 0 BEADHO CCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130509 592449385 /nfs/dbraw/zinc/44/93/85/592449385.db2.gz FRQWYKDCZUTZCX-GFCCVEGCSA-N 1 3 219.332 2.002 20 0 BEADHO CC(C)CCC[C@H](C)[N@H+](C)CCCN ZINC000380284523 993325864 /nfs/dbraw/zinc/32/58/64/993325864.db2.gz ZRFINZGOTPSJNS-LBPRGKRZSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)CCC[C@H](C)[N@@H+](C)CCCN ZINC000380284523 993325869 /nfs/dbraw/zinc/32/58/69/993325869.db2.gz ZRFINZGOTPSJNS-LBPRGKRZSA-N 1 3 200.370 2.482 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCNC12CCC2)CC(F)F ZINC000925707240 634393891 /nfs/dbraw/zinc/39/38/91/634393891.db2.gz DPHFRXGCKSDVOH-ZJUUUORDSA-N 1 3 232.318 2.152 20 0 BEADHO C1[C@@H]2CC[C@@H]([NH2+][C@H]3CCNC34CCC4)C[C@H]12 ZINC000925713490 634417586 /nfs/dbraw/zinc/41/75/86/634417586.db2.gz UDGLUPLZZVQYMY-RVMXOQNASA-N 1 3 220.360 2.049 20 0 BEADHO C/C=C/CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925720120 634458092 /nfs/dbraw/zinc/45/80/92/634458092.db2.gz WPZIOCUAPOHMQF-GWSUEFFPSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCNC23CCC3)C[C@H]2C[C@H]2C1 ZINC000925720579 634459766 /nfs/dbraw/zinc/45/97/66/634459766.db2.gz ZMWLQOYKTJHQTL-RQJABVFESA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(CC2CC2)CC1 ZINC000925733408 634580767 /nfs/dbraw/zinc/58/07/67/634580767.db2.gz IOJAWUNQCJVQOR-WCQYABFASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000925823010 635407089 /nfs/dbraw/zinc/40/70/89/635407089.db2.gz NNEVJDBMQBXZNT-QQOHENMQSA-N 1 3 222.376 2.138 20 0 BEADHO C[C@@H](N[C@@H]1CCS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861586 635556130 /nfs/dbraw/zinc/55/61/30/635556130.db2.gz QJQXRVLDKSDYJN-LPWJVIDDSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H](N[C@@H]1CCS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861590 635556895 /nfs/dbraw/zinc/55/68/95/635556895.db2.gz QJQXRVLDKSDYJN-XQHKEYJVSA-N 1 3 242.432 2.391 20 0 BEADHO CC[C@@H](NC[C@@H](COC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000925874938 635596702 /nfs/dbraw/zinc/59/67/02/635596702.db2.gz XPNMCEPOFMBRRC-MJBXVCDLSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000925874412 635596713 /nfs/dbraw/zinc/59/67/13/635596713.db2.gz RKCNJGZZEZPBHY-MGPQQGTHSA-N 1 3 242.407 2.025 20 0 BEADHO C1=CCCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925881001 635607865 /nfs/dbraw/zinc/60/78/65/635607865.db2.gz PJPMUJOBKYOXRL-ZVDSWSACSA-N 1 3 246.398 2.319 20 0 BEADHO CN1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@]2(C)C1 ZINC000933733132 631495104 /nfs/dbraw/zinc/49/51/04/631495104.db2.gz ALXUKEHIPUJAGX-OLZOCXBDSA-N 1 3 236.384 2.132 20 0 BEADHO CN1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@]2(C)C1 ZINC000933733132 631495109 /nfs/dbraw/zinc/49/51/09/631495109.db2.gz ALXUKEHIPUJAGX-OLZOCXBDSA-N 1 3 236.384 2.132 20 0 BEADHO CC[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219756040 632567329 /nfs/dbraw/zinc/56/73/29/632567329.db2.gz XBYYMBDUUDYABM-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219756040 632567336 /nfs/dbraw/zinc/56/73/36/632567336.db2.gz XBYYMBDUUDYABM-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccs1 ZINC000924557917 632840619 /nfs/dbraw/zinc/84/06/19/632840619.db2.gz VOQZATVHXDQHRA-QYJAPNMZSA-N 1 3 236.384 2.178 20 0 BEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccs1 ZINC000924557917 632840624 /nfs/dbraw/zinc/84/06/24/632840624.db2.gz VOQZATVHXDQHRA-QYJAPNMZSA-N 1 3 236.384 2.178 20 0 BEADHO CCOc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214538 636046087 /nfs/dbraw/zinc/04/60/87/636046087.db2.gz YGBASGVGNRNHMI-KGLIPLIRSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@@H](CC[NH2+]C1CC(CF)(CF)C1)N(C)C ZINC000895292239 636131643 /nfs/dbraw/zinc/13/16/43/636131643.db2.gz NVJDFJMHTBPHJT-JTQLQIEISA-N 1 3 234.334 2.004 20 0 BEADHO CC[C@H](C)[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328566135 633777000 /nfs/dbraw/zinc/77/70/00/633777000.db2.gz MKQBBMCWFBZSNM-WGSKYGEUSA-N 1 3 222.376 2.007 20 0 BEADHO C1CC2(C1)[NH2+]CC[C@@H]2N[C@H]1CC2CCC1CC2 ZINC000925675901 634263974 /nfs/dbraw/zinc/26/39/74/634263974.db2.gz HDWFSKYGQBKRSC-HOAMVYINSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000925675901 634263976 /nfs/dbraw/zinc/26/39/76/634263976.db2.gz HDWFSKYGQBKRSC-HOAMVYINSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC(C2(N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CCC2)C1 ZINC000925684376 634294637 /nfs/dbraw/zinc/29/46/37/634294637.db2.gz ALCCQQFBTWQFEM-WPTOEGHWSA-N 1 3 246.398 2.295 20 0 BEADHO CCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925783892 635296011 /nfs/dbraw/zinc/29/60/11/635296011.db2.gz LPLJWZMIXUOPPZ-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCOCC2)c2ccccc21 ZINC000261554996 635498518 /nfs/dbraw/zinc/49/85/18/635498518.db2.gz BEQSXUGPDHYSOC-GLQYFDAESA-N 1 3 246.354 2.290 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1 ZINC000089139600 636904973 /nfs/dbraw/zinc/90/49/73/636904973.db2.gz YXLYJNRXNWEPQH-GXTWGEPZSA-N 1 3 236.334 2.433 20 0 BEADHO CCCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000128497767 637080802 /nfs/dbraw/zinc/08/08/02/637080802.db2.gz RDKNWJWSIQYSGZ-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CSCC(C)(C)NC[C@H]([NH3+])CC(C)C ZINC000904476274 637425630 /nfs/dbraw/zinc/42/56/30/637425630.db2.gz PGGCPJKWAOYKRO-SNVBAGLBSA-N 1 3 218.410 2.091 20 0 BEADHO C([NH2+]C1(C2CCCCC2)CC1)C12CC(C1)CN2 ZINC000904473325 637426370 /nfs/dbraw/zinc/42/63/70/637426370.db2.gz QZCQJOHRUPRUKJ-UHFFFAOYSA-N 1 3 234.387 2.441 20 0 BEADHO NC1CC([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000906511067 638183849 /nfs/dbraw/zinc/18/38/49/638183849.db2.gz RTHCOXLWLZVHKK-JWMHWRSXSA-N 1 3 244.382 2.477 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H](N)C2)C1 ZINC000906517741 638186906 /nfs/dbraw/zinc/18/69/06/638186906.db2.gz OKGWCNLKCSITTF-YVECIDJPSA-N 1 3 210.365 2.282 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000906518920 638187692 /nfs/dbraw/zinc/18/76/92/638187692.db2.gz UXARPYILYBLTDX-XKNYDFJKSA-N 1 3 236.281 2.187 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000906518918 638187770 /nfs/dbraw/zinc/18/77/70/638187770.db2.gz UXARPYILYBLTDX-QEYWKRMJSA-N 1 3 236.281 2.187 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000906518843 638187838 /nfs/dbraw/zinc/18/78/38/638187838.db2.gz RTHCOXLWLZVHKK-KLHDSHLOSA-N 1 3 244.382 2.477 20 0 BEADHO C[C@H](CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1 ZINC000931279462 640131753 /nfs/dbraw/zinc/13/17/53/640131753.db2.gz JOSMSAJCDKPOOD-OJLVUWQFSA-N 1 3 244.382 2.282 20 0 BEADHO C[N@@H+]1C[C@@]2(C)CN(CC3=CCCC3)C[C@@]2(C)C1 ZINC000931318196 640156186 /nfs/dbraw/zinc/15/61/86/640156186.db2.gz SKECLPCYJSUJMG-GASCZTMLSA-N 1 3 234.387 2.370 20 0 BEADHO C[N@H+]1C[C@@]2(C)CN(CC3=CCCC3)C[C@@]2(C)C1 ZINC000931318196 640156190 /nfs/dbraw/zinc/15/61/90/640156190.db2.gz SKECLPCYJSUJMG-GASCZTMLSA-N 1 3 234.387 2.370 20 0 BEADHO C[NH+](C)C1(C)CCN(CCC2CC2)CC1 ZINC000931351241 640166921 /nfs/dbraw/zinc/16/69/21/640166921.db2.gz ILTPROQGUQPTNC-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)C1(C)CC[NH+](CCC2CC2)CC1 ZINC000931351241 640166926 /nfs/dbraw/zinc/16/69/26/640166926.db2.gz ILTPROQGUQPTNC-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H](C)C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931351301 640168093 /nfs/dbraw/zinc/16/80/93/640168093.db2.gz KQWHWQXNTQRKTN-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)CN1CCC(C)([NH+](C)C)CC1 ZINC000931351301 640168098 /nfs/dbraw/zinc/16/80/98/640168098.db2.gz KQWHWQXNTQRKTN-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)C[C@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435860 640202262 /nfs/dbraw/zinc/20/22/62/640202262.db2.gz DYCKRVVAAYYIBG-MELADBBJSA-N 1 3 224.392 2.305 20 0 BEADHO CC(C)C[C@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435860 640202265 /nfs/dbraw/zinc/20/22/65/640202265.db2.gz DYCKRVVAAYYIBG-MELADBBJSA-N 1 3 224.392 2.305 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439926 640206650 /nfs/dbraw/zinc/20/66/50/640206650.db2.gz YNZAYMWZQSUWNM-HZSPNIEDSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439926 640206653 /nfs/dbraw/zinc/20/66/53/640206653.db2.gz YNZAYMWZQSUWNM-HZSPNIEDSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439985 640206986 /nfs/dbraw/zinc/20/69/86/640206986.db2.gz RKVDPYZZOPBGED-VHDGCEQUSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439985 640206994 /nfs/dbraw/zinc/20/69/94/640206994.db2.gz RKVDPYZZOPBGED-VHDGCEQUSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000931683200 640312367 /nfs/dbraw/zinc/31/23/67/640312367.db2.gz HKVUHGNJNLWFCL-CHWSQXEVSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000931683200 640312371 /nfs/dbraw/zinc/31/23/71/640312371.db2.gz HKVUHGNJNLWFCL-CHWSQXEVSA-N 1 3 245.370 2.391 20 0 BEADHO Clc1ccc(CCNC2CC[NH2+]CC2)s1 ZINC000226354392 640750079 /nfs/dbraw/zinc/75/00/79/640750079.db2.gz QULVRCQZLWGSOP-UHFFFAOYSA-N 1 3 244.791 2.286 20 0 BEADHO Clc1ccc(CC[NH2+]C2CCNCC2)s1 ZINC000226354392 640750086 /nfs/dbraw/zinc/75/00/86/640750086.db2.gz QULVRCQZLWGSOP-UHFFFAOYSA-N 1 3 244.791 2.286 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000227117099 640815347 /nfs/dbraw/zinc/81/53/47/640815347.db2.gz RBKJUNLGYOPURY-XQQFMLRXSA-N 1 3 208.349 2.202 20 0 BEADHO Cc1ccsc1CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000087309918 640870796 /nfs/dbraw/zinc/87/07/96/640870796.db2.gz WSTYEXKECHQCEZ-MNOVXSKESA-N 1 3 224.373 2.002 20 0 BEADHO CC[C@H](C)C[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062861976 641100328 /nfs/dbraw/zinc/10/03/28/641100328.db2.gz QHCBIGODYLZGAA-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@H](C)C[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062861976 641100330 /nfs/dbraw/zinc/10/03/30/641100330.db2.gz QHCBIGODYLZGAA-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[N@H+](CC1CC1)C[C@]1(C)CCCNC1 ZINC000062862529 641101425 /nfs/dbraw/zinc/10/14/25/641101425.db2.gz WHPMSOYHYLGSEL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[N@@H+](CC1CC1)C[C@]1(C)CCCNC1 ZINC000062862529 641101427 /nfs/dbraw/zinc/10/14/27/641101427.db2.gz WHPMSOYHYLGSEL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CC[N@H+](CC2(C)CCC2)C[C@@H]1CN ZINC000261530999 641426859 /nfs/dbraw/zinc/42/68/59/641426859.db2.gz DVZQPQFMUGUBGV-RYUDHWBXSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CC2(C)CCC2)C[C@@H]1CN ZINC000261530999 641426863 /nfs/dbraw/zinc/42/68/63/641426863.db2.gz DVZQPQFMUGUBGV-RYUDHWBXSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@H+](CC2(C)CCC2)C[C@@H]1CN ZINC000261530997 641427373 /nfs/dbraw/zinc/42/73/73/641427373.db2.gz DVZQPQFMUGUBGV-NEPJUHHUSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2(C)CCC2)C[C@@H]1CN ZINC000261530997 641427376 /nfs/dbraw/zinc/42/73/76/641427376.db2.gz DVZQPQFMUGUBGV-NEPJUHHUSA-N 1 3 210.365 2.093 20 0 BEADHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089139322 641464325 /nfs/dbraw/zinc/46/43/25/641464325.db2.gz QWIFDXBIIXHNKU-HIFRSBDPSA-N 1 3 248.370 2.302 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925472174 642392326 /nfs/dbraw/zinc/39/23/26/642392326.db2.gz AYURWSFHGMQMMW-NMFUWQPSSA-N 1 3 236.403 2.400 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000093066491 642454861 /nfs/dbraw/zinc/45/48/61/642454861.db2.gz KBXRDTDIEWVEPK-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCC1 ZINC000233027354 642646614 /nfs/dbraw/zinc/64/66/14/642646614.db2.gz WEZYVDQDMLRODJ-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO CCCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000233035542 642647170 /nfs/dbraw/zinc/64/71/70/642647170.db2.gz IWCWAIAYNGSNEK-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCC1 ZINC000233089549 642652138 /nfs/dbraw/zinc/65/21/38/642652138.db2.gz RNHBYXAFBASJEN-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO C[N@H+](CCCNC1CC1)CC1CCCC1 ZINC000082492324 643326687 /nfs/dbraw/zinc/32/66/87/643326687.db2.gz AATVMDMTQDKJFW-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](CCCNC1CC1)CC1CCCC1 ZINC000082492324 643326693 /nfs/dbraw/zinc/32/66/93/643326693.db2.gz AATVMDMTQDKJFW-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000084221224 643651342 /nfs/dbraw/zinc/65/13/42/643651342.db2.gz NOGGAAPXNSETRA-AVGNSLFASA-N 1 3 208.349 2.060 20 0 BEADHO [NH3+]C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000050249968 643663936 /nfs/dbraw/zinc/66/39/36/643663936.db2.gz ZYEJQNJGRANOMI-LLVKDONJSA-N 1 3 227.311 2.020 20 0 BEADHO C[N@H+](CCc1cccs1)CC(C)(C)CN ZINC000086441664 644136531 /nfs/dbraw/zinc/13/65/31/644136531.db2.gz YMXMMLGOVHXMAI-UHFFFAOYSA-N 1 3 226.389 2.207 20 0 BEADHO C[N@@H+](CCc1cccs1)CC(C)(C)CN ZINC000086441664 644136533 /nfs/dbraw/zinc/13/65/33/644136533.db2.gz YMXMMLGOVHXMAI-UHFFFAOYSA-N 1 3 226.389 2.207 20 0 BEADHO CCC1CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000086728863 644171601 /nfs/dbraw/zinc/17/16/01/644171601.db2.gz OXLWLHIGXRSNPU-WXRRBKDZSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)CC[C@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000923298990 644326258 /nfs/dbraw/zinc/32/62/58/644326258.db2.gz VWERRYRLOORYNW-UONOGXRCSA-N 1 3 244.423 2.089 20 0 BEADHO C[C@H](C1CC1)[N@H+](CCCNC1CC1)C1CC1 ZINC000923305249 644342084 /nfs/dbraw/zinc/34/20/84/644342084.db2.gz LOLBATYFJSXILX-LLVKDONJSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H](C1CC1)[N@@H+](CCCNC1CC1)C1CC1 ZINC000923305249 644342093 /nfs/dbraw/zinc/34/20/93/644342093.db2.gz LOLBATYFJSXILX-LLVKDONJSA-N 1 3 222.376 2.391 20 0 BEADHO COC1CCC([N@H+](C)CCCNC2CC2)CC1 ZINC000923315825 644344049 /nfs/dbraw/zinc/34/40/49/644344049.db2.gz MTLZGANXDFWEQH-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO COC1CCC([N@@H+](C)CCCNC2CC2)CC1 ZINC000923315825 644344057 /nfs/dbraw/zinc/34/40/57/644344057.db2.gz MTLZGANXDFWEQH-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2cccc(F)c2)C1 ZINC000923333053 644353884 /nfs/dbraw/zinc/35/38/84/644353884.db2.gz SWWDHBFOGNKJMD-DGCLKSJQSA-N 1 3 236.334 2.037 20 0 BEADHO CCCCCC[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923383829 644397085 /nfs/dbraw/zinc/39/70/85/644397085.db2.gz MUDBCVAFYHMWNE-MGPQQGTHSA-N 1 3 242.407 2.177 20 0 BEADHO CCCCCC[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000923392205 644398158 /nfs/dbraw/zinc/39/81/58/644398158.db2.gz IIOZYAKZXCMRGU-RDBSUJKOSA-N 1 3 242.407 2.129 20 0 BEADHO C[N@H+](CCCNC1CC1)C[C@@H]1CC1(C)C ZINC000923398518 644404856 /nfs/dbraw/zinc/40/48/56/644404856.db2.gz UXQVMMLZWPDKBU-NSHDSACASA-N 1 3 210.365 2.106 20 0 BEADHO C[N@@H+](CCCNC1CC1)C[C@@H]1CC1(C)C ZINC000923398518 644404864 /nfs/dbraw/zinc/40/48/64/644404864.db2.gz UXQVMMLZWPDKBU-NSHDSACASA-N 1 3 210.365 2.106 20 0 BEADHO CN(CCC[NH2+]C1CC1)C[C@@H]1CC1(C)C ZINC000923398518 644404870 /nfs/dbraw/zinc/40/48/70/644404870.db2.gz UXQVMMLZWPDKBU-NSHDSACASA-N 1 3 210.365 2.106 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000084218723 644419635 /nfs/dbraw/zinc/41/96/35/644419635.db2.gz HAWQQMUODBFYJD-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000084218720 644420595 /nfs/dbraw/zinc/42/05/95/644420595.db2.gz HAWQQMUODBFYJD-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000084219979 644420654 /nfs/dbraw/zinc/42/06/54/644420654.db2.gz SXANWZHUBKQYQH-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO CC[C@@H]1CN(CCc2cccs2)CC[C@H]1[NH3+] ZINC000251572966 644810735 /nfs/dbraw/zinc/81/07/35/644810735.db2.gz BYLXOVIVYIJYOQ-DGCLKSJQSA-N 1 3 238.400 2.350 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754390 644900251 /nfs/dbraw/zinc/90/02/51/644900251.db2.gz BBLMGAFLDVWLFC-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754390 644900256 /nfs/dbraw/zinc/90/02/56/644900256.db2.gz BBLMGAFLDVWLFC-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252787537 644906496 /nfs/dbraw/zinc/90/64/96/644906496.db2.gz BBEPVTJNTYGMKM-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817980449 644992690 /nfs/dbraw/zinc/99/26/90/644992690.db2.gz VCVIKZDAGPSJRH-KBPBESRZSA-N 1 3 248.370 2.400 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000817980454 644994815 /nfs/dbraw/zinc/99/48/15/644994815.db2.gz VCVIKZDAGPSJRH-ZIAGYGMSSA-N 1 3 248.370 2.400 20 0 BEADHO CC1CC(CN2CCC([NH+](C)C)CC2)C1 ZINC000929264021 646045531 /nfs/dbraw/zinc/04/55/31/646045531.db2.gz PYHJUFXYJPNTPP-UHFFFAOYSA-N 1 3 210.365 2.059 20 0 BEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(F)c1 ZINC000924610019 646076780 /nfs/dbraw/zinc/07/67/80/646076780.db2.gz OLBPRJYJFRQJTO-NNQSOWQGSA-N 1 3 248.345 2.256 20 0 BEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1cccc(F)c1 ZINC000924610019 646076788 /nfs/dbraw/zinc/07/67/88/646076788.db2.gz OLBPRJYJFRQJTO-NNQSOWQGSA-N 1 3 248.345 2.256 20 0 BEADHO CSCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925501791 646303665 /nfs/dbraw/zinc/30/36/65/646303665.db2.gz CATFKPUCQAAHJL-QWHCGFSZSA-N 1 3 242.432 2.107 20 0 BEADHO CSCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925505855 646305739 /nfs/dbraw/zinc/30/57/39/646305739.db2.gz UEDLBMGMXLDDSO-WOPDTQHZSA-N 1 3 242.432 2.106 20 0 BEADHO C1CC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925593394 646350682 /nfs/dbraw/zinc/35/06/82/646350682.db2.gz GGQBTUVBDVPIED-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C12CCC(CC1)C2 ZINC000925624985 646371924 /nfs/dbraw/zinc/37/19/24/646371924.db2.gz FJRBIPFOJONXDT-HPEWVIAJSA-N 1 3 246.398 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925656159 646393658 /nfs/dbraw/zinc/39/36/58/646393658.db2.gz VZBBZGHBNMTJBB-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C1CC12C[C@@H]2[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925703478 646427227 /nfs/dbraw/zinc/42/72/27/646427227.db2.gz GEJBGHPKNCCJOV-IHRRRGAJSA-N 1 3 234.387 2.297 20 0 BEADHO CC1(C)[C@@H](NCC2=CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925707040 646430847 /nfs/dbraw/zinc/43/08/47/646430847.db2.gz MZHTXAUPCVVPGU-RDBSUJKOSA-N 1 3 234.387 2.463 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCNC23CCC3)C[C@H]2C[C@H]2C1 ZINC000925720578 646446770 /nfs/dbraw/zinc/44/67/70/646446770.db2.gz ZMWLQOYKTJHQTL-RFQIPJPRSA-N 1 3 234.387 2.297 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)CC(F)F ZINC000925735363 646454843 /nfs/dbraw/zinc/45/48/43/646454843.db2.gz ZMIVAINKEQEYGS-VHSXEESVSA-N 1 3 234.334 2.385 20 0 BEADHO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000925782228 646480011 /nfs/dbraw/zinc/48/00/11/646480011.db2.gz ITYCLHHQZYSIEA-QNWHQSFQSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCc2ccccc21 ZINC000925790907 646484361 /nfs/dbraw/zinc/48/43/61/646484361.db2.gz MZOQLMTZPAQCJR-OSAQELSMSA-N 1 3 230.355 2.119 20 0 BEADHO c1ccc(C2(CC[NH2+]C3CCNCC3)CC2)cc1 ZINC000925805466 646488662 /nfs/dbraw/zinc/48/86/62/646488662.db2.gz SYGJXNOFOZKRSN-UHFFFAOYSA-N 1 3 244.382 2.450 20 0 BEADHO COC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)C(C)C ZINC000925875112 646525674 /nfs/dbraw/zinc/52/56/74/646525674.db2.gz ZRAWAQILYCUPEK-RDBSUJKOSA-N 1 3 242.407 2.012 20 0 BEADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](C)CN(C)C ZINC000926473699 646653634 /nfs/dbraw/zinc/65/36/34/646653634.db2.gz NFBPHRKEVWFKTC-MGPQQGTHSA-N 1 3 244.423 2.103 20 0 BEADHO C[C@@H]1CCCC[N@H+](CCCNC2CC2)C1 ZINC000703659606 712083097 /nfs/dbraw/zinc/08/30/97/712083097.db2.gz BAQDEUCIOQZFBR-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[N@@H+](CCCNC2CC2)C1 ZINC000703659606 712083101 /nfs/dbraw/zinc/08/31/01/712083101.db2.gz BAQDEUCIOQZFBR-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO CSC1CC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000706929184 712161462 /nfs/dbraw/zinc/16/14/62/712161462.db2.gz OTPLVKLXKORXCO-TYUFSLCMSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000706929184 712161463 /nfs/dbraw/zinc/16/14/63/712161463.db2.gz OTPLVKLXKORXCO-TYUFSLCMSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H](CN1CC2CC1(C[NH3+])C2)CC(C)(C)C ZINC000709095353 712208701 /nfs/dbraw/zinc/20/87/01/712208701.db2.gz KVVRLQFSKIAHCE-LKSINWNRSA-N 1 3 224.392 2.482 20 0 BEADHO C=C/C=C\CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713731292 712470713 /nfs/dbraw/zinc/47/07/13/712470713.db2.gz FDRSGQFQADQSIX-CEMVGMONSA-N 1 3 220.360 2.334 20 0 BEADHO CC1(C)C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1N ZINC000714351299 712483541 /nfs/dbraw/zinc/48/35/41/712483541.db2.gz YRIDXYSOIDXIMO-NEPJUHHUSA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1N ZINC000714351299 712483543 /nfs/dbraw/zinc/48/35/43/712483543.db2.gz YRIDXYSOIDXIMO-NEPJUHHUSA-N 1 3 240.391 2.003 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000718845830 712786031 /nfs/dbraw/zinc/78/60/31/712786031.db2.gz XJVJNUBIDHMDND-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1nccs1 ZINC000722511596 710714621 /nfs/dbraw/zinc/71/46/21/710714621.db2.gz AMDGGJCIRNBFRE-GMTAPVOTSA-N 1 3 239.388 2.039 20 0 BEADHO C[N@H+](CCCN)C[C@H]1CC2CCC1CC2 ZINC000382055188 710770130 /nfs/dbraw/zinc/77/01/30/710770130.db2.gz GRJXINBOFFJJAH-WXRRBKDZSA-N 1 3 210.365 2.093 20 0 BEADHO C[N@@H+](CCCN)C[C@H]1CC2CCC1CC2 ZINC000382055188 710770135 /nfs/dbraw/zinc/77/01/35/710770135.db2.gz GRJXINBOFFJJAH-WXRRBKDZSA-N 1 3 210.365 2.093 20 0 BEADHO CC1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000385514713 711014354 /nfs/dbraw/zinc/01/43/54/711014354.db2.gz NXSGCMTXMTUIAX-KNFZOUACSA-N 1 3 248.414 2.399 20 0 BEADHO C[C@@H]1CCSCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000385583959 711014776 /nfs/dbraw/zinc/01/47/76/711014776.db2.gz XYKQVEMFCLBLRE-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CCSCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000385583959 711014777 /nfs/dbraw/zinc/01/47/77/711014777.db2.gz XYKQVEMFCLBLRE-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CCSCCN1C[C@]1(C)CCC[NH2+]C1 ZINC000385583959 711014780 /nfs/dbraw/zinc/01/47/80/711014780.db2.gz XYKQVEMFCLBLRE-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CC(F)(F)CCC[NH2+][C@H]1CCNCC1(C)C ZINC000390080275 711104382 /nfs/dbraw/zinc/10/43/82/711104382.db2.gz BFQXENSNLULCOM-JTQLQIEISA-N 1 3 234.334 2.400 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)CN1CCCCC1 ZINC000390459377 711118986 /nfs/dbraw/zinc/11/89/86/711118986.db2.gz BLSZFNDEDZPRQJ-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CC1(C)CCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392859073 711153317 /nfs/dbraw/zinc/15/33/17/711153317.db2.gz DGEDSFVGFFMQPT-VZKILSJISA-N 1 3 234.387 2.151 20 0 BEADHO CCc1ccccc1C[NH2+][C@H]1CCCN[C@H]1C ZINC000396567805 711354453 /nfs/dbraw/zinc/35/44/53/711354453.db2.gz WLGMVDJZOVRJFG-WFASDCNBSA-N 1 3 232.371 2.479 20 0 BEADHO CC[C@]1(C)CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000399452879 711430997 /nfs/dbraw/zinc/43/09/97/711430997.db2.gz IVVJIJRYMFYLDA-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@]1(C)CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000399452879 711430999 /nfs/dbraw/zinc/43/09/99/711430999.db2.gz IVVJIJRYMFYLDA-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CNc1ccc(C)cc1C[NH2+][C@H](C)CCN(C)C ZINC000902132449 710879699 /nfs/dbraw/zinc/87/96/99/710879699.db2.gz LBTJQNHNIQPSNT-CYBMUJFWSA-N 1 3 249.402 2.467 20 0 BEADHO CC(C)(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC1 ZINC000384907155 711000074 /nfs/dbraw/zinc/00/00/74/711000074.db2.gz ATNNNEBCJHKCGC-WPTOEGHWSA-N 1 3 248.414 2.399 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386552788 711032746 /nfs/dbraw/zinc/03/27/46/711032746.db2.gz HGUTYKXJBXOMLM-RVMXOQNASA-N 1 3 242.432 2.391 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CCCC1CC1 ZINC000394502773 711194121 /nfs/dbraw/zinc/19/41/21/711194121.db2.gz RPYVCTHWZWBEFJ-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CCCC1CC1 ZINC000394502773 711194122 /nfs/dbraw/zinc/19/41/22/711194122.db2.gz RPYVCTHWZWBEFJ-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO Cc1csc(C[NH2+][C@H]2CCCN[C@H]2C)c1 ZINC000396645284 711363770 /nfs/dbraw/zinc/36/37/70/711363770.db2.gz BZANCNPZBDXXJZ-JQWIXIFHSA-N 1 3 224.373 2.287 20 0 BEADHO C[C@H]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000383185659 711457493 /nfs/dbraw/zinc/45/74/93/711457493.db2.gz QSOQZMLDXXMURQ-YQFOFLOKSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)CN(C)C ZINC000382229750 711643402 /nfs/dbraw/zinc/64/34/02/711643402.db2.gz GTHQVJKOIQDLBG-ABXWRUBCSA-N 1 3 224.392 2.352 20 0 BEADHO CCC1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000383102742 711668087 /nfs/dbraw/zinc/66/80/87/711668087.db2.gz CFQFWTULDQOANB-MEBFFEOJSA-N 1 3 234.387 2.153 20 0 BEADHO COC[C@@H](C[N@@H+]1CCCC[C@@H]1CCN)C(C)C ZINC000721959270 711694972 /nfs/dbraw/zinc/69/49/72/711694972.db2.gz HGMRSTZDTFIJAJ-ZIAGYGMSSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@@H](C[N@H+]1CCCC[C@@H]1CCN)C(C)C ZINC000721959270 711694974 /nfs/dbraw/zinc/69/49/74/711694974.db2.gz HGMRSTZDTFIJAJ-ZIAGYGMSSA-N 1 3 242.407 2.108 20 0 BEADHO Cc1ccsc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229065729 711837270 /nfs/dbraw/zinc/83/72/70/711837270.db2.gz DSFLDCQYYBKWSA-JQWIXIFHSA-N 1 3 238.400 2.473 20 0 BEADHO CC(C)[NH+]1CCC(N[C@@H]2C=CCC2)CC1 ZINC000700503907 711995555 /nfs/dbraw/zinc/99/55/55/711995555.db2.gz XAIFLVRXUNWXEY-GFCCVEGCSA-N 1 3 208.349 2.167 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)CC1CCC1)N(C)C ZINC000700456702 711995873 /nfs/dbraw/zinc/99/58/73/711995873.db2.gz WVQKSVYDLCIKBS-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCOC2(CCC2)C1)N(C)C ZINC000700604732 712001100 /nfs/dbraw/zinc/00/11/00/712001100.db2.gz DSSNQQFXIJRZNK-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700799734 712005601 /nfs/dbraw/zinc/00/56/01/712005601.db2.gz LLUCWCFAKHKZPA-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)C1(Cl)CC1 ZINC000702253503 712041874 /nfs/dbraw/zinc/04/18/74/712041874.db2.gz AEKLUQZNDFZDEC-QWRGUYRKSA-N 1 3 230.783 2.078 20 0 BEADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253503 712041875 /nfs/dbraw/zinc/04/18/75/712041875.db2.gz AEKLUQZNDFZDEC-QWRGUYRKSA-N 1 3 230.783 2.078 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704797965 712117803 /nfs/dbraw/zinc/11/78/03/712117803.db2.gz OHMRMFJRKQRKCX-RWMBFGLXSA-N 1 3 242.432 2.237 20 0 BEADHO CSC1CC(NCCC[N@H+](C)C(C)C)C1 ZINC000706918590 712158388 /nfs/dbraw/zinc/15/83/88/712158388.db2.gz QCYPYLIJTHDWNN-UHFFFAOYSA-N 1 3 230.421 2.200 20 0 BEADHO CSC1CC(NCCC[N@@H+](C)C(C)C)C1 ZINC000706918590 712158389 /nfs/dbraw/zinc/15/83/89/712158389.db2.gz QCYPYLIJTHDWNN-UHFFFAOYSA-N 1 3 230.421 2.200 20 0 BEADHO CSC1CC([NH2+]CCCN(C)C(C)C)C1 ZINC000706918590 712158390 /nfs/dbraw/zinc/15/83/90/712158390.db2.gz QCYPYLIJTHDWNN-UHFFFAOYSA-N 1 3 230.421 2.200 20 0 BEADHO CC[N@H+](C[C@]1(C)CCCNC1)C1CCC1 ZINC000706892300 712159478 /nfs/dbraw/zinc/15/94/78/712159478.db2.gz APIJSGKVFJJUJP-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC[N@@H+](C[C@]1(C)CCCNC1)C1CCC1 ZINC000706892300 712159481 /nfs/dbraw/zinc/15/94/81/712159481.db2.gz APIJSGKVFJJUJP-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329101 712187240 /nfs/dbraw/zinc/18/72/40/712187240.db2.gz BFSIWOOYAHDVDE-XQQFMLRXSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329101 712187242 /nfs/dbraw/zinc/18/72/42/712187242.db2.gz BFSIWOOYAHDVDE-XQQFMLRXSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](CN1CC2CC1(C[NH3+])C2)CC(C)(C)C ZINC000709095350 712208684 /nfs/dbraw/zinc/20/86/84/712208684.db2.gz KVVRLQFSKIAHCE-DCBWTQNWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](CN)C1)CC(C)(C)C ZINC000709120942 712209217 /nfs/dbraw/zinc/20/92/17/712209217.db2.gz BADAMCPPXGMCIS-NWDGAFQWSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](CN)C1)CC(C)(C)C ZINC000709120942 712209216 /nfs/dbraw/zinc/20/92/16/712209216.db2.gz BADAMCPPXGMCIS-NWDGAFQWSA-N 1 3 212.381 2.339 20 0 BEADHO CC[C@H](C)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709793951 712227582 /nfs/dbraw/zinc/22/75/82/712227582.db2.gz LXPXVKPHNYVQSO-IVZWLZJFSA-N 1 3 238.297 2.102 20 0 BEADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709893796 712230991 /nfs/dbraw/zinc/23/09/91/712230991.db2.gz VAUDDRZCPDJDIT-WCVJEAGWSA-N 1 3 248.414 2.498 20 0 BEADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709893796 712230994 /nfs/dbraw/zinc/23/09/94/712230994.db2.gz VAUDDRZCPDJDIT-WCVJEAGWSA-N 1 3 248.414 2.498 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C=CCC1 ZINC000711670438 712315886 /nfs/dbraw/zinc/31/58/86/712315886.db2.gz VGTOVEJDAHSAHF-RWMBFGLXSA-N 1 3 208.349 2.060 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000379780123 712398851 /nfs/dbraw/zinc/39/88/51/712398851.db2.gz BVGPYLXRIIYPNG-FRRDWIJNSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)CC[C@H]1[NH3+] ZINC000714368283 712483760 /nfs/dbraw/zinc/48/37/60/712483760.db2.gz LXBMOZOZVGYZEX-JHJVBQTASA-N 1 3 240.391 2.003 20 0 BEADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000714920244 712500035 /nfs/dbraw/zinc/50/00/35/712500035.db2.gz MUVCARPJCXKQSI-QLFBSQMISA-N 1 3 234.387 2.108 20 0 BEADHO CC[C@](C)(C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)OC ZINC000715543931 712527238 /nfs/dbraw/zinc/52/72/38/712527238.db2.gz OSFVEERIKZPQLK-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000716630912 712568226 /nfs/dbraw/zinc/56/82/26/712568226.db2.gz ATAGNTRXLCHCLL-LACSLYJWSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC1 ZINC000384907153 712704529 /nfs/dbraw/zinc/70/45/29/712704529.db2.gz ATNNNEBCJHKCGC-RCZQDCHWSA-N 1 3 248.414 2.399 20 0 BEADHO CC(F)(F)CCCN1CC[C@](C)(C[NH3+])C1 ZINC000718572611 712774798 /nfs/dbraw/zinc/77/47/98/712774798.db2.gz SAEYZXRXVULJLY-SNVBAGLBSA-N 1 3 220.307 2.093 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCC(C)(F)F)C1 ZINC000718710776 712777736 /nfs/dbraw/zinc/77/77/36/712777736.db2.gz XXMGTYVCLJURJV-MNOVXSKESA-N 1 3 234.334 2.481 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCSC1)CN1CCCCC1 ZINC000038041652 712801101 /nfs/dbraw/zinc/80/11/01/712801101.db2.gz GIKKLCGTDAZDLJ-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H](CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000720826193 712868993 /nfs/dbraw/zinc/86/89/93/712868993.db2.gz CTBGCOUXGJEDIO-CWRNSKLLSA-N 1 3 244.382 2.331 20 0 BEADHO [NH3+]C[C@@H]1CN(CC2CC=CC2)C[C@H]1C(F)(F)F ZINC000720878441 712872857 /nfs/dbraw/zinc/87/28/57/712872857.db2.gz SRFYJVGKYQQGQN-GHMZBOCLSA-N 1 3 248.292 2.022 20 0 BEADHO C[C@@H]1CN(C)[C@@H](C)CN1c1[nH+]ccc2[nH]ccc21 ZINC000663763902 719156773 /nfs/dbraw/zinc/15/67/73/719156773.db2.gz ITUMRTUHPBBCCF-WDEREUQCSA-N 1 3 244.342 2.092 20 0 BEADHO C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)[C@@H](C)CN1C ZINC000663763899 719155832 /nfs/dbraw/zinc/15/58/32/719155832.db2.gz ITUMRTUHPBBCCF-MNOVXSKESA-N 1 3 244.342 2.092 20 0 BEADHO C[C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)[C@@H](C)CN1C ZINC001164633107 719162976 /nfs/dbraw/zinc/16/29/76/719162976.db2.gz GQCPUZRVXALSJZ-MNOVXSKESA-N 1 3 244.342 2.092 20 0 BEADHO C[NH+](C)[C@@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000647866491 721886328 /nfs/dbraw/zinc/88/63/28/721886328.db2.gz XBHJNCCYRJONFW-LLVKDONJSA-N 1 3 244.342 2.093 20 0 BEADHO C1CNC[C@@H]([NH+]2C3CCCC2CCC3)C1 ZINC000707100359 958374782 /nfs/dbraw/zinc/37/47/82/958374782.db2.gz OKPZPRLQKXXDJS-BPCQOVAHSA-N 1 3 208.349 2.145 20 0 BEADHO CC(C)CCC[N@@H+]1CCCC[C@H](CN)C1 ZINC000308885272 959534927 /nfs/dbraw/zinc/53/49/27/959534927.db2.gz WQMLDPACRUZCBQ-CYBMUJFWSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)CCC[N@H+]1CCCC[C@H](CN)C1 ZINC000308885272 959534944 /nfs/dbraw/zinc/53/49/44/959534944.db2.gz WQMLDPACRUZCBQ-CYBMUJFWSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccccc1Cl ZINC000309276424 959824233 /nfs/dbraw/zinc/82/42/33/959824233.db2.gz DVGGTMLYSYYFHR-GHMZBOCLSA-N 1 3 240.778 2.455 20 0 BEADHO Cc1nc2ccc(NCC(C)(C)[NH3+])cc2[nH]1 ZINC000258776305 975007384 /nfs/dbraw/zinc/00/73/84/975007384.db2.gz IDCUSZZWHSJNRL-UHFFFAOYSA-N 1 3 218.304 2.021 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1(Cl)CC1 ZINC000695648053 960322245 /nfs/dbraw/zinc/32/22/45/960322245.db2.gz LLFLZXYGKFNQBW-YEJSDXFRSA-N 1 3 242.794 2.361 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(Cl)CC1 ZINC000695648053 960322257 /nfs/dbraw/zinc/32/22/57/960322257.db2.gz LLFLZXYGKFNQBW-YEJSDXFRSA-N 1 3 242.794 2.361 20 0 BEADHO CCCCN(C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168075749 963614671 /nfs/dbraw/zinc/61/46/71/963614671.db2.gz QNFXQWAFPUFXMK-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1CCC1 ZINC000697824827 964543586 /nfs/dbraw/zinc/54/35/86/964543586.db2.gz MGNANTMEDBIDTH-WCQYABFASA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCCC1(C)C)N(C)C ZINC000697877971 964603289 /nfs/dbraw/zinc/60/32/89/964603289.db2.gz GMVAESHAZPAGQG-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)[N@H+](CCCCCO)[C@@H]1CCCNCC1 ZINC001206582909 968394281 /nfs/dbraw/zinc/39/42/81/968394281.db2.gz PUALVPGVHMKOIW-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO CC(C)[N@@H+](CCCCCO)[C@@H]1CCCNCC1 ZINC001206582909 968394290 /nfs/dbraw/zinc/39/42/90/968394290.db2.gz PUALVPGVHMKOIW-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@H](C)[N@H+](C)C[C@@H](CN)C(C)C ZINC000083607070 1166113955 /nfs/dbraw/zinc/11/39/55/1166113955.db2.gz RLLBTDJMDAJQOX-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CCC[C@H](C)[N@@H+](C)C[C@@H](CN)C(C)C ZINC000083607070 1166113960 /nfs/dbraw/zinc/11/39/60/1166113960.db2.gz RLLBTDJMDAJQOX-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)(C)c1ccc(CCNCC[NH3+])cc1 ZINC000258675749 1166208743 /nfs/dbraw/zinc/20/87/43/1166208743.db2.gz DHDFDNPNWBWPAC-UHFFFAOYSA-N 1 3 220.360 2.075 20 0 BEADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCCCCC1 ZINC001253384544 969148759 /nfs/dbraw/zinc/14/87/59/969148759.db2.gz YBNKUHKOQJBEDF-ZDUSSCGKSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@@H]1[C@H](C)C[N@H+](CCCNC2CC2)[C@H]1C ZINC000399667440 1166250452 /nfs/dbraw/zinc/25/04/52/1166250452.db2.gz MRNMZDUNXGKPEF-UTUOFQBUSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1[C@H](C)C[N@@H+](CCCNC2CC2)[C@H]1C ZINC000399667440 1166250458 /nfs/dbraw/zinc/25/04/58/1166250458.db2.gz MRNMZDUNXGKPEF-UTUOFQBUSA-N 1 3 210.365 2.105 20 0 BEADHO CO[C@@H]1CCC[C@@H]([N@H+](CCCN)C(C)C)C1 ZINC000226539036 1166288595 /nfs/dbraw/zinc/28/85/95/1166288595.db2.gz FCPFWIUHKPLWFT-CHWSQXEVSA-N 1 3 228.380 2.003 20 0 BEADHO CO[C@@H]1CCC[C@@H]([N@@H+](CCCN)C(C)C)C1 ZINC000226539036 1166288601 /nfs/dbraw/zinc/28/86/01/1166288601.db2.gz FCPFWIUHKPLWFT-CHWSQXEVSA-N 1 3 228.380 2.003 20 0 BEADHO FC(F)(F)CCC[NH2+]CCCN1CCCC1 ZINC000148483623 1166319684 /nfs/dbraw/zinc/31/96/84/1166319684.db2.gz LVXNNDFJARHTPB-UHFFFAOYSA-N 1 3 238.297 2.404 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@H](C)C[C@@H](N)C1 ZINC000228004430 1166380363 /nfs/dbraw/zinc/38/03/63/1166380363.db2.gz QWGHVWHNCNQCIH-BXUZGUMPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@H](C)C[C@@H](N)C1 ZINC000228004430 1166380368 /nfs/dbraw/zinc/38/03/68/1166380368.db2.gz QWGHVWHNCNQCIH-BXUZGUMPSA-N 1 3 232.371 2.473 20 0 BEADHO CCC(CC)C[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC000250384063 1166393868 /nfs/dbraw/zinc/39/38/68/1166393868.db2.gz FNYHYLIXGJYPNF-DGCLKSJQSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC000250384063 1166393873 /nfs/dbraw/zinc/39/38/73/1166393873.db2.gz FNYHYLIXGJYPNF-DGCLKSJQSA-N 1 3 212.381 2.482 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(F)CCC1)C2 ZINC001169109591 969448240 /nfs/dbraw/zinc/44/82/40/969448240.db2.gz FBSPYHCDYMGMEO-CNDDSTCGSA-N 1 3 226.339 2.093 20 0 BEADHO CN1CCC[C@H]([NH+]2CCC3(CC3)CC2)CC1 ZINC001254518853 969696065 /nfs/dbraw/zinc/69/60/65/969696065.db2.gz FAAWJHZONVLOHF-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218027899 1166511881 /nfs/dbraw/zinc/51/18/81/1166511881.db2.gz BHIJZWQXCLRKKY-RISCZKNCSA-N 1 3 246.354 2.057 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748725 1166613227 /nfs/dbraw/zinc/61/32/27/1166613227.db2.gz ZMYXJFDBTQJAJP-MWLCHTKSSA-N 1 3 232.318 2.104 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748725 1166613232 /nfs/dbraw/zinc/61/32/32/1166613232.db2.gz ZMYXJFDBTQJAJP-MWLCHTKSSA-N 1 3 232.318 2.104 20 0 BEADHO CCCC[NH2+][C@H](C)CCN(CC)CC ZINC001255941916 970575064 /nfs/dbraw/zinc/57/50/64/970575064.db2.gz ZLIHBLQLAYTQQZ-GFCCVEGCSA-N 1 3 200.370 2.497 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCC1CC1 ZINC001255946781 970579955 /nfs/dbraw/zinc/57/99/55/970579955.db2.gz ZUZNKOMIOQODBZ-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](CO)C(C)(C)C ZINC001255947671 970580185 /nfs/dbraw/zinc/58/01/85/970580185.db2.gz UVDMRBHYYKVLAL-OLZOCXBDSA-N 1 3 244.423 2.103 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](CO)C(C)(C)C ZINC001255947671 970580197 /nfs/dbraw/zinc/58/01/97/970580197.db2.gz UVDMRBHYYKVLAL-OLZOCXBDSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC001255948099 970583761 /nfs/dbraw/zinc/58/37/61/970583761.db2.gz DYJCSMHPZPFWJY-RDBSUJKOSA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](C)C1CCOCC1 ZINC001255955472 970587980 /nfs/dbraw/zinc/58/79/80/970587980.db2.gz UPYIFKPJROSQPI-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](C)C1CCOCC1 ZINC001255955472 970587986 /nfs/dbraw/zinc/58/79/86/970587986.db2.gz UPYIFKPJROSQPI-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@H](C)C1 ZINC001255956752 970595832 /nfs/dbraw/zinc/59/58/32/970595832.db2.gz MCXFSMOPAAOKLB-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@H](C)C1 ZINC001255956752 970595841 /nfs/dbraw/zinc/59/58/41/970595841.db2.gz MCXFSMOPAAOKLB-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO C[NH+]1CCC(N2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001256205055 970702526 /nfs/dbraw/zinc/70/25/26/970702526.db2.gz VKGULSPKSARELR-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1 ZINC001167949405 1167006078 /nfs/dbraw/zinc/00/60/78/1167006078.db2.gz WWQTWCMGXFKSCW-XLWJZTARSA-N 1 3 234.387 2.059 20 0 BEADHO CCSC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173302520 975208079 /nfs/dbraw/zinc/20/80/79/975208079.db2.gz SPVKOJDMMAJKLF-UPJWGTAASA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173302520 975208090 /nfs/dbraw/zinc/20/80/90/975208090.db2.gz SPVKOJDMMAJKLF-UPJWGTAASA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@H](C)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173315647 975302478 /nfs/dbraw/zinc/30/24/78/975302478.db2.gz RVUKSJUJEFUFDJ-YNEHKIRRSA-N 1 3 242.432 2.012 20 0 BEADHO CC(C)N1CCC([NH2+]CC2(F)CCC2)CC1 ZINC000309610726 1167331482 /nfs/dbraw/zinc/33/14/82/1167331482.db2.gz MOKFAWNKDKPSHB-UHFFFAOYSA-N 1 3 228.355 2.341 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)C[C@H](N)C1 ZINC000215507076 1167411565 /nfs/dbraw/zinc/41/15/65/1167411565.db2.gz QWGHVWHNCNQCIH-FZMZJTMJSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](C)C[C@H](N)C1 ZINC000215507076 1167411568 /nfs/dbraw/zinc/41/15/68/1167411568.db2.gz QWGHVWHNCNQCIH-FZMZJTMJSA-N 1 3 232.371 2.473 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](C2CCCCC2)C1 ZINC000215782041 1167478202 /nfs/dbraw/zinc/47/82/02/1167478202.db2.gz YXCAXRCDVGQBGZ-LBPRGKRZSA-N 1 3 210.365 2.380 20 0 BEADHO NC[C@@H]1CCCC[N@H+](C2CCCCC2)C1 ZINC000215782041 1167478205 /nfs/dbraw/zinc/47/82/05/1167478205.db2.gz YXCAXRCDVGQBGZ-LBPRGKRZSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252098654 1167626437 /nfs/dbraw/zinc/62/64/37/1167626437.db2.gz ICDZGGUMPGGCAR-XQHKEYJVSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252098654 1167626443 /nfs/dbraw/zinc/62/64/43/1167626443.db2.gz ICDZGGUMPGGCAR-XQHKEYJVSA-N 1 3 212.381 2.338 20 0 BEADHO C1CC[C@@H]2C[N@@H+]([C@@H]3CCCNC3)CC[C@H]2C1 ZINC000252372285 1167825899 /nfs/dbraw/zinc/82/58/99/1167825899.db2.gz ICLNTGGGMVODTQ-MGPQQGTHSA-N 1 3 222.376 2.251 20 0 BEADHO C1CC[C@@H]2C[N@H+]([C@@H]3CCCNC3)CC[C@H]2C1 ZINC000252372285 1167825908 /nfs/dbraw/zinc/82/59/08/1167825908.db2.gz ICLNTGGGMVODTQ-MGPQQGTHSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235176298 978989821 /nfs/dbraw/zinc/98/98/21/978989821.db2.gz ZYZGNYNNUMFXQZ-MGPQQGTHSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235176298 978989826 /nfs/dbraw/zinc/98/98/26/978989826.db2.gz ZYZGNYNNUMFXQZ-MGPQQGTHSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@]12CCCNC2 ZINC001235176298 978989832 /nfs/dbraw/zinc/98/98/32/978989832.db2.gz ZYZGNYNNUMFXQZ-MGPQQGTHSA-N 1 3 222.376 2.251 20 0 BEADHO CC[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC000229541143 1168330376 /nfs/dbraw/zinc/33/03/76/1168330376.db2.gz FMAHAOQRSOBZIB-RWMBFGLXSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC000229541143 1168330381 /nfs/dbraw/zinc/33/03/81/1168330381.db2.gz FMAHAOQRSOBZIB-RWMBFGLXSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC000229542168 1168333443 /nfs/dbraw/zinc/33/34/43/1168333443.db2.gz YSHLPAJQSFDQCS-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC000229542168 1168333446 /nfs/dbraw/zinc/33/34/46/1168333446.db2.gz YSHLPAJQSFDQCS-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC001184419314 980081639 /nfs/dbraw/zinc/08/16/39/980081639.db2.gz ZLTPHWPRJQRJFK-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1cc2[nH]ccc2c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158180708 1168546423 /nfs/dbraw/zinc/54/64/23/1168546423.db2.gz YNJQYQFTSNXTIU-QWRGUYRKSA-N 1 3 244.342 2.058 20 0 BEADHO N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000057938805 1169154867 /nfs/dbraw/zinc/15/48/67/1169154867.db2.gz BGRNLJQTCYXANK-ZDUSSCGKSA-N 1 3 208.349 2.300 20 0 BEADHO N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC000057938805 1169154875 /nfs/dbraw/zinc/15/48/75/1169154875.db2.gz BGRNLJQTCYXANK-ZDUSSCGKSA-N 1 3 208.349 2.300 20 0 BEADHO CCCN(CCC[NH3+])[C@@H](C)Cc1ccccn1 ZINC001256397553 970805411 /nfs/dbraw/zinc/80/54/11/970805411.db2.gz SFNZJISSRGEHLY-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccccn1 ZINC001256397553 970805413 /nfs/dbraw/zinc/80/54/13/970805413.db2.gz SFNZJISSRGEHLY-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccccn1 ZINC001256397553 970805417 /nfs/dbraw/zinc/80/54/17/970805417.db2.gz SFNZJISSRGEHLY-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO F[C@H]1CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256856559 970997747 /nfs/dbraw/zinc/99/77/47/970997747.db2.gz JVOWZIQOWXXCLO-LBPRGKRZSA-N 1 3 249.333 2.094 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCCc2cccc(F)c2)C12CCC2 ZINC000405234156 971212803 /nfs/dbraw/zinc/21/28/03/971212803.db2.gz RZSFDTJANNSJGO-KGLIPLIRSA-N 1 3 248.345 2.228 20 0 BEADHO Cc1ccccc1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405261106 971219733 /nfs/dbraw/zinc/21/97/33/971219733.db2.gz OUNQRHCUZLAVBK-GJZGRUSLSA-N 1 3 244.382 2.397 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCCc2ccccc2)C12CCC2 ZINC000405247936 971218997 /nfs/dbraw/zinc/21/89/97/971218997.db2.gz IFRLGQSHKLTBBN-UONOGXRCSA-N 1 3 230.355 2.089 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCC2(F)F)C12CCC2 ZINC000405270632 971219163 /nfs/dbraw/zinc/21/91/63/971219163.db2.gz RQJKQKKEAQDXQN-HBNTYKKESA-N 1 3 244.329 2.281 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1cccc(F)c1 ZINC000405309458 971232704 /nfs/dbraw/zinc/23/27/04/971232704.db2.gz ZWHKSYUPRFXVPF-STQMWFEESA-N 1 3 236.334 2.084 20 0 BEADHO C[C@@]1(N)CC[N@H+](CCCCc2ccccc2)C1 ZINC000405837390 971309979 /nfs/dbraw/zinc/30/99/79/971309979.db2.gz QFONQDRYEUHTRB-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@]1(N)CC[N@@H+](CCCCc2ccccc2)C1 ZINC000405837390 971309989 /nfs/dbraw/zinc/30/99/89/971309989.db2.gz QFONQDRYEUHTRB-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@]1(N)CC[N@H+](CCCc2ccccc2)C1 ZINC000405839267 971316600 /nfs/dbraw/zinc/31/66/00/971316600.db2.gz HZCVQRQQTWEULD-AWEZNQCLSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@]1(N)CC[N@@H+](CCCc2ccccc2)C1 ZINC000405839267 971316606 /nfs/dbraw/zinc/31/66/06/971316606.db2.gz HZCVQRQQTWEULD-AWEZNQCLSA-N 1 3 218.344 2.042 20 0 BEADHO CCCCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001257504662 971422837 /nfs/dbraw/zinc/42/28/37/971422837.db2.gz YZSIGWYNHNHMCI-NWDGAFQWSA-N 1 3 200.370 2.482 20 0 BEADHO CCCCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001257504662 971422840 /nfs/dbraw/zinc/42/28/40/971422840.db2.gz YZSIGWYNHNHMCI-NWDGAFQWSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)OC1CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC001257874566 971512995 /nfs/dbraw/zinc/51/29/95/971512995.db2.gz FRHRVBGYQBNLSW-HSBZDZAISA-N 1 3 242.407 2.249 20 0 BEADHO CC(C)OC1CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC001257874566 971513008 /nfs/dbraw/zinc/51/30/08/971513008.db2.gz FRHRVBGYQBNLSW-HSBZDZAISA-N 1 3 242.407 2.249 20 0 BEADHO COCC(C)(C)NC1CC[NH+](CC(C)C)CC1 ZINC001258002661 971554579 /nfs/dbraw/zinc/55/45/79/971554579.db2.gz YDSNNRKNBVKXOX-UHFFFAOYSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc2c1CNC2 ZINC001217992411 971561872 /nfs/dbraw/zinc/56/18/72/971561872.db2.gz RHTLLSZMGAJANR-FZMZJTMJSA-N 1 3 246.354 2.057 20 0 BEADHO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc2c1CNC2 ZINC001217992421 971562110 /nfs/dbraw/zinc/56/21/10/971562110.db2.gz RHTLLSZMGAJANR-SMDDNHRTSA-N 1 3 246.354 2.057 20 0 BEADHO NC[C@@H]1CCCC[N@H+](CCc2ccccc2)C1 ZINC000310220502 971961216 /nfs/dbraw/zinc/96/12/16/971961216.db2.gz FWGSPVCGXUKEPG-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](CCc2ccccc2)C1 ZINC000310220502 971961222 /nfs/dbraw/zinc/96/12/22/971961222.db2.gz FWGSPVCGXUKEPG-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO CC(C)CC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000190775231 972053704 /nfs/dbraw/zinc/05/37/04/972053704.db2.gz BTMBUTNOBRIAGZ-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)(C)c1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900231 972065557 /nfs/dbraw/zinc/06/55/57/972065557.db2.gz QPGIFXDJYSLVQW-ZDUSSCGKSA-N 1 3 235.375 2.420 20 0 BEADHO CCOC1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246089501 972143335 /nfs/dbraw/zinc/14/33/35/972143335.db2.gz FNQXMIVYMGLORE-MOKVOYLWSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H](CC1CC1)NC[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106356 972169381 /nfs/dbraw/zinc/16/93/81/972169381.db2.gz PPHNKCQJZVKRFW-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO CN1CCC=C(c2cccc3c2CC[C@H]3[NH3+])C1 ZINC001241571245 1169730891 /nfs/dbraw/zinc/73/08/91/1169730891.db2.gz WQDHSPJQCOSTES-OAHLLOKOSA-N 1 3 228.339 2.352 20 0 BEADHO C[C@@H]1CC[C@@H](CNC2CCCCC2)[NH2+]C1 ZINC001246115096 972177337 /nfs/dbraw/zinc/17/73/37/972177337.db2.gz QUABTAXVDRDLMV-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO Cc1nc(NC[C@H]2CCCC[NH2+]2)cc2[nH]ccc21 ZINC001160151268 972218628 /nfs/dbraw/zinc/21/86/28/972218628.db2.gz SJSPYFODNDKMMT-LLVKDONJSA-N 1 3 244.342 2.425 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]c3ccccc23)CN1 ZINC001246248543 972248626 /nfs/dbraw/zinc/24/86/26/972248626.db2.gz YNOYVXDSTGRKTR-YPMHNXCESA-N 1 3 243.354 2.398 20 0 BEADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)CC2)C[C@H](C)O1 ZINC000724501241 957320775 /nfs/dbraw/zinc/32/07/75/957320775.db2.gz JKLWLUYTUFTJCB-CRWXNKLISA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N)CC2)C[C@H](C)O1 ZINC000724501241 957320785 /nfs/dbraw/zinc/32/07/85/957320785.db2.gz JKLWLUYTUFTJCB-CRWXNKLISA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CSc2ccccc2C1 ZINC001246307254 972268431 /nfs/dbraw/zinc/26/84/31/972268431.db2.gz UQHQWEBYGVZPJY-JQWIXIFHSA-N 1 3 236.384 2.030 20 0 BEADHO CSC(C)(C)C[C@@H](C)N[C@@H]1CCC[NH2+]C1 ZINC001246357824 972303564 /nfs/dbraw/zinc/30/35/64/972303564.db2.gz MZEDVXCSMWGUSX-GHMZBOCLSA-N 1 3 230.421 2.248 20 0 BEADHO C[C@@H]1CC[C@H](NCC2CC(C)(C)C2)C[NH2+]1 ZINC000706558961 957974967 /nfs/dbraw/zinc/97/49/67/957974967.db2.gz DPUVXSNWBROHCR-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO C1[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C12CNC2 ZINC001246444294 972318633 /nfs/dbraw/zinc/31/86/33/972318633.db2.gz JYWOWXPTXCBDCT-CYBMUJFWSA-N 1 3 234.387 2.441 20 0 BEADHO C1[C@@H](NC2CCC3(CCCC3)CC2)C12C[NH2+]C2 ZINC001246444294 972318636 /nfs/dbraw/zinc/31/86/36/972318636.db2.gz JYWOWXPTXCBDCT-CYBMUJFWSA-N 1 3 234.387 2.441 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222232899 972417199 /nfs/dbraw/zinc/41/71/99/972417199.db2.gz YKXBGZNFJAGNPV-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@]12CCCNC2 ZINC001222232899 972417215 /nfs/dbraw/zinc/41/72/15/972417215.db2.gz YKXBGZNFJAGNPV-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCCc2ccccc2)C12CCC2 ZINC000405247938 959421483 /nfs/dbraw/zinc/42/14/83/959421483.db2.gz IFRLGQSHKLTBBN-ZIAGYGMSSA-N 1 3 230.355 2.089 20 0 BEADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@](C)(N)C1)C2 ZINC001246532155 972444753 /nfs/dbraw/zinc/44/47/53/972444753.db2.gz UMHJDLRHOHQENJ-ZBFHGGJFSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@](C)(N)C1)C2 ZINC001246532155 972444757 /nfs/dbraw/zinc/44/47/57/972444757.db2.gz UMHJDLRHOHQENJ-ZBFHGGJFSA-N 1 3 244.382 2.275 20 0 BEADHO C[C@H](N[C@@H]1CCCC2(CC2)C1)[C@H]1CCC[NH2+]1 ZINC000695725402 960405002 /nfs/dbraw/zinc/40/50/02/960405002.db2.gz WWEKUBFVAFTXGF-YNEHKIRRSA-N 1 3 222.376 2.439 20 0 BEADHO FC1(F)CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709401134 960574072 /nfs/dbraw/zinc/57/40/72/960574072.db2.gz AYYAYGKJEBJRLY-GZBOUJLJSA-N 1 3 230.302 2.047 20 0 BEADHO C[C@@H](Cc1ccc(Cl)cc1)NC1CC([NH3+])C1 ZINC000087651394 961600285 /nfs/dbraw/zinc/60/02/85/961600285.db2.gz OKDCXGMLIIBTLI-ALXWSUNGSA-N 1 3 238.762 2.350 20 0 BEADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC(N)C1 ZINC000087651394 961600291 /nfs/dbraw/zinc/60/02/91/961600291.db2.gz OKDCXGMLIIBTLI-ALXWSUNGSA-N 1 3 238.762 2.350 20 0 BEADHO C[C@H]1CC[C@H]([NH+]2CCN(c3ccncc3)CC2)C1 ZINC000092874347 961896029 /nfs/dbraw/zinc/89/60/29/961896029.db2.gz HMADQCBECSBUIZ-ZFWWWQNUSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]1CC(N2CC3(C2)CCC[NH2+]C3)C[C@H](C)C1 ZINC000709984808 962208006 /nfs/dbraw/zinc/20/80/06/962208006.db2.gz UHYFDLJYFUMNGF-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]1CC([NH+]2CC3(C2)CCCNC3)C[C@H](C)C1 ZINC000709984808 962208027 /nfs/dbraw/zinc/20/80/27/962208027.db2.gz UHYFDLJYFUMNGF-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO Cc1cc2[nH]ccc2c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001155188121 963014914 /nfs/dbraw/zinc/01/49/14/963014914.db2.gz QUZVOILCOOGHOL-MWLCHTKSSA-N 1 3 230.315 2.034 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)C(C)(F)F ZINC000696621528 963298406 /nfs/dbraw/zinc/29/84/06/963298406.db2.gz RJYLEFCIUUIXJE-VHSXEESVSA-N 1 3 234.334 2.385 20 0 BEADHO C[C@@H](CC[NH2+]C[C@@H]1CC=CCC1)N(C)C ZINC000697877836 964604149 /nfs/dbraw/zinc/60/41/49/964604149.db2.gz FPBGTFPLRADVLR-QWHCGFSZSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)c1cscn1 ZINC000697892763 964652642 /nfs/dbraw/zinc/65/26/42/964652642.db2.gz QTYXYHZGBUOPDO-VHSXEESVSA-N 1 3 239.388 2.182 20 0 BEADHO CCC[N@H+](CC(C)C)[C@H](C)CCNC ZINC000379592953 964769297 /nfs/dbraw/zinc/76/92/97/964769297.db2.gz ZWGBQAFSQCMWMC-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO CCC[N@@H+](CC(C)C)[C@H](C)CCNC ZINC000379592953 964769298 /nfs/dbraw/zinc/76/92/98/964769298.db2.gz ZWGBQAFSQCMWMC-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO CC1(C)C[NH+](C2CCN(CC3CC3)CC2)C1 ZINC001168371546 964941392 /nfs/dbraw/zinc/94/13/92/964941392.db2.gz ODOCCRFEOHEAFL-UHFFFAOYSA-N 1 3 222.376 2.203 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](Nc2c[nH]cc3ccnc2-3)C1 ZINC001162396447 964956670 /nfs/dbraw/zinc/95/66/70/964956670.db2.gz JJMOZTVQHVQLDO-MNOVXSKESA-N 1 3 230.315 2.245 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](Nc2cncc3cc[nH]c32)C1 ZINC001162396447 964956677 /nfs/dbraw/zinc/95/66/77/964956677.db2.gz JJMOZTVQHVQLDO-MNOVXSKESA-N 1 3 230.315 2.245 20 0 BEADHO C[C@H]1CCCC[N@@H+]1CCCNc1cccc(N)n1 ZINC000168744478 965120589 /nfs/dbraw/zinc/12/05/89/965120589.db2.gz XZCYSRHYXJNSNU-LBPRGKRZSA-N 1 3 248.374 2.340 20 0 BEADHO C[C@H]1CCCC[N@H+]1CCCNc1cccc(N)n1 ZINC000168744478 965120597 /nfs/dbraw/zinc/12/05/97/965120597.db2.gz XZCYSRHYXJNSNU-LBPRGKRZSA-N 1 3 248.374 2.340 20 0 BEADHO C1=C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000698277947 965171866 /nfs/dbraw/zinc/17/18/66/965171866.db2.gz MSEXMNOJWLCOEG-XDQVBPFNSA-N 1 3 220.360 2.215 20 0 BEADHO Cc1cc(C)nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162802539 965186341 /nfs/dbraw/zinc/18/63/41/965186341.db2.gz VJBKHOKQXFKBCD-RYUDHWBXSA-N 1 3 237.322 2.058 20 0 BEADHO CCCC(C[NH3+])(CCC)Nc1cc(N)ccn1 ZINC001163035565 965238145 /nfs/dbraw/zinc/23/81/45/965238145.db2.gz NIKWHQYOQWZYLR-UHFFFAOYSA-N 1 3 236.363 2.373 20 0 BEADHO CN1CC2(C1)CC[NH+](C1CCCCC1)CC2 ZINC001257460870 1169869129 /nfs/dbraw/zinc/86/91/29/1169869129.db2.gz CYWHTLWHEKKVGM-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)cc(C)c1O ZINC001205069016 965426032 /nfs/dbraw/zinc/42/60/32/965426032.db2.gz RXEYLTKWPQMGBX-JSGCOSHPSA-N 1 3 248.370 2.321 20 0 BEADHO Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CN)cc(C)c1O ZINC001205069016 965426038 /nfs/dbraw/zinc/42/60/38/965426038.db2.gz RXEYLTKWPQMGBX-JSGCOSHPSA-N 1 3 248.370 2.321 20 0 BEADHO Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)ccc1O ZINC001205069276 965431235 /nfs/dbraw/zinc/43/12/35/965431235.db2.gz XHDNFSHZNNDJFS-AAEUAGOBSA-N 1 3 234.343 2.012 20 0 BEADHO Cc1cc(C[N@H+]2[C@@H](C)CC[C@H]2CN)ccc1O ZINC001205069276 965431239 /nfs/dbraw/zinc/43/12/39/965431239.db2.gz XHDNFSHZNNDJFS-AAEUAGOBSA-N 1 3 234.343 2.012 20 0 BEADHO Cc1c2[nH]cnc2ccc1N[C@H](C)C[NH+](C)C ZINC001163777283 965581884 /nfs/dbraw/zinc/58/18/84/965581884.db2.gz VFQQGKZHEPTUBH-SECBINFHSA-N 1 3 232.331 2.233 20 0 BEADHO Cc1ccsc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205094777 965732005 /nfs/dbraw/zinc/73/20/05/965732005.db2.gz PFXPRLYEYWGNRK-LLVKDONJSA-N 1 3 224.373 2.370 20 0 BEADHO [NH3+][C@H]1CCCN(Cc2c[nH]c3ccccc23)CC1 ZINC001205095200 965739212 /nfs/dbraw/zinc/73/92/12/965739212.db2.gz VEQCZXYVYLYTKO-ZDUSSCGKSA-N 1 3 243.354 2.481 20 0 BEADHO C[C@H](Cc1cccc(F)c1)N(C)C[C@@H](C)C[NH3+] ZINC001168465695 965814617 /nfs/dbraw/zinc/81/46/17/965814617.db2.gz VGVYVYHVFCXZTQ-NWDGAFQWSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](Cc1cccc(F)c1)[N@@H+](C)C[C@@H](C)CN ZINC001168465695 965814620 /nfs/dbraw/zinc/81/46/20/965814620.db2.gz VGVYVYHVFCXZTQ-NWDGAFQWSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](C)CN ZINC001168465695 965814625 /nfs/dbraw/zinc/81/46/25/965814625.db2.gz VGVYVYHVFCXZTQ-NWDGAFQWSA-N 1 3 238.350 2.283 20 0 BEADHO COC1(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCC1 ZINC000715202145 965947946 /nfs/dbraw/zinc/94/79/46/965947946.db2.gz NKDDMZPTKKPWIG-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1[nH+]c(N2CC(C)(N(C)C)C2)cc2[nH]ccc21 ZINC001165120107 965962285 /nfs/dbraw/zinc/96/22/85/965962285.db2.gz IFDIOGQZIGMIPT-UHFFFAOYSA-N 1 3 244.342 2.012 20 0 BEADHO COc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC001205140929 966024019 /nfs/dbraw/zinc/02/40/19/966024019.db2.gz SPHCVRKRUDFFKU-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235986351 966202198 /nfs/dbraw/zinc/20/21/98/966202198.db2.gz DSBYZFMHPASKLN-CABCVRRESA-N 1 3 230.355 2.172 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235986351 966202207 /nfs/dbraw/zinc/20/22/07/966202207.db2.gz DSBYZFMHPASKLN-CABCVRRESA-N 1 3 230.355 2.172 20 0 BEADHO N[C@]12CC[C@@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989224 966209191 /nfs/dbraw/zinc/20/91/91/966209191.db2.gz IJGGFZYPSNIDHV-ZBFHGGJFSA-N 1 3 242.366 2.487 20 0 BEADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989224 966209208 /nfs/dbraw/zinc/20/92/08/966209208.db2.gz IJGGFZYPSNIDHV-ZBFHGGJFSA-N 1 3 242.366 2.487 20 0 BEADHO CCN1C[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2C1 ZINC001203893544 966814380 /nfs/dbraw/zinc/81/43/80/966814380.db2.gz KKIBSMRFIBVLPR-IYBDPMFKSA-N 1 3 244.382 2.379 20 0 BEADHO CCN1C[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@@H]2C1 ZINC001203893544 966814387 /nfs/dbraw/zinc/81/43/87/966814387.db2.gz KKIBSMRFIBVLPR-IYBDPMFKSA-N 1 3 244.382 2.379 20 0 BEADHO C[N@@H+]1CC[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC001204012822 966851819 /nfs/dbraw/zinc/85/18/19/966851819.db2.gz PAJILZYICLAAEP-NEPJUHHUSA-N 1 3 236.384 2.132 20 0 BEADHO C[N@H+]1CC[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC001204012822 966851828 /nfs/dbraw/zinc/85/18/28/966851828.db2.gz PAJILZYICLAAEP-NEPJUHHUSA-N 1 3 236.384 2.132 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1CCCNC1CC1 ZINC000084125753 966927282 /nfs/dbraw/zinc/92/72/82/966927282.db2.gz KWQRWQLHMKVIFH-CYBMUJFWSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1CCCNC1CC1 ZINC000084125753 966927277 /nfs/dbraw/zinc/92/72/77/966927277.db2.gz KWQRWQLHMKVIFH-CYBMUJFWSA-N 1 3 210.365 2.249 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000084215614 966954768 /nfs/dbraw/zinc/95/47/68/966954768.db2.gz AFTYHSVOQRRKDL-DGCLKSJQSA-N 1 3 238.400 2.398 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762773 967153912 /nfs/dbraw/zinc/15/39/12/967153912.db2.gz DFNNKZOISLXKRU-MELADBBJSA-N 1 3 222.376 2.402 20 0 BEADHO COc1ccc(CCC[N@@H+]2CC[C@@](C)(N)C2)cc1 ZINC001204763460 967155655 /nfs/dbraw/zinc/15/56/55/967155655.db2.gz LERXZHVEZWPGMM-OAHLLOKOSA-N 1 3 248.370 2.051 20 0 BEADHO COc1ccc(CCC[N@H+]2CC[C@@](C)(N)C2)cc1 ZINC001204763460 967155665 /nfs/dbraw/zinc/15/56/65/967155665.db2.gz LERXZHVEZWPGMM-OAHLLOKOSA-N 1 3 248.370 2.051 20 0 BEADHO CC/C=C\CCN1CCC[C@H](C[NH2+]C)C1 ZINC001205000295 967283741 /nfs/dbraw/zinc/28/37/41/967283741.db2.gz CSTVJVWPKFKXFU-DSYXLKISSA-N 1 3 210.365 2.274 20 0 BEADHO COC1CCC(C[N@@H+]2CCC[C@H](N)CC2)CC1 ZINC001205094592 967338769 /nfs/dbraw/zinc/33/87/69/967338769.db2.gz NDSOXTXOJHCDRO-MOKVOYLWSA-N 1 3 240.391 2.005 20 0 BEADHO COC1CCC(C[N@H+]2CCC[C@H](N)CC2)CC1 ZINC001205094592 967338777 /nfs/dbraw/zinc/33/87/77/967338777.db2.gz NDSOXTXOJHCDRO-MOKVOYLWSA-N 1 3 240.391 2.005 20 0 BEADHO COc1c(C)cccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150728 967397363 /nfs/dbraw/zinc/39/73/63/967397363.db2.gz IVMRGZWWIXYJSU-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO C[C@@H](CN1CCC[C@](C)([NH3+])CC1)C(F)(F)F ZINC001205255006 967446646 /nfs/dbraw/zinc/44/66/46/967446646.db2.gz DORUXEYVZNXBLV-UWVGGRQHSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@]1([NH3+])CCCN(Cc2cccs2)CC1 ZINC001205263861 967456982 /nfs/dbraw/zinc/45/69/82/967456982.db2.gz CXJBDKBLTCVSBV-LBPRGKRZSA-N 1 3 224.373 2.451 20 0 BEADHO COc1cccc(CN2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266656 967457997 /nfs/dbraw/zinc/45/79/97/967457997.db2.gz VLZYTCTZSYCTQQ-OAHLLOKOSA-N 1 3 248.370 2.399 20 0 BEADHO Cc1ccc(O)cc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205296024 967498438 /nfs/dbraw/zinc/49/84/38/967498438.db2.gz DWPANXAHJJLRGJ-HNNXBMFYSA-N 1 3 248.370 2.404 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCCOC1)N1CCCCC1 ZINC001205391965 967615069 /nfs/dbraw/zinc/61/50/69/967615069.db2.gz XXESBNMUZGWNEF-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](CCN[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001205391965 967615091 /nfs/dbraw/zinc/61/50/91/967615091.db2.gz XXESBNMUZGWNEF-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO [NH3+]C[C@H]1CN(C[C@@H]2CC=CCC2)CCC1(F)F ZINC001205736237 967809683 /nfs/dbraw/zinc/80/96/83/967809683.db2.gz WVULZPXPEZYLIN-NEPJUHHUSA-N 1 3 244.329 2.259 20 0 BEADHO C[C@@H]1C[N@H+](Cc2cccc3ccoc32)C[C@H]1N ZINC001206070146 968038848 /nfs/dbraw/zinc/03/88/48/968038848.db2.gz CARLDSQNBYLDCG-ZWNOBZJWSA-N 1 3 230.311 2.212 20 0 BEADHO C[C@@H]1C[N@@H+](Cc2cccc3ccoc32)C[C@H]1N ZINC001206070146 968038854 /nfs/dbraw/zinc/03/88/54/968038854.db2.gz CARLDSQNBYLDCG-ZWNOBZJWSA-N 1 3 230.311 2.212 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cs1 ZINC001206214218 968146289 /nfs/dbraw/zinc/14/62/89/968146289.db2.gz XWTCNWDLLMULDH-NWDGAFQWSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cs1 ZINC001206214218 968146295 /nfs/dbraw/zinc/14/62/95/968146295.db2.gz XWTCNWDLLMULDH-NWDGAFQWSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1ccc2c(c1)nccc2N1CC[C@H]([NH3+])C1 ZINC001164287317 968211137 /nfs/dbraw/zinc/21/11/37/968211137.db2.gz FYVBMKZJADFGNQ-NSHDSACASA-N 1 3 227.311 2.081 20 0 BEADHO C[C@@H](CN1CCCC[C@@H](C[NH3+])C1)C(F)(F)F ZINC001206606258 968414921 /nfs/dbraw/zinc/41/49/21/968414921.db2.gz IHCKOZFZPYFVED-UWVGGRQHSA-N 1 3 238.297 2.246 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]CC[C@H](C)N(C)C ZINC000700456700 968567211 /nfs/dbraw/zinc/56/72/11/968567211.db2.gz WVQKSVYDLCIKBS-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO CCCC[C@@H](O)CNCCC[N@H+](C)CCCC ZINC001252108955 968593371 /nfs/dbraw/zinc/59/33/71/968593371.db2.gz UDUQUVIKASKVDV-CQSZACIVSA-N 1 3 244.423 2.249 20 0 BEADHO CCCC[C@@H](O)CNCCC[N@@H+](C)CCCC ZINC001252108955 968593379 /nfs/dbraw/zinc/59/33/79/968593379.db2.gz UDUQUVIKASKVDV-CQSZACIVSA-N 1 3 244.423 2.249 20 0 BEADHO CCCC[C@@H](O)C[NH2+]CCCN(C)CCCC ZINC001252108955 968593386 /nfs/dbraw/zinc/59/33/86/968593386.db2.gz UDUQUVIKASKVDV-CQSZACIVSA-N 1 3 244.423 2.249 20 0 BEADHO CN(CCC1CC[NH+](C)CC1)Cc1ccccn1 ZINC001207480171 968797629 /nfs/dbraw/zinc/79/76/29/968797629.db2.gz VTVSUAKTPROGAY-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCC[C@H]1CCO1 ZINC001207858097 968892767 /nfs/dbraw/zinc/89/27/67/968892767.db2.gz DIQZRZORESEGGJ-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CN1CC=C(c2ccc([C@H]3CCC[NH2+]3)cn2)CC1 ZINC001241307573 968969932 /nfs/dbraw/zinc/96/99/32/968969932.db2.gz CPNYPDPZPRYNJY-CQSZACIVSA-N 1 3 243.354 2.225 20 0 BEADHO C[C@@H]([NH3+])c1ccccc1C1=CCCN(C)C1 ZINC001241571912 969067557 /nfs/dbraw/zinc/06/75/57/969067557.db2.gz KJMKBCZWEZKFQO-LLVKDONJSA-N 1 3 216.328 2.425 20 0 BEADHO CCCCC[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253406189 969162868 /nfs/dbraw/zinc/16/28/68/969162868.db2.gz BXRGOZUMWHQRKQ-STQMWFEESA-N 1 3 244.423 2.294 20 0 BEADHO CCCCC[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406189 969162872 /nfs/dbraw/zinc/16/28/72/969162872.db2.gz BXRGOZUMWHQRKQ-STQMWFEESA-N 1 3 244.423 2.294 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001208687127 969195082 /nfs/dbraw/zinc/19/50/82/969195082.db2.gz PRRQCDORRIQYAU-OKILXGFUSA-N 1 3 222.376 2.060 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001208687127 969195085 /nfs/dbraw/zinc/19/50/85/969195085.db2.gz PRRQCDORRIQYAU-OKILXGFUSA-N 1 3 222.376 2.060 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C2 ZINC001169079814 969402289 /nfs/dbraw/zinc/40/22/89/969402289.db2.gz LRSBOXJDDFOICL-OWUUHHOZSA-N 1 3 236.281 2.154 20 0 BEADHO Cc1cnccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169080972 969402882 /nfs/dbraw/zinc/40/28/82/969402882.db2.gz OGFNMMTTXFMGHN-QDMKHBRRSA-N 1 3 245.370 2.105 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC001169080450 969404519 /nfs/dbraw/zinc/40/45/19/969404519.db2.gz NMYGGOLFSINENC-REBRKWNGSA-N 1 3 245.370 2.357 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccs1)C2 ZINC001169080941 969405367 /nfs/dbraw/zinc/40/53/67/969405367.db2.gz NXHYULAMQYJKFI-CNDDSTCGSA-N 1 3 236.384 2.463 20 0 BEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)CC1)C2 ZINC001169126244 969433412 /nfs/dbraw/zinc/43/34/12/969433412.db2.gz QNUIMNGMSDQKSB-ITGUQSILSA-N 1 3 226.339 2.046 20 0 BEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(F)CC1)C2 ZINC001169126244 969433415 /nfs/dbraw/zinc/43/34/15/969433415.db2.gz QNUIMNGMSDQKSB-ITGUQSILSA-N 1 3 226.339 2.046 20 0 BEADHO CC[NH+]1CCC(N[C@@H](C)c2cccc(N)c2)CC1 ZINC001169233545 969515952 /nfs/dbraw/zinc/51/59/52/969515952.db2.gz SQOJGICYWKKWCH-LBPRGKRZSA-N 1 3 247.386 2.404 20 0 BEADHO CCCN(CCC[NH+]1CCCCC1)CCOC ZINC001209448705 969518396 /nfs/dbraw/zinc/51/83/96/969518396.db2.gz YXJZYCBQQGQADM-UHFFFAOYSA-N 1 3 242.407 2.221 20 0 BEADHO C[N@@H+]1CCC[C@H](NC(C)(C)c2ccncc2)CC1 ZINC001254510909 969683506 /nfs/dbraw/zinc/68/35/06/969683506.db2.gz ZDMOUHQOKJDROV-AWEZNQCLSA-N 1 3 247.386 2.391 20 0 BEADHO C[N@H+]1CCC[C@H](NC(C)(C)c2ccncc2)CC1 ZINC001254510909 969683509 /nfs/dbraw/zinc/68/35/09/969683509.db2.gz ZDMOUHQOKJDROV-AWEZNQCLSA-N 1 3 247.386 2.391 20 0 BEADHO C[N@@H+]1CCC[C@@H](NC(C)(C)c2ccncc2)CC1 ZINC001254510910 969683874 /nfs/dbraw/zinc/68/38/74/969683874.db2.gz ZDMOUHQOKJDROV-CQSZACIVSA-N 1 3 247.386 2.391 20 0 BEADHO C[N@H+]1CCC[C@@H](NC(C)(C)c2ccncc2)CC1 ZINC001254510910 969683880 /nfs/dbraw/zinc/68/38/80/969683880.db2.gz ZDMOUHQOKJDROV-CQSZACIVSA-N 1 3 247.386 2.391 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254516380 969690984 /nfs/dbraw/zinc/69/09/84/969690984.db2.gz MDTGXOWJOBXZAY-AVGNSLFASA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516380 969690985 /nfs/dbraw/zinc/69/09/85/969690985.db2.gz MDTGXOWJOBXZAY-AVGNSLFASA-N 1 3 228.355 2.151 20 0 BEADHO CN1CCC[C@@H]([N@H+](C)C2CC(F)(F)C2)CC1 ZINC001254515841 969691962 /nfs/dbraw/zinc/69/19/62/969691962.db2.gz DXEIFRFNCRHOJY-SNVBAGLBSA-N 1 3 232.318 2.200 20 0 BEADHO CN1CCC[C@@H]([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001254515841 969691966 /nfs/dbraw/zinc/69/19/66/969691966.db2.gz DXEIFRFNCRHOJY-SNVBAGLBSA-N 1 3 232.318 2.200 20 0 BEADHO Cc1ncccc1C[N@@H+](C)[C@H]1CCCN(C)CC1 ZINC001254529224 969729306 /nfs/dbraw/zinc/72/93/06/969729306.db2.gz FKANMLZLJKKPBA-HNNXBMFYSA-N 1 3 247.386 2.306 20 0 BEADHO Cc1ncccc1C[N@H+](C)[C@H]1CCCN(C)CC1 ZINC001254529224 969729310 /nfs/dbraw/zinc/72/93/10/969729310.db2.gz FKANMLZLJKKPBA-HNNXBMFYSA-N 1 3 247.386 2.306 20 0 BEADHO Cc1c2[nH]cnc2ccc1NCC[C@H]1CCC[NH2+]1 ZINC001169563838 969758607 /nfs/dbraw/zinc/75/86/07/969758607.db2.gz CJRSPLBVZGGTKR-LLVKDONJSA-N 1 3 244.342 2.425 20 0 BEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCSC1 ZINC001255269416 970016923 /nfs/dbraw/zinc/01/69/23/970016923.db2.gz GXFBGNFRFOJSSS-NSHDSACASA-N 1 3 242.432 2.472 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1CCOC(C)(C)C1 ZINC001255527566 970291441 /nfs/dbraw/zinc/29/14/41/970291441.db2.gz ORHFMYIINMMQSU-LBPRGKRZSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1CCOC(C)(C)C1 ZINC001255527566 970291452 /nfs/dbraw/zinc/29/14/52/970291452.db2.gz ORHFMYIINMMQSU-LBPRGKRZSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134631 970405587 /nfs/dbraw/zinc/40/55/87/970405587.db2.gz CUMNUOVRIVWWJU-YIYPIFLZSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134631 970405591 /nfs/dbraw/zinc/40/55/91/970405591.db2.gz CUMNUOVRIVWWJU-YIYPIFLZSA-N 1 3 222.376 2.059 20 0 BEADHO CC[C@H]1C[C@H]([N@H+](CCCN)C(C)C)CCO1 ZINC001170171045 970542037 /nfs/dbraw/zinc/54/20/37/970542037.db2.gz OOUKXELEWBAUAR-OLZOCXBDSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@H]1C[C@H]([N@@H+](CCCN)C(C)C)CCO1 ZINC001170171045 970542049 /nfs/dbraw/zinc/54/20/49/970542049.db2.gz OOUKXELEWBAUAR-OLZOCXBDSA-N 1 3 228.380 2.003 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1CCO[C@H](CC)C1 ZINC001170172489 970564015 /nfs/dbraw/zinc/56/40/15/970564015.db2.gz ZQBJNKWRRPRBPD-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1CCO[C@H](CC)C1 ZINC001170172489 970564027 /nfs/dbraw/zinc/56/40/27/970564027.db2.gz ZQBJNKWRRPRBPD-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NC(C)(C)COC ZINC001255944115 970576613 /nfs/dbraw/zinc/57/66/13/970576613.db2.gz RJAFVYLNXOOUMU-LBPRGKRZSA-N 1 3 230.396 2.121 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)COC ZINC001255944115 970576624 /nfs/dbraw/zinc/57/66/24/970576624.db2.gz RJAFVYLNXOOUMU-LBPRGKRZSA-N 1 3 230.396 2.121 20 0 BEADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000400480487 970587382 /nfs/dbraw/zinc/58/73/82/970587382.db2.gz FMSLVYFCBGGEGV-WOPDTQHZSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000400480478 970595105 /nfs/dbraw/zinc/59/51/05/970595105.db2.gz FMSLVYFCBGGEGV-GRYCIOLGSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1ccc(NCC2CN(C)C2)c(C[NH+](C)C)c1 ZINC001170258451 970646460 /nfs/dbraw/zinc/64/64/60/970646460.db2.gz KVTHXQQSGOOQBJ-UHFFFAOYSA-N 1 3 247.386 2.030 20 0 BEADHO C[NH+]1CCC(N2CCC3(CCC3)CC2)CC1 ZINC001256203438 970705378 /nfs/dbraw/zinc/70/53/78/970705378.db2.gz XSUFVBDIVADASE-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001256357584 970732969 /nfs/dbraw/zinc/73/29/69/970732969.db2.gz IBYATORXIZULOB-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001256357584 970732987 /nfs/dbraw/zinc/73/29/87/970732987.db2.gz IBYATORXIZULOB-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CCCC[NH+]1CCC(N[C@H]2CO[C@@H](C)C2)CC1 ZINC000401965166 970753974 /nfs/dbraw/zinc/75/39/74/970753974.db2.gz DGXWBQAENHEHDK-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCC[C@@H](N)CC3)C[C@@H]21 ZINC001246543050 972588783 /nfs/dbraw/zinc/58/87/83/972588783.db2.gz RTNFVVZKGHKUHD-LPWJVIDDSA-N 1 3 222.376 2.234 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H](N)CC3)C[C@@H]21 ZINC001246543050 972588787 /nfs/dbraw/zinc/58/87/87/972588787.db2.gz RTNFVVZKGHKUHD-LPWJVIDDSA-N 1 3 222.376 2.234 20 0 BEADHO CC(C)OCC[C@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546059 972663121 /nfs/dbraw/zinc/66/31/21/972663121.db2.gz MOGGUVIZJRYFCC-AVGNSLFASA-N 1 3 228.380 2.002 20 0 BEADHO C[C@@H](CC(F)(F)F)N1CCCC[C@@H](C[NH3+])C1 ZINC001246596750 973015387 /nfs/dbraw/zinc/01/53/87/973015387.db2.gz VJLKEMZPRRWOHH-UWVGGRQHSA-N 1 3 238.297 2.388 20 0 BEADHO CCCC[C@@H](CC(C)C)[NH+]1CC2(CNC2)C1 ZINC001246615334 973035019 /nfs/dbraw/zinc/03/50/19/973035019.db2.gz SDKPYTVPDQFSCP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CSC(C)(C)C[C@H](C)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246854705 973174407 /nfs/dbraw/zinc/17/44/07/973174407.db2.gz QQWKUJGHLLWIBQ-GMXVVIOVSA-N 1 3 242.432 2.330 20 0 BEADHO CC[C@H](CC(C)C)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867519 973235669 /nfs/dbraw/zinc/23/56/69/973235669.db2.gz OMZYGJCPVPXRMU-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@H](C)Cc1ccsc1 ZINC001329023479 973435163 /nfs/dbraw/zinc/43/51/63/973435163.db2.gz IMFQIFJRIYCTRR-WDEREUQCSA-N 1 3 226.389 2.267 20 0 BEADHO COC[C@H](C)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171613489 974116534 /nfs/dbraw/zinc/11/65/34/974116534.db2.gz LLHXAYSIWZYBQF-NSHDSACASA-N 1 3 242.407 2.262 20 0 BEADHO COC[C@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171613489 974116541 /nfs/dbraw/zinc/11/65/41/974116541.db2.gz LLHXAYSIWZYBQF-NSHDSACASA-N 1 3 242.407 2.262 20 0 BEADHO [NH3+][C@H]1CCC[C@H](N[C@H]2Cc3cccc(F)c3C2)C1 ZINC001171783119 974168703 /nfs/dbraw/zinc/16/87/03/974168703.db2.gz KMKDATUIJBEPIS-AVGNSLFASA-N 1 3 248.345 2.152 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](F)C1)C2 ZINC001172121437 974390572 /nfs/dbraw/zinc/39/05/72/974390572.db2.gz QNZIPAAUMNJECI-NDBYEHHHSA-N 1 3 226.339 2.046 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](F)C1)C2 ZINC001172121437 974390580 /nfs/dbraw/zinc/39/05/80/974390580.db2.gz QNZIPAAUMNJECI-NDBYEHHHSA-N 1 3 226.339 2.046 20 0 BEADHO CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@H](CN)C1 ZINC001173251038 975089296 /nfs/dbraw/zinc/08/92/96/975089296.db2.gz YDRWUODHYCFCPD-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CCCC[C@H](CC(C)C)[N@H+]1CCO[C@H](CN)C1 ZINC001173251038 975089300 /nfs/dbraw/zinc/08/93/00/975089300.db2.gz YDRWUODHYCFCPD-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO COc1cccc2c1CC[C@H]2NCCC(C)(C)[NH3+] ZINC001332402815 975096291 /nfs/dbraw/zinc/09/62/91/975096291.db2.gz SNXBCBHGKYKCOY-CYBMUJFWSA-N 1 3 248.370 2.400 20 0 BEADHO CCc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC001173241577 975163368 /nfs/dbraw/zinc/16/33/68/975163368.db2.gz OJKYVVIHYXRRLU-QWHCGFSZSA-N 1 3 234.387 2.364 20 0 BEADHO CCSC[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC001173297319 975183022 /nfs/dbraw/zinc/18/30/22/975183022.db2.gz DKXFEIAPBKVXFI-LLVKDONJSA-N 1 3 230.421 2.154 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278791 975235666 /nfs/dbraw/zinc/23/56/66/975235666.db2.gz FPGXTCFGWRPXFZ-APIJFGDWSA-N 1 3 236.403 2.449 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278791 975235674 /nfs/dbraw/zinc/23/56/74/975235674.db2.gz FPGXTCFGWRPXFZ-APIJFGDWSA-N 1 3 236.403 2.449 20 0 BEADHO Cc1cnccc1Nc1c[nH+]ccc1N(C)C ZINC001174536386 976816380 /nfs/dbraw/zinc/81/63/80/976816380.db2.gz CXZGALLPGXPQHG-UHFFFAOYSA-N 1 3 228.299 2.017 20 0 BEADHO C[N@H+](Cc1cc2cnccc2[nH]1)C1CCOCC1 ZINC001232011958 977837672 /nfs/dbraw/zinc/83/76/72/977837672.db2.gz QHUJDAVQCHCSEE-UHFFFAOYSA-N 1 3 245.326 2.174 20 0 BEADHO C[N@@H+](Cc1cc2cnccc2[nH]1)C1CCOCC1 ZINC001232011958 977837677 /nfs/dbraw/zinc/83/76/77/977837677.db2.gz QHUJDAVQCHCSEE-UHFFFAOYSA-N 1 3 245.326 2.174 20 0 BEADHO CC[NH+](CC)Cc1cc2cnccc2[nH]1 ZINC001232011761 977838682 /nfs/dbraw/zinc/83/86/82/977838682.db2.gz ORSRUDDLJLRXRU-UHFFFAOYSA-N 1 3 203.289 2.405 20 0 BEADHO CC(C)[C@@H](CNc1ccncc1)[NH+]1CCCC1 ZINC001336917101 978051855 /nfs/dbraw/zinc/05/18/55/978051855.db2.gz ZRGMFZDOPFPVKK-CQSZACIVSA-N 1 3 233.359 2.036 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)c1 ZINC001179818647 978760002 /nfs/dbraw/zinc/76/00/02/978760002.db2.gz ZFHBCDFYJIVSTM-BZUAXINKSA-N 1 3 244.382 2.425 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+](C2CCC2)C1 ZINC001339458380 978855430 /nfs/dbraw/zinc/85/54/30/978855430.db2.gz IYPYTFRMLARDRE-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@H+](C2CCC2)C1 ZINC001339458380 978855433 /nfs/dbraw/zinc/85/54/33/978855433.db2.gz IYPYTFRMLARDRE-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235410502 979039358 /nfs/dbraw/zinc/03/93/58/979039358.db2.gz YGCVCCVTOMHDNB-ZIAGYGMSSA-N 1 3 242.382 2.446 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235410502 979039360 /nfs/dbraw/zinc/03/93/60/979039360.db2.gz YGCVCCVTOMHDNB-ZIAGYGMSSA-N 1 3 242.382 2.446 20 0 BEADHO N[C@@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996088 979289628 /nfs/dbraw/zinc/28/96/28/979289628.db2.gz QRGICFZBAUNQRV-GOEBONIOSA-N 1 3 242.366 2.098 20 0 BEADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996088 979289641 /nfs/dbraw/zinc/28/96/41/979289641.db2.gz QRGICFZBAUNQRV-GOEBONIOSA-N 1 3 242.366 2.098 20 0 BEADHO C([C@H]1CCCCN1)[NH+]1CC2CCC(CC2)C1 ZINC001236089494 979378618 /nfs/dbraw/zinc/37/86/18/979378618.db2.gz VOWUIFFAWLJZRC-JXQTWKCFSA-N 1 3 222.376 2.251 20 0 BEADHO CNc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2N)cc1 ZINC001236218338 979454774 /nfs/dbraw/zinc/45/47/74/979454774.db2.gz SDEVTIORHRFACZ-HUUCEWRRSA-N 1 3 247.386 2.430 20 0 BEADHO CNc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)cc1 ZINC001236218338 979454781 /nfs/dbraw/zinc/45/47/81/979454781.db2.gz SDEVTIORHRFACZ-HUUCEWRRSA-N 1 3 247.386 2.430 20 0 BEADHO C[C@@H](N)C[N@H+](Cc1ccccc1)C1CCC1 ZINC001236440780 979600205 /nfs/dbraw/zinc/60/02/05/979600205.db2.gz HAACFFAXPGSQPZ-GFCCVEGCSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@@H](N)C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001236440780 979600210 /nfs/dbraw/zinc/60/02/10/979600210.db2.gz HAACFFAXPGSQPZ-GFCCVEGCSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@]1([NH3+])CCCN(Cc2ccc(O)cc2)CC1 ZINC001205263700 979805640 /nfs/dbraw/zinc/80/56/40/979805640.db2.gz BPVMXRPYUVPUFF-AWEZNQCLSA-N 1 3 234.343 2.096 20 0 BEADHO Cc1cccc(CCN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205296212 980062301 /nfs/dbraw/zinc/06/23/01/980062301.db2.gz JANOXSIQWCHLAU-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@H+]2CC[C@H](C)[C@@H](CN)C2)c1 ZINC001205296212 980062309 /nfs/dbraw/zinc/06/23/09/980062309.db2.gz JANOXSIQWCHLAU-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@@H+]2CC[C@H](C)[C@@H](CN)C2)c1 ZINC001205296212 980062319 /nfs/dbraw/zinc/06/23/19/980062319.db2.gz JANOXSIQWCHLAU-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO c1cc(C2=CCC[NH2+]C2)ncc1CN1CCCC1 ZINC001240653260 981564441 /nfs/dbraw/zinc/56/44/41/981564441.db2.gz PYXQVPIISOLKSG-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO c1ncc(C2=CCC[NH2+]C2)cc1CN1CCCC1 ZINC001240670089 981579579 /nfs/dbraw/zinc/57/95/79/981579579.db2.gz DULPQYZUEKRCLC-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO CN1CCc2ccc(C3=CCC[NH2+]C3)cc2C1 ZINC001240680627 981585728 /nfs/dbraw/zinc/58/57/28/981585728.db2.gz VUCRVWANDARZFN-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO CN1CC=C(c2cccc3c2CC[C@H]3[NH3+])CC1 ZINC001241330085 982491174 /nfs/dbraw/zinc/49/11/74/982491174.db2.gz IQJJZIIDMFTJJN-OAHLLOKOSA-N 1 3 228.339 2.352 20 0 BEADHO C[NH2+]Cc1ccccc1C1=CCN(C)CC1 ZINC001241333518 982501008 /nfs/dbraw/zinc/50/10/08/982501008.db2.gz WELPDFMWDINCSO-UHFFFAOYSA-N 1 3 216.328 2.125 20 0 BEADHO CN(C)Cc1ccnc(-c2ccc(C[NH3+])cc2)c1 ZINC001241913392 983131033 /nfs/dbraw/zinc/13/10/33/983131033.db2.gz WALUOYVDTCXOSO-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO CN1CC2(C1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201422089 983220710 /nfs/dbraw/zinc/22/07/10/983220710.db2.gz GPWCNJYIJKFTDF-CQSZACIVSA-N 1 3 234.387 2.370 20 0 BEADHO CC[C@@H](C)C[NH+]1CCC(N(C)CC)CC1 ZINC001201517246 983313381 /nfs/dbraw/zinc/31/33/81/983313381.db2.gz OSHNZFQZUIXVBW-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587736 983348649 /nfs/dbraw/zinc/34/86/49/983348649.db2.gz XFDKMCLDPCNZCF-JKSUJKDBSA-N 1 3 244.382 2.460 20 0 BEADHO CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587736 983348658 /nfs/dbraw/zinc/34/86/58/983348658.db2.gz XFDKMCLDPCNZCF-JKSUJKDBSA-N 1 3 244.382 2.460 20 0 BEADHO CCCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001201743953 983450637 /nfs/dbraw/zinc/45/06/37/983450637.db2.gz AZLAMSKOZHQDJD-KBPBESRZSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201743953 983450643 /nfs/dbraw/zinc/45/06/43/983450643.db2.gz AZLAMSKOZHQDJD-KBPBESRZSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)C1CCC1 ZINC001561053070 984014090 /nfs/dbraw/zinc/01/40/90/984014090.db2.gz RYVQAQGYUXEUHI-SCUASFONSA-N 1 3 222.376 2.105 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)C1CCC1 ZINC001561053067 984015500 /nfs/dbraw/zinc/01/55/00/984015500.db2.gz RYVQAQGYUXEUHI-DOERSZECSA-N 1 3 222.376 2.105 20 0 BEADHO C[NH2+]Cc1ccc(-c2nccc3c2CCN3)cc1 ZINC001242990316 984353620 /nfs/dbraw/zinc/35/36/20/984353620.db2.gz IDCCZCKXVCZDRH-UHFFFAOYSA-N 1 3 239.322 2.436 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC001580423468 984533473 /nfs/dbraw/zinc/53/34/73/984533473.db2.gz ZYFXFHFRLAGJTJ-KSTCHIGDSA-N 1 3 222.376 2.425 20 0 BEADHO CCN(CCSC)CC(CC)(CC)C[NH3+] ZINC001577728900 984687764 /nfs/dbraw/zinc/68/77/64/984687764.db2.gz VWEJEZKTRXJAKD-UHFFFAOYSA-N 1 3 232.437 2.436 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000691886679 984892437 /nfs/dbraw/zinc/89/24/37/984892437.db2.gz UJEPBHHWDANPAU-MCIGGMRASA-N 1 3 210.365 2.010 20 0 BEADHO CSCC[C@@H](C)N(C)CCC[NH2+]C1CC1 ZINC000156910871 985277798 /nfs/dbraw/zinc/27/77/98/985277798.db2.gz PZOUPIOWRUKOQQ-LLVKDONJSA-N 1 3 230.421 2.202 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)CCCNC1CC1 ZINC000156910871 985277825 /nfs/dbraw/zinc/27/78/25/985277825.db2.gz PZOUPIOWRUKOQQ-LLVKDONJSA-N 1 3 230.421 2.202 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)CCCNC1CC1 ZINC000156910871 985277835 /nfs/dbraw/zinc/27/78/35/985277835.db2.gz PZOUPIOWRUKOQQ-LLVKDONJSA-N 1 3 230.421 2.202 20 0 BEADHO [NH3+][C@H](CC(F)F)CN1CCC[C@H]1C1CCC1 ZINC000688242615 985584418 /nfs/dbraw/zinc/58/44/18/985584418.db2.gz VHGDVTZWLSGJEG-MNOVXSKESA-N 1 3 232.318 2.233 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)CCSC ZINC001258198114 985593682 /nfs/dbraw/zinc/59/36/82/985593682.db2.gz FZXPPNGKFDXSEN-LBPRGKRZSA-N 1 3 232.437 2.450 20 0 BEADHO [NH3+]C1(c2ccccc2C2=CNCCC2)CC1 ZINC001243952162 985662881 /nfs/dbraw/zinc/66/28/81/985662881.db2.gz MWLSIEIDHLYXIY-UHFFFAOYSA-N 1 3 214.312 2.359 20 0 BEADHO COCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC001579091014 985712857 /nfs/dbraw/zinc/71/28/57/985712857.db2.gz QOMWUFXMEHJZLS-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO Cc1cccc(C[NH2+][C@@]2(CN)CCCC[C@@H]2C)n1 ZINC001579760189 986209058 /nfs/dbraw/zinc/20/90/58/986209058.db2.gz BAMWMYMDFMASTP-SWLSCSKDSA-N 1 3 247.386 2.387 20 0 BEADHO Cc1cccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)c1 ZINC001579759493 986213517 /nfs/dbraw/zinc/21/35/17/986213517.db2.gz KRUXKIDHEBUKSW-DMRZNYOFSA-N 1 3 244.382 2.409 20 0 BEADHO F[C@]1(c2ccccc2)C[C@H]1NCC1CC[NH2+]CC1 ZINC001580026274 986423864 /nfs/dbraw/zinc/42/38/64/986423864.db2.gz BJEWLFCTGLFALQ-CABCVRRESA-N 1 3 248.345 2.213 20 0 BEADHO F[C@]1(c2ccccc2)C[C@@H]1NCC1CC[NH2+]CC1 ZINC001580026275 986428153 /nfs/dbraw/zinc/42/81/53/986428153.db2.gz BJEWLFCTGLFALQ-GJZGRUSLSA-N 1 3 248.345 2.213 20 0 BEADHO NC1CC([NH2+]CCC[C@@H]2CC2(Cl)Cl)C1 ZINC001580167015 986644911 /nfs/dbraw/zinc/64/49/11/986644911.db2.gz ZAJJGPOMOWFHHD-AFPNSQJFSA-N 1 3 237.174 2.040 20 0 BEADHO [NH3+][C@@]12CCC[C@@H]1CN(CC1CC3(CCC3)C1)C2 ZINC001580158561 986630008 /nfs/dbraw/zinc/63/00/08/986630008.db2.gz SUKBRYOTICYQAQ-UKRRQHHQSA-N 1 3 234.387 2.380 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001580286314 986732605 /nfs/dbraw/zinc/73/26/05/986732605.db2.gz CKEZVBDIUUKMDR-ZDUSSCGKSA-N 1 3 242.432 2.333 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001580286314 986732618 /nfs/dbraw/zinc/73/26/18/986732618.db2.gz CKEZVBDIUUKMDR-ZDUSSCGKSA-N 1 3 242.432 2.333 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC001580423201 986841063 /nfs/dbraw/zinc/84/10/63/986841063.db2.gz UCBQKFMGSPTIOF-JONQDZQNSA-N 1 3 244.382 2.477 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC001580423467 986841378 /nfs/dbraw/zinc/84/13/78/986841378.db2.gz ZYFXFHFRLAGJTJ-ITGHMWBKSA-N 1 3 222.376 2.425 20 0 BEADHO N[C@H]1C[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC001580430681 986848714 /nfs/dbraw/zinc/84/87/14/986848714.db2.gz VEWYXNHUKIOBDY-AZQWLYJSSA-N 1 3 234.318 2.151 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001255944782 987079655 /nfs/dbraw/zinc/07/96/55/987079655.db2.gz ZKJGBSHJHYWLJR-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657811 987288380 /nfs/dbraw/zinc/28/83/80/987288380.db2.gz AIQKXNBCFRNUME-HTXSYXIBSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657811 987288387 /nfs/dbraw/zinc/28/83/87/987288387.db2.gz AIQKXNBCFRNUME-HTXSYXIBSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C)[C@H]([NH2+]CCCCF)[C@@H]2CCCN[C@@H]21 ZINC000693662183 987313758 /nfs/dbraw/zinc/31/37/58/987313758.db2.gz FLLFWVUXEKJVNA-TUAOUCFPSA-N 1 3 228.355 2.102 20 0 BEADHO C[C@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000693679646 987313847 /nfs/dbraw/zinc/31/38/47/987313847.db2.gz QLRDQYOHZVLJLK-RUZUBIRVSA-N 1 3 236.403 2.399 20 0 BEADHO CC1CC(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000693719286 987313893 /nfs/dbraw/zinc/31/38/93/987313893.db2.gz RDMHTHFANJRMSA-MYXTYHMWSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@H](C)S1 ZINC000697059071 987346681 /nfs/dbraw/zinc/34/66/81/987346681.db2.gz WMHVRXFLUFJBDV-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CCCOC1CCC([NH2+]C2CCNCC2)CC1 ZINC001246072184 987359964 /nfs/dbraw/zinc/35/99/64/987359964.db2.gz GYMCHURZTXPWDW-UHFFFAOYSA-N 1 3 240.391 2.066 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC001246076528 987367369 /nfs/dbraw/zinc/36/73/69/987367369.db2.gz DBGGIXZOWNKDPE-INIZCTEOSA-N 1 3 244.382 2.194 20 0 BEADHO C[C@@]1([NH2+]C2CCCCCCC2)CCNC1 ZINC001246095900 987406048 /nfs/dbraw/zinc/40/60/48/987406048.db2.gz GWZAQQMIKVLJOJ-CYBMUJFWSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@H](Cc1ccco1)[NH2+]C[C@@H]1CC[C@@H](C)CN1 ZINC001246106238 987439078 /nfs/dbraw/zinc/43/90/78/987439078.db2.gz OQLPKGABNBPREF-UPJWGTAASA-N 1 3 236.359 2.188 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CCN1 ZINC001246112315 987444881 /nfs/dbraw/zinc/44/48/81/987444881.db2.gz QYZKCQZUIRYGQH-GMTAPVOTSA-N 1 3 232.318 2.152 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116403 987456121 /nfs/dbraw/zinc/45/61/21/987456121.db2.gz DWJITQKHVLKKSO-YIYPIFLZSA-N 1 3 242.407 2.168 20 0 BEADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246136398 987494718 /nfs/dbraw/zinc/49/47/18/987494718.db2.gz WTSJIXYSZFDKFS-NWDGAFQWSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)(C)C1CCC(N[C@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246146410 987502430 /nfs/dbraw/zinc/50/24/30/987502430.db2.gz ITBMOKAFRCGKTE-MOIJGLSHSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150676 987508641 /nfs/dbraw/zinc/50/86/41/987508641.db2.gz XLPXBTNZQBOPPA-VJTDZRGJSA-N 1 3 224.392 2.255 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246151081 987512052 /nfs/dbraw/zinc/51/20/52/987512052.db2.gz VXDHFRHQBWDDPM-PDWCTOEPSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001473702074 987530877 /nfs/dbraw/zinc/53/08/77/987530877.db2.gz BOAKPLVMAMDKDZ-YUELXQCFSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001473702074 987530884 /nfs/dbraw/zinc/53/08/84/987530884.db2.gz BOAKPLVMAMDKDZ-YUELXQCFSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H]1C[C@@H](NC[C@H]2CC[NH2+]2)CC(C)(C)C1 ZINC001246192671 987582109 /nfs/dbraw/zinc/58/21/09/987582109.db2.gz JHPGLFIUQJOVBS-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO Fc1ccc(CCC[NH2+]C2CCNCC2)cc1 ZINC001246203638 987600589 /nfs/dbraw/zinc/60/05/89/987600589.db2.gz CCJSXNUXJQHEFJ-UHFFFAOYSA-N 1 3 236.334 2.100 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232776 987629635 /nfs/dbraw/zinc/62/96/35/987629635.db2.gz ZRSXQOGTKRSLIJ-PEDHHIEDSA-N 1 3 222.376 2.295 20 0 BEADHO CCC1([NH2+][C@H]2CN[C@H](C)C2)CCCCC1 ZINC001246253247 987651491 /nfs/dbraw/zinc/65/14/91/987651491.db2.gz DDLJPYKBZYOWQK-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246263632 987659041 /nfs/dbraw/zinc/65/90/41/987659041.db2.gz KHETVUGRBYWJAI-PMOUVXMZSA-N 1 3 230.355 2.273 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(N)cc1 ZINC001246291269 987682772 /nfs/dbraw/zinc/68/27/72/987682772.db2.gz TUHWTVFAMJHBHK-GYSYKLTISA-N 1 3 233.359 2.060 20 0 BEADHO CC[C@H]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC001246292060 987686730 /nfs/dbraw/zinc/68/67/30/987686730.db2.gz WUXLKDWZZARFLX-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246352575 987760142 /nfs/dbraw/zinc/76/01/42/987760142.db2.gz SDHGHTPTGOMFCD-DOMZBBRYSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246358623 987768694 /nfs/dbraw/zinc/76/86/94/987768694.db2.gz GAZAVGXSJNBHAV-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246363049 987770308 /nfs/dbraw/zinc/77/03/08/987770308.db2.gz OPSPVZOOYBNHSQ-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO C([NH2+]C1CCNCC1)C1(CC2CCC2)CC1 ZINC001246375119 987775470 /nfs/dbraw/zinc/77/54/70/987775470.db2.gz HRHLTLINVNNGBH-UHFFFAOYSA-N 1 3 222.376 2.298 20 0 BEADHO CCCC1(N[C@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246387005 987778413 /nfs/dbraw/zinc/77/84/13/987778413.db2.gz QVTMWKCQFDXRBT-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO c1ccc2c(c1)CC[C@@H](CN[C@H]1CCC[NH2+]C1)C2 ZINC001246397894 987782411 /nfs/dbraw/zinc/78/24/11/987782411.db2.gz UQFOYCUPFLFKKB-CJNGLKHVSA-N 1 3 244.382 2.133 20 0 BEADHO Cc1cccc(C(C)(C)CNC2CC[NH2+]CC2)n1 ZINC001246394275 987785069 /nfs/dbraw/zinc/78/50/69/987785069.db2.gz ZHABFWIEMWAONA-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO Cc1cccc(C(C)(C)C[NH2+]C2CCNCC2)n1 ZINC001246394275 987785077 /nfs/dbraw/zinc/78/50/77/987785077.db2.gz ZHABFWIEMWAONA-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccncc2)CCN1 ZINC001246410861 987790697 /nfs/dbraw/zinc/79/06/97/987790697.db2.gz YEMGNGIQEFXSTH-GXTWGEPZSA-N 1 3 247.386 2.133 20 0 BEADHO CC(C)CCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246445426 987803463 /nfs/dbraw/zinc/80/34/63/987803463.db2.gz OCMBLVKOBNMREV-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246445426 987803461 /nfs/dbraw/zinc/80/34/61/987803461.db2.gz OCMBLVKOBNMREV-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446825 987806368 /nfs/dbraw/zinc/80/63/68/987806368.db2.gz UGCNJZDOFRQJDB-NWDGAFQWSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)=CCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446825 987806373 /nfs/dbraw/zinc/80/63/73/987806373.db2.gz UGCNJZDOFRQJDB-NWDGAFQWSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446765 987806673 /nfs/dbraw/zinc/80/66/73/987806673.db2.gz TYQVJQLOHIKWML-XQQFMLRXSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446765 987806680 /nfs/dbraw/zinc/80/66/80/987806680.db2.gz TYQVJQLOHIKWML-XQQFMLRXSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CNC3)CC(C)(C)C1 ZINC001246446373 987806988 /nfs/dbraw/zinc/80/69/88/987806988.db2.gz RVUOZNJFFHKOGN-IJLUTSLNSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)CCN1 ZINC001246451895 987810345 /nfs/dbraw/zinc/81/03/45/987810345.db2.gz IFIOPLPUHFROKX-VCTAVGKDSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246451895 987810340 /nfs/dbraw/zinc/81/03/40/987810340.db2.gz IFIOPLPUHFROKX-VCTAVGKDSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C)(N)C2)C[C@@H](C)C1 ZINC001246458506 987816857 /nfs/dbraw/zinc/81/68/57/987816857.db2.gz HAKYSZJHASUFHR-PNWMVKDVSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@]1([NH2+]C2CCC(C)CC2)CCNC1 ZINC001246459183 987817112 /nfs/dbraw/zinc/81/71/12/987817112.db2.gz JMJQNPQHLPWONF-BPCQOVAHSA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001246461678 987819709 /nfs/dbraw/zinc/81/97/09/987819709.db2.gz PEMDERSRFFMBNC-SYLRKERUSA-N 1 3 210.365 2.151 20 0 BEADHO CCC[C@@]1(C[NH2+]C2Cc3ccccc3C2)CCN1 ZINC001246461689 987820773 /nfs/dbraw/zinc/82/07/73/987820773.db2.gz PLCSZRYEGCZJNP-INIZCTEOSA-N 1 3 244.382 2.276 20 0 BEADHO CC(C)[NH2+]CCN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001246467633 987825223 /nfs/dbraw/zinc/82/52/23/987825223.db2.gz ZJJFXJNEVGWQBZ-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO CC1(C)CCC[C@H]([NH2+][C@H]2C[C@@](C)(N)C2)C1 ZINC001246466006 987826307 /nfs/dbraw/zinc/82/63/07/987826307.db2.gz UTQVHDDLLZGIFM-GMXVVIOVSA-N 1 3 210.365 2.425 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001246496633 987849894 /nfs/dbraw/zinc/84/98/94/987849894.db2.gz PEMDERSRFFMBNC-MLGHIDQZSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1C[C@@H]([NH+]2[C@H](C)CCC[C@H]2C)CCN1 ZINC001246519381 987864565 /nfs/dbraw/zinc/86/45/65/987864565.db2.gz NBIOJMORQJJEIV-LPWJVIDDSA-N 1 3 210.365 2.390 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246526271 987878755 /nfs/dbraw/zinc/87/87/55/987878755.db2.gz ADDBXTDCFWNIJW-RWMBFGLXSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246526271 987878760 /nfs/dbraw/zinc/87/87/60/987878760.db2.gz ADDBXTDCFWNIJW-RWMBFGLXSA-N 1 3 228.380 2.003 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@](C)(N)C1)CC2 ZINC001246527567 987882022 /nfs/dbraw/zinc/88/20/22/987882022.db2.gz GPYCKBPCBJSAMG-JKSUJKDBSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@](C)(N)C1)CC2 ZINC001246527567 987882024 /nfs/dbraw/zinc/88/20/24/987882024.db2.gz GPYCKBPCBJSAMG-JKSUJKDBSA-N 1 3 244.382 2.275 20 0 BEADHO CCC1CCC(N2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246533319 987891289 /nfs/dbraw/zinc/89/12/89/987891289.db2.gz MIIUJRLJKUNJHU-WXRRBKDZSA-N 1 3 222.376 2.378 20 0 BEADHO CCCCCC[C@@H](C)N1CCO[C@@H](CC[NH3+])C1 ZINC001246536658 987894587 /nfs/dbraw/zinc/89/45/87/987894587.db2.gz VULAOWJBJXVVDT-KGLIPLIRSA-N 1 3 242.407 2.395 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540747 987900876 /nfs/dbraw/zinc/90/08/76/987900876.db2.gz KATOVLKNHYSGIP-SDDRHHMPSA-N 1 3 244.448 2.433 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540747 987900880 /nfs/dbraw/zinc/90/08/80/987900880.db2.gz KATOVLKNHYSGIP-SDDRHHMPSA-N 1 3 244.448 2.433 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CCCC(C)(C)C2)C[C@H]1CN ZINC001246539306 987902836 /nfs/dbraw/zinc/90/28/36/987902836.db2.gz HMRHMIUOXIVJDM-XQQFMLRXSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CCCC(C)(C)C2)C[C@H]1CN ZINC001246539306 987902847 /nfs/dbraw/zinc/90/28/47/987902847.db2.gz HMRHMIUOXIVJDM-XQQFMLRXSA-N 1 3 224.392 2.482 20 0 BEADHO CCCCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542538 987909013 /nfs/dbraw/zinc/90/90/13/987909013.db2.gz QEWOGKAMTZZMLV-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542538 987909017 /nfs/dbraw/zinc/90/90/17/987909017.db2.gz QEWOGKAMTZZMLV-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO [NH3+][C@@H]1CCCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246542997 987913700 /nfs/dbraw/zinc/91/37/00/987913700.db2.gz QWZBYFANCUUZIX-OLZOCXBDSA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@H]1CC[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246559836 987982296 /nfs/dbraw/zinc/98/22/96/987982296.db2.gz TZIRKJMWUMGSHA-VWYCJHECSA-N 1 3 232.318 2.091 20 0 BEADHO CC(C)=CCC[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246570129 988054243 /nfs/dbraw/zinc/05/42/43/988054243.db2.gz ZOBKTRHWPMPPHV-FRRDWIJNSA-N 1 3 210.365 2.400 20 0 BEADHO CNCC[C@H](C)[N@@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001246572965 988071990 /nfs/dbraw/zinc/07/19/90/988071990.db2.gz LNHDZFKQQNZENQ-AVGNSLFASA-N 1 3 212.381 2.352 20 0 BEADHO CNCC[C@H](C)[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001246572965 988072002 /nfs/dbraw/zinc/07/20/02/988072002.db2.gz LNHDZFKQQNZENQ-AVGNSLFASA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@H](C)C2)CCN1 ZINC001246578155 988091831 /nfs/dbraw/zinc/09/18/31/988091831.db2.gz YJQMPHGCOLYBLB-SYQHCUMBSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CCN1 ZINC001246578155 988091846 /nfs/dbraw/zinc/09/18/46/988091846.db2.gz YJQMPHGCOLYBLB-SYQHCUMBSA-N 1 3 224.392 2.495 20 0 BEADHO CSCC[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246580938 988116431 /nfs/dbraw/zinc/11/64/31/988116431.db2.gz JCAFOVJBKGDBBC-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO CSCC[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246580938 988116438 /nfs/dbraw/zinc/11/64/38/988116438.db2.gz JCAFOVJBKGDBBC-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO C[C@H](Cc1ccccn1)N1CCCC[C@H](C[NH3+])C1 ZINC001246592533 988178257 /nfs/dbraw/zinc/17/82/57/988178257.db2.gz KBGCQTOZJRHHAP-ZIAGYGMSSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccccn1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246592533 988178265 /nfs/dbraw/zinc/17/82/65/988178265.db2.gz KBGCQTOZJRHHAP-ZIAGYGMSSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246592533 988178274 /nfs/dbraw/zinc/17/82/74/988178274.db2.gz KBGCQTOZJRHHAP-ZIAGYGMSSA-N 1 3 247.386 2.073 20 0 BEADHO CCCC[C@H](CCC)N1CC(C[NH2+]C)C1 ZINC001246601472 988208689 /nfs/dbraw/zinc/20/86/89/988208689.db2.gz UDYMHYYXSMPTQZ-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]23CCCNC3)C1 ZINC001246608774 988228801 /nfs/dbraw/zinc/22/88/01/988228801.db2.gz JQSFOCFCROBADP-MCIONIFRSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCCNC3)C1 ZINC001246608774 988228819 /nfs/dbraw/zinc/22/88/19/988228819.db2.gz JQSFOCFCROBADP-MCIONIFRSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H](CC1CC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246613396 988234741 /nfs/dbraw/zinc/23/47/41/988234741.db2.gz YWYDPKQYAJYZID-JSGCOSHPSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H](CC1CC1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246613396 988234757 /nfs/dbraw/zinc/23/47/57/988234757.db2.gz YWYDPKQYAJYZID-JSGCOSHPSA-N 1 3 222.376 2.393 20 0 BEADHO CC[C@@H](CC(C)C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624438 988279035 /nfs/dbraw/zinc/27/90/35/988279035.db2.gz PMGWBZZPIMGLKA-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@@H](CC(C)C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624438 988279043 /nfs/dbraw/zinc/27/90/43/988279043.db2.gz PMGWBZZPIMGLKA-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@@H](C)N1CCC2(C[NH2+]C2)C1 ZINC001246632606 988316892 /nfs/dbraw/zinc/31/68/92/988316892.db2.gz YKBJKALQFLZVEP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCC[C@@H](C)[N@@H+]1CCC2(CNC2)C1 ZINC001246632606 988316911 /nfs/dbraw/zinc/31/69/11/988316911.db2.gz YKBJKALQFLZVEP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCC[C@@H](C)[N@H+]1CCC2(CNC2)C1 ZINC001246632606 988316928 /nfs/dbraw/zinc/31/69/28/988316928.db2.gz YKBJKALQFLZVEP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCC[C@H](C)N1CCC2(C[NH2+]C2)C1 ZINC001246632607 988321541 /nfs/dbraw/zinc/32/15/41/988321541.db2.gz YKBJKALQFLZVEP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCC[C@H](C)[N@@H+]1CCC2(CNC2)C1 ZINC001246632607 988321558 /nfs/dbraw/zinc/32/15/58/988321558.db2.gz YKBJKALQFLZVEP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCC[C@H](C)[N@H+]1CCC2(CNC2)C1 ZINC001246632607 988321579 /nfs/dbraw/zinc/32/15/79/988321579.db2.gz YKBJKALQFLZVEP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636634 988328829 /nfs/dbraw/zinc/32/88/29/988328829.db2.gz DFAIOMYZQYYYNN-WISYIIOYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636634 988328840 /nfs/dbraw/zinc/32/88/40/988328840.db2.gz DFAIOMYZQYYYNN-WISYIIOYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636633 988331373 /nfs/dbraw/zinc/33/13/73/988331373.db2.gz DFAIOMYZQYYYNN-NNYUYHANSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636633 988331394 /nfs/dbraw/zinc/33/13/94/988331394.db2.gz DFAIOMYZQYYYNN-NNYUYHANSA-N 1 3 244.329 2.104 20 0 BEADHO C1C[C@@H]2[C@H](CC[N@@H+]2C2CCCCCC2)N1 ZINC001246637518 988333791 /nfs/dbraw/zinc/33/37/91/988333791.db2.gz ZIWUCUXKKPQASX-QWHCGFSZSA-N 1 3 208.349 2.145 20 0 BEADHO C1C[C@@H]2[C@H](CC[N@H+]2C2CCCCCC2)N1 ZINC001246637518 988333800 /nfs/dbraw/zinc/33/38/00/988333800.db2.gz ZIWUCUXKKPQASX-QWHCGFSZSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@H]1CC[C@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640481 988334554 /nfs/dbraw/zinc/33/45/54/988334554.db2.gz UONSFSKAHKTOKM-YFKTTZPYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640481 988334575 /nfs/dbraw/zinc/33/45/75/988334575.db2.gz UONSFSKAHKTOKM-YFKTTZPYSA-N 1 3 244.329 2.104 20 0 BEADHO CC[C@@H]1CC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640307 988336040 /nfs/dbraw/zinc/33/60/40/988336040.db2.gz SBRGLLAOYXLWIT-FDYHWXHSSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654517 988379736 /nfs/dbraw/zinc/37/97/36/988379736.db2.gz ICSDDTWLEVWPPT-QCNOEVLYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654517 988379750 /nfs/dbraw/zinc/37/97/50/988379750.db2.gz ICSDDTWLEVWPPT-QCNOEVLYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655317 988383326 /nfs/dbraw/zinc/38/33/26/988383326.db2.gz HENGGZJFUBQPRD-KVSVUVNWSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655317 988383339 /nfs/dbraw/zinc/38/33/39/988383339.db2.gz HENGGZJFUBQPRD-KVSVUVNWSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655319 988383525 /nfs/dbraw/zinc/38/35/25/988383525.db2.gz HENGGZJFUBQPRD-OBPIAQAESA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655319 988383534 /nfs/dbraw/zinc/38/35/34/988383534.db2.gz HENGGZJFUBQPRD-OBPIAQAESA-N 1 3 222.376 2.090 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659784 988392756 /nfs/dbraw/zinc/39/27/56/988392756.db2.gz HENGGZJFUBQPRD-NJMOYASZSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659784 988392769 /nfs/dbraw/zinc/39/27/69/988392769.db2.gz HENGGZJFUBQPRD-NJMOYASZSA-N 1 3 222.376 2.090 20 0 BEADHO CCCC1CCC([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001246664507 988405473 /nfs/dbraw/zinc/40/54/73/988405473.db2.gz RBIBDJYQZYOJOD-MOIJGLSHSA-N 1 3 222.376 2.234 20 0 BEADHO CCCC1CCC([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC1 ZINC001246664507 988405485 /nfs/dbraw/zinc/40/54/85/988405485.db2.gz RBIBDJYQZYOJOD-MOIJGLSHSA-N 1 3 222.376 2.234 20 0 BEADHO C[C@@H]1C[C@@H](N2CC[C@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246774102 988452742 /nfs/dbraw/zinc/45/27/42/988452742.db2.gz COTYVIFTYIEHGP-SNPRPXQTSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](c3ccncc3)C2)CCN1 ZINC001246774102 988452746 /nfs/dbraw/zinc/45/27/46/988452746.db2.gz COTYVIFTYIEHGP-SNPRPXQTSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](c3ccncc3)C2)CCN1 ZINC001246774102 988452750 /nfs/dbraw/zinc/45/27/50/988452750.db2.gz COTYVIFTYIEHGP-SNPRPXQTSA-N 1 3 245.370 2.011 20 0 BEADHO CCCC[N@H+](CCC)[C@H](C)CCNC ZINC001246773953 988452875 /nfs/dbraw/zinc/45/28/75/988452875.db2.gz DLJNWFRNIVMSQM-GFCCVEGCSA-N 1 3 200.370 2.497 20 0 BEADHO CCCC[N@@H+](CCC)[C@H](C)CCNC ZINC001246773953 988452886 /nfs/dbraw/zinc/45/28/86/988452886.db2.gz DLJNWFRNIVMSQM-GFCCVEGCSA-N 1 3 200.370 2.497 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C)NC1 ZINC001246810617 988490921 /nfs/dbraw/zinc/49/09/21/988490921.db2.gz PKQAUCABJYPPAP-AGIUHOORSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)NC1 ZINC001246810617 988490928 /nfs/dbraw/zinc/49/09/28/988490928.db2.gz PKQAUCABJYPPAP-AGIUHOORSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246811811 988497525 /nfs/dbraw/zinc/49/75/25/988497525.db2.gz XMXHUXTUYZPDAC-AVGNSLFASA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246811811 988497530 /nfs/dbraw/zinc/49/75/30/988497530.db2.gz XMXHUXTUYZPDAC-AVGNSLFASA-N 1 3 240.391 2.016 20 0 BEADHO CCC(CC)[N@H+](CC)[C@@H](C)CCNC ZINC001246838699 988521770 /nfs/dbraw/zinc/52/17/70/988521770.db2.gz DWTLEVBHJHPXBG-NSHDSACASA-N 1 3 200.370 2.495 20 0 BEADHO CCC(CC)[N@@H+](CC)[C@@H](C)CCNC ZINC001246838699 988521784 /nfs/dbraw/zinc/52/17/84/988521784.db2.gz DWTLEVBHJHPXBG-NSHDSACASA-N 1 3 200.370 2.495 20 0 BEADHO Fc1ccc([C@@H]2CCN(C3CC[NH2+]CC3)C2)cc1 ZINC001246849832 988563990 /nfs/dbraw/zinc/56/39/90/988563990.db2.gz SGYFDWFEYSHDGD-CYBMUJFWSA-N 1 3 248.345 2.367 20 0 BEADHO Fc1ccc([C@@H]2CC[N@@H+](C3CCNCC3)C2)cc1 ZINC001246849832 988563999 /nfs/dbraw/zinc/56/39/99/988563999.db2.gz SGYFDWFEYSHDGD-CYBMUJFWSA-N 1 3 248.345 2.367 20 0 BEADHO Fc1ccc([C@@H]2CC[N@H+](C3CCNCC3)C2)cc1 ZINC001246849832 988564003 /nfs/dbraw/zinc/56/40/03/988564003.db2.gz SGYFDWFEYSHDGD-CYBMUJFWSA-N 1 3 248.345 2.367 20 0 BEADHO CC[C@@H](CC(C)C)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001246867516 988620881 /nfs/dbraw/zinc/62/08/81/988620881.db2.gz OMZYGJCPVPXRMU-IHRRRGAJSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H]1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246894387 988663671 /nfs/dbraw/zinc/66/36/71/988663671.db2.gz NMNXCDDLJRNACS-XDQVBPFNSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]1C[C@@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246894388 988666302 /nfs/dbraw/zinc/66/63/02/988666302.db2.gz NMNXCDDLJRNACS-XUXIUFHCSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895952 988669748 /nfs/dbraw/zinc/66/97/48/988669748.db2.gz RKWFQJWLQWPNCK-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895952 988669753 /nfs/dbraw/zinc/66/97/53/988669753.db2.gz RKWFQJWLQWPNCK-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@H+]([C@@H]2CCN[C@@H](C)C2)C2(CC2)C1 ZINC001246895954 988671831 /nfs/dbraw/zinc/67/18/31/988671831.db2.gz RKWFQJWLQWPNCK-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@@H]2CCN[C@@H](C)C2)C2(CC2)C1 ZINC001246895954 988671838 /nfs/dbraw/zinc/67/18/38/988671838.db2.gz RKWFQJWLQWPNCK-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO C1CC[C@H]2[C@H](C1)CCCN2[C@H]1CCC[NH2+]C1 ZINC001246918889 988732130 /nfs/dbraw/zinc/73/21/30/988732130.db2.gz HBTGAYJPEGRVRI-RDBSUJKOSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941460 988772495 /nfs/dbraw/zinc/77/24/95/988772495.db2.gz LADGKAAKUXQXKK-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941460 988772504 /nfs/dbraw/zinc/77/25/04/988772504.db2.gz LADGKAAKUXQXKK-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CCCC[C@H](CCC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946815 988781666 /nfs/dbraw/zinc/78/16/66/988781666.db2.gz HVFDKURMROLXKI-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO CCCCCC[C@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246951296 988784336 /nfs/dbraw/zinc/78/43/36/988784336.db2.gz ZWDXXSDBXKYWKQ-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)cs1 ZINC001119348188 988990193 /nfs/dbraw/zinc/99/01/93/988990193.db2.gz YHBLHLKHKWSIQL-VXGBXAGGSA-N 1 3 224.373 2.416 20 0 BEADHO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001325627777 989218519 /nfs/dbraw/zinc/21/85/19/989218519.db2.gz WLXKRTVGBLSDPK-LRDDRELGSA-N 1 3 244.382 2.405 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C/C=C\C1CC1 ZINC001326036392 989336736 /nfs/dbraw/zinc/33/67/36/989336736.db2.gz QKTGMJYVULWBSQ-DLRQAJBASA-N 1 3 245.370 2.466 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(F)c3)[C@@H]2C1 ZINC001308554301 991034850 /nfs/dbraw/zinc/03/48/50/991034850.db2.gz NVQJHFJYTGZLGU-NWANDNLSSA-N 1 3 248.345 2.256 20 0 BEADHO C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258188507 991102170 /nfs/dbraw/zinc/10/21/70/991102170.db2.gz LJIZJNKPLWMBAL-MCIONIFRSA-N 1 3 248.370 2.094 20 0 BEADHO C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258188507 991102177 /nfs/dbraw/zinc/10/21/77/991102177.db2.gz LJIZJNKPLWMBAL-MCIONIFRSA-N 1 3 248.370 2.094 20 0 BEADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601153 991505917 /nfs/dbraw/zinc/50/59/17/991505917.db2.gz QHHIWLOWSILSNZ-RDBSUJKOSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601153 991505923 /nfs/dbraw/zinc/50/59/23/991505923.db2.gz QHHIWLOWSILSNZ-RDBSUJKOSA-N 1 3 236.403 2.449 20 0 BEADHO CCC[C@H](Cc1ccccc1)[NH2+]C1CC(N)C1 ZINC001258650724 991586991 /nfs/dbraw/zinc/58/69/91/991586991.db2.gz BUSYIXUUDLWSQH-SHARSMKWSA-N 1 3 232.371 2.477 20 0 BEADHO CCC[C@H](Cc1ccccc1)NC1CC([NH3+])C1 ZINC001258650724 991586998 /nfs/dbraw/zinc/58/69/98/991586998.db2.gz BUSYIXUUDLWSQH-SHARSMKWSA-N 1 3 232.371 2.477 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001561052479 991706313 /nfs/dbraw/zinc/70/63/13/991706313.db2.gz BZENTAHWHLDEKX-FAAHXZRKSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001561052480 991707820 /nfs/dbraw/zinc/70/78/20/991707820.db2.gz BZENTAHWHLDEKX-NMFUWQPSSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)C1CCC1 ZINC001561053639 991709297 /nfs/dbraw/zinc/70/92/97/991709297.db2.gz XZYWYUREPOJRHZ-APIJFGDWSA-N 1 3 236.403 2.495 20 0 BEADHO COc1ccccc1C[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001258886784 991886936 /nfs/dbraw/zinc/88/69/36/991886936.db2.gz UBKBTNGEZZGDSJ-FPMFFAJLSA-N 1 3 248.370 2.096 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)n1ccc(CN)n1 ZINC001258898698 991896319 /nfs/dbraw/zinc/89/63/19/991896319.db2.gz PGLAQYUHGPILRO-GFCCVEGCSA-N 1 3 238.379 2.025 20 0 BEADHO CC(C)(C)OC1CCC([NH2+][C@H]2CCNC2)CC1 ZINC001573469476 992614946 /nfs/dbraw/zinc/61/49/46/992614946.db2.gz PWRKWVOBFKUARZ-CPCZMJQVSA-N 1 3 240.391 2.064 20 0 BEADHO CC(C)([NH3+])CCNCc1cccc2cc[nH]c21 ZINC001575354212 993019165 /nfs/dbraw/zinc/01/91/65/993019165.db2.gz IJLAGICHEKEQRE-UHFFFAOYSA-N 1 3 231.343 2.385 20 0 BEADHO CC(C)[C@H](CN)C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC001575422905 993042677 /nfs/dbraw/zinc/04/26/77/993042677.db2.gz OFXSFZYJSWVVCJ-NXEZZACHSA-N 1 3 234.334 2.098 20 0 BEADHO CC(C)C1CC(N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1 ZINC001575499643 993060024 /nfs/dbraw/zinc/06/00/24/993060024.db2.gz VLXYKDYKQXCJJK-GMZKHCIJSA-N 1 3 224.392 2.397 20 0 BEADHO CC(C)C1CC(N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 ZINC001575499647 993060337 /nfs/dbraw/zinc/06/03/37/993060337.db2.gz VLXYKDYKQXCJJK-KPHYFBGPSA-N 1 3 224.392 2.397 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/C1CC1 ZINC000379287571 993238065 /nfs/dbraw/zinc/23/80/65/993238065.db2.gz HTJDQOZOPFIPOP-GFSGRHGLSA-N 1 3 208.349 2.060 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C/C1CC1 ZINC000379287571 993238070 /nfs/dbraw/zinc/23/80/70/993238070.db2.gz HTJDQOZOPFIPOP-GFSGRHGLSA-N 1 3 208.349 2.060 20 0 BEADHO C[C@H](CC1CC1)[N@@H+]1CCCC[C@H](CN)C1 ZINC000379855305 993286935 /nfs/dbraw/zinc/28/69/35/993286935.db2.gz BSZWEZJIMBIUCZ-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](CC1CC1)[N@H+]1CCCC[C@H](CN)C1 ZINC000379855305 993286941 /nfs/dbraw/zinc/28/69/41/993286941.db2.gz BSZWEZJIMBIUCZ-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(C)C1 ZINC000380184470 993318859 /nfs/dbraw/zinc/31/88/59/993318859.db2.gz MRUQDWFFGCWINF-OTTFEQOBSA-N 1 3 212.381 2.495 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C1CC(C)C1 ZINC000380184462 993320852 /nfs/dbraw/zinc/32/08/52/993320852.db2.gz MRUQDWFFGCWINF-CPCZMJQVSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576588578 993359007 /nfs/dbraw/zinc/35/90/07/993359007.db2.gz BUKAKPVVHFVGJM-WYUUTHIRSA-N 1 3 210.365 2.281 20 0 BEADHO CC1CC(C[NH2+]C[C@]2(C)CCCNC2)C1 ZINC001576597130 993361328 /nfs/dbraw/zinc/36/13/28/993361328.db2.gz CIMZWCFGEZCVGA-WXRRBKDZSA-N 1 3 210.365 2.012 20 0 BEADHO C[C@@H]1CC(CC[NH2+]CC(C)(C)CN)C[C@@H](C)O1 ZINC001576599862 993364731 /nfs/dbraw/zinc/36/47/31/993364731.db2.gz VYKOLVVETDXNML-VXGBXAGGSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]1C[C@@H](NC/C=C/C2CC2)CC[N@@H+]1C ZINC000382312865 993448702 /nfs/dbraw/zinc/44/87/02/993448702.db2.gz QPCUKPDTDLLCIG-WTQORWENSA-N 1 3 208.349 2.025 20 0 BEADHO C[C@@H]1C[C@@H](NC/C=C/C2CC2)CC[N@H+]1C ZINC000382312865 993448709 /nfs/dbraw/zinc/44/87/09/993448709.db2.gz QPCUKPDTDLLCIG-WTQORWENSA-N 1 3 208.349 2.025 20 0 BEADHO CC[C@@H]([NH3+])CNC1CC(C)(c2ccccc2)C1 ZINC001577124571 993512242 /nfs/dbraw/zinc/51/22/42/993512242.db2.gz IQIBDWYHBZVZJW-WLYUNCDWSA-N 1 3 232.371 2.434 20 0 BEADHO CC[C@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](N)C1 ZINC001577254367 993563396 /nfs/dbraw/zinc/56/33/96/993563396.db2.gz JVGQQARKDPIACJ-CYDGBPFRSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCNC[C@@H](C)C2)c1 ZINC000385299373 993657316 /nfs/dbraw/zinc/65/73/16/993657316.db2.gz KPWVWEHBRDUOAC-CYBMUJFWSA-N 1 3 232.371 2.345 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCNC[C@@H](C)C2)c1 ZINC000385299373 993657320 /nfs/dbraw/zinc/65/73/20/993657320.db2.gz KPWVWEHBRDUOAC-CYBMUJFWSA-N 1 3 232.371 2.345 20 0 BEADHO N#Cc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000386338135 993685541 /nfs/dbraw/zinc/68/55/41/993685541.db2.gz LDDNTCPFYKSRAP-HNNXBMFYSA-N 1 3 243.354 2.119 20 0 BEADHO CCCSC[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001577597360 993691117 /nfs/dbraw/zinc/69/11/17/993691117.db2.gz YZNRSBYGDRVKAB-QJPTWQEYSA-N 1 3 230.421 2.378 20 0 BEADHO Cc1cncc(C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000387373265 993709322 /nfs/dbraw/zinc/70/93/22/993709322.db2.gz GJLUMAHWOQNGHB-UHFFFAOYSA-N 1 3 247.386 2.352 20 0 BEADHO C[C@H]1CCC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000390672437 993799306 /nfs/dbraw/zinc/79/93/06/993799306.db2.gz VYEUAEJBXIIJEN-RYUDHWBXSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000390672435 993800448 /nfs/dbraw/zinc/80/04/48/993800448.db2.gz VYEUAEJBXIIJEN-NEPJUHHUSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000390672436 993801031 /nfs/dbraw/zinc/80/10/31/993801031.db2.gz VYEUAEJBXIIJEN-NWDGAFQWSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1 ZINC000821987591 994415233 /nfs/dbraw/zinc/41/52/33/994415233.db2.gz FKPLGBWADRRZNP-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCc2ccccc21 ZINC001334389932 994590719 /nfs/dbraw/zinc/59/07/19/994590719.db2.gz KJPHHWZTUQXFDS-JGGQBBKZSA-N 1 3 244.382 2.447 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC/C=C/C2CC2)C1 ZINC001334742622 994627826 /nfs/dbraw/zinc/62/78/26/994627826.db2.gz JQTRFVOKYMMJLA-OOPCZODUSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001621570551 1170163370 /nfs/dbraw/zinc/16/33/70/1170163370.db2.gz XACUCJSLKICMMB-UQOMUDLDSA-N 1 3 236.403 2.495 20 0 BEADHO Cc1nc([C@H](C)NCCCC[NH3+])c(C)s1 ZINC000037715235 1170964545 /nfs/dbraw/zinc/96/45/45/1170964545.db2.gz DZOZOBPXZZTZCC-QMMMGPOBSA-N 1 3 227.377 2.149 20 0 BEADHO CN(CC[C@@H]1CCCC[NH2+]1)CC(C)(C)C ZINC000045074019 1171433333 /nfs/dbraw/zinc/43/33/33/1171433333.db2.gz HVVYVVRRZQGXGY-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCCC1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC000049545614 1171704070 /nfs/dbraw/zinc/70/40/70/1171704070.db2.gz PUIZFAZRLVHFNE-CPCZMJQVSA-N 1 3 210.365 2.378 20 0 BEADHO Cc1cccc(CC[N@H+]2CCNC[C@H](C)C2)c1 ZINC000051670990 1171908969 /nfs/dbraw/zinc/90/89/69/1171908969.db2.gz AUZHUQHRUBGPHH-AWEZNQCLSA-N 1 3 232.371 2.079 20 0 BEADHO Cc1cccc(CC[N@@H+]2CCNC[C@H](C)C2)c1 ZINC000051670990 1171908975 /nfs/dbraw/zinc/90/89/75/1171908975.db2.gz AUZHUQHRUBGPHH-AWEZNQCLSA-N 1 3 232.371 2.079 20 0 BEADHO CCc1ccc(CN2CCC(C[NH3+])CC2)o1 ZINC000051726105 1171913584 /nfs/dbraw/zinc/91/35/84/1171913584.db2.gz RTCCVAGBTFKLAZ-UHFFFAOYSA-N 1 3 222.332 2.013 20 0 BEADHO CCCC[NH+]1CCC(N[C@H](CC)COC)CC1 ZINC000079712275 136210466 /nfs/dbraw/zinc/21/04/66/136210466.db2.gz DBBGUFDIWZLABK-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO CO[C@H](CN1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000379241321 398141337 /nfs/dbraw/zinc/14/13/37/398141337.db2.gz WZKTUCDRJVNGKP-UMVBOHGHSA-N 1 3 248.370 2.043 20 0 BEADHO CN(CC[C@H]1CCC[N@@H+]1C)CC1CCC1 ZINC000161798622 349499620 /nfs/dbraw/zinc/49/96/20/349499620.db2.gz GKRSXFCFEKUFKA-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CN(CC[C@H]1CCC[N@H+]1C)CC1CCC1 ZINC000161798622 349499625 /nfs/dbraw/zinc/49/96/25/349499625.db2.gz GKRSXFCFEKUFKA-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1ccc(CCNC[C@@]2(C)CC[NH2+]C2)c(C)c1 ZINC000415089583 398159562 /nfs/dbraw/zinc/15/95/62/398159562.db2.gz NTLNKODTPRWMPI-MRXNPFEDSA-N 1 3 246.398 2.435 20 0 BEADHO Cc1ccc(CCNC[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000415089581 398159792 /nfs/dbraw/zinc/15/97/92/398159792.db2.gz NTLNKODTPRWMPI-INIZCTEOSA-N 1 3 246.398 2.435 20 0 BEADHO C[C@@H](Cc1ccsc1)NCCC[NH2+]C1CC1 ZINC000382548223 398183474 /nfs/dbraw/zinc/18/34/74/398183474.db2.gz QWZOHHNVLSJIHF-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+]CCCNC1CC1 ZINC000382548223 398183481 /nfs/dbraw/zinc/18/34/81/398183481.db2.gz QWZOHHNVLSJIHF-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO Cc1ccccc1OCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422943960 398160237 /nfs/dbraw/zinc/16/02/37/398160237.db2.gz LSNUCHAEAFPQTP-KBPBESRZSA-N 1 3 248.370 2.091 20 0 BEADHO CCc1cnccc1[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423019931 398161190 /nfs/dbraw/zinc/16/11/90/398161190.db2.gz XVYVBJLLAAZTNT-UTUOFQBUSA-N 1 3 235.375 2.420 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCN1)C1C(C)(C)C1(C)C ZINC000423233166 398165148 /nfs/dbraw/zinc/16/51/48/398165148.db2.gz JIBRNIHBPCBFJL-WDEREUQCSA-N 1 3 224.392 2.399 20 0 BEADHO CCC[C@@H](CNC[C@@H](C)C[NH+]1CCCC1)OC ZINC000386162610 398198815 /nfs/dbraw/zinc/19/88/15/398198815.db2.gz VDNCLZARAJGCFH-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@@H](C)CN1CCCC1)OC ZINC000386162610 398198819 /nfs/dbraw/zinc/19/88/19/398198819.db2.gz VDNCLZARAJGCFH-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@@H](C)C[NH+]1CCCC1)OC ZINC000386162615 398198950 /nfs/dbraw/zinc/19/89/50/398198950.db2.gz VDNCLZARAJGCFH-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](C[NH2+]C[C@@H](C)CN1CCCC1)OC ZINC000386162615 398198954 /nfs/dbraw/zinc/19/89/54/398198954.db2.gz VDNCLZARAJGCFH-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647801160 398207609 /nfs/dbraw/zinc/20/76/09/398207609.db2.gz PZJIBIHRUHKRNL-XZDPQHSOSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647801157 398207770 /nfs/dbraw/zinc/20/77/70/398207770.db2.gz PZJIBIHRUHKRNL-DTZQCDIJSA-N 1 3 244.382 2.378 20 0 BEADHO [NH3+]CC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000070169342 398221636 /nfs/dbraw/zinc/22/16/36/398221636.db2.gz NACZYFVJAJJUKD-GFCCVEGCSA-N 1 3 236.334 2.387 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000576458083 365600941 /nfs/dbraw/zinc/60/09/41/365600941.db2.gz IEDJYQUGLXFICV-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000576458086 365601053 /nfs/dbraw/zinc/60/10/53/365601053.db2.gz IEDJYQUGLXFICV-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](Cc1cccs1)NCC1([NH3+])CCC1 ZINC000643517913 398231030 /nfs/dbraw/zinc/23/10/30/398231030.db2.gz YFLKIHYRZIWDDT-SNVBAGLBSA-N 1 3 224.373 2.150 20 0 BEADHO Cc1cc([C@H](C)NCCC[NH3+])c(C)s1 ZINC000037713512 178247211 /nfs/dbraw/zinc/24/72/11/178247211.db2.gz VNKPRLKQNZPBSA-VIFPVBQESA-N 1 3 212.362 2.364 20 0 BEADHO CCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000174949731 259311027 /nfs/dbraw/zinc/31/10/27/259311027.db2.gz OVGZZTOFLTZDQC-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000174949731 259311029 /nfs/dbraw/zinc/31/10/29/259311029.db2.gz OVGZZTOFLTZDQC-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000174949731 259311030 /nfs/dbraw/zinc/31/10/30/259311030.db2.gz OVGZZTOFLTZDQC-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000174949731 259311032 /nfs/dbraw/zinc/31/10/32/259311032.db2.gz OVGZZTOFLTZDQC-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+]1CCSC(C)(C)C1 ZINC000162215743 349590069 /nfs/dbraw/zinc/59/00/69/349590069.db2.gz VMEGRCVMRPROSO-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+]1CCSC(C)(C)C1 ZINC000162215743 349590072 /nfs/dbraw/zinc/59/00/72/349590072.db2.gz VMEGRCVMRPROSO-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO CC(C)CCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000179308173 538954905 /nfs/dbraw/zinc/95/49/05/538954905.db2.gz KXLVTLPPFRZHAV-ZDUSSCGKSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)CCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000179308173 538954907 /nfs/dbraw/zinc/95/49/07/538954907.db2.gz KXLVTLPPFRZHAV-ZDUSSCGKSA-N 1 3 212.381 2.449 20 0 BEADHO C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000348109803 136234343 /nfs/dbraw/zinc/23/43/43/136234343.db2.gz ZITBKZLCCIZSGY-TUVASFSCSA-N 1 3 234.387 2.391 20 0 BEADHO CCC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166563957 361851624 /nfs/dbraw/zinc/85/16/24/361851624.db2.gz OLEZZIJKLHVHHJ-GFCCVEGCSA-N 1 3 200.370 2.495 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+]CCCN ZINC000166663794 361854632 /nfs/dbraw/zinc/85/46/32/361854632.db2.gz BPEMVRAAUAUBHF-QMMMGPOBSA-N 1 3 212.259 2.046 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934828 342728322 /nfs/dbraw/zinc/72/83/22/342728322.db2.gz XSOPXYLORMYQND-BPUTZDHNSA-N 1 3 244.382 2.461 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934828 342728323 /nfs/dbraw/zinc/72/83/23/342728323.db2.gz XSOPXYLORMYQND-BPUTZDHNSA-N 1 3 244.382 2.461 20 0 BEADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934828 342728324 /nfs/dbraw/zinc/72/83/24/342728324.db2.gz XSOPXYLORMYQND-BPUTZDHNSA-N 1 3 244.382 2.461 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H]1C ZINC000083389771 398280684 /nfs/dbraw/zinc/28/06/84/398280684.db2.gz NUVFNGJUGRABEX-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000395092564 398299303 /nfs/dbraw/zinc/29/93/03/398299303.db2.gz AKLPFUDCGRHELJ-MNOVXSKESA-N 1 3 200.370 2.386 20 0 BEADHO CCC[C@H](C)CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625096966 342852247 /nfs/dbraw/zinc/85/22/47/342852247.db2.gz HSDDUOVEMFXCHE-MELADBBJSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1ccccc1CCCN(C)CCC[NH3+] ZINC000382086419 398305064 /nfs/dbraw/zinc/30/50/64/398305064.db2.gz UZGILMHWOAKWFH-UHFFFAOYSA-N 1 3 220.360 2.208 20 0 BEADHO Cc1ccccc1CCC[N@H+](C)CCCN ZINC000382086419 398305066 /nfs/dbraw/zinc/30/50/66/398305066.db2.gz UZGILMHWOAKWFH-UHFFFAOYSA-N 1 3 220.360 2.208 20 0 BEADHO Cc1ccccc1CCC[N@@H+](C)CCCN ZINC000382086419 398305067 /nfs/dbraw/zinc/30/50/67/398305067.db2.gz UZGILMHWOAKWFH-UHFFFAOYSA-N 1 3 220.360 2.208 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000037467901 342932695 /nfs/dbraw/zinc/93/26/95/342932695.db2.gz REJUNCGUGJNFLX-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[N@@H+]1CC[C@H](NC2CC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000353589579 187208883 /nfs/dbraw/zinc/20/88/83/187208883.db2.gz QPASCCIQXJCPGO-WOPDTQHZSA-N 1 3 244.329 2.247 20 0 BEADHO C[N@H+]1CC[C@H](NC2CC(F)(F)C2)[C@H]2CCC[C@@H]21 ZINC000353589579 187208885 /nfs/dbraw/zinc/20/88/85/187208885.db2.gz QPASCCIQXJCPGO-WOPDTQHZSA-N 1 3 244.329 2.247 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000235179443 342990045 /nfs/dbraw/zinc/99/00/45/342990045.db2.gz KQYHCJBEQRIMEK-RYUDHWBXSA-N 1 3 230.421 2.379 20 0 BEADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000044534341 343009032 /nfs/dbraw/zinc/00/90/32/343009032.db2.gz HLBWHADIAQDQGD-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO Cc1ccc(CNC[C@H]2CCC[N@H+](C)C2)s1 ZINC000044534341 343009033 /nfs/dbraw/zinc/00/90/33/343009033.db2.gz HLBWHADIAQDQGD-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO CC(C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246986825 343011727 /nfs/dbraw/zinc/01/17/27/343011727.db2.gz WETHOZHNAZOARE-JSGCOSHPSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246986825 343011729 /nfs/dbraw/zinc/01/17/29/343011729.db2.gz WETHOZHNAZOARE-JSGCOSHPSA-N 1 3 222.376 2.344 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000235465809 343038924 /nfs/dbraw/zinc/03/89/24/343038924.db2.gz HHWRWHNIUYVHAH-IWSPIJDZSA-N 1 3 224.270 2.187 20 0 BEADHO CC1(C)OCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000328202296 187229831 /nfs/dbraw/zinc/22/98/31/187229831.db2.gz GINKHGGATGJTGF-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](NCCCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386593046 343078914 /nfs/dbraw/zinc/07/89/14/343078914.db2.gz RYXIFBASAVJXLA-ZJUUUORDSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@H](NCCCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386593045 343078735 /nfs/dbraw/zinc/07/87/35/343078735.db2.gz RYXIFBASAVJXLA-VHSXEESVSA-N 1 3 238.297 2.449 20 0 BEADHO COCc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093214621 343150880 /nfs/dbraw/zinc/15/08/80/343150880.db2.gz DDLVOUMZEQGFMK-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000093209415 343151129 /nfs/dbraw/zinc/15/11/29/343151129.db2.gz AUUPBNPVJDPSPD-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(F)cc2)C1 ZINC000093209415 343151131 /nfs/dbraw/zinc/15/11/31/343151131.db2.gz AUUPBNPVJDPSPD-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000093210091 343151223 /nfs/dbraw/zinc/15/12/23/343151223.db2.gz MJSZYFRIPVKXIC-LSDHHAIUSA-N 1 3 232.371 2.479 20 0 BEADHO CN(Cc1cccc2ncccc12)C1CC([NH3+])C1 ZINC000634688549 343249014 /nfs/dbraw/zinc/24/90/14/343249014.db2.gz WCKGRDQWXZKLGE-UHFFFAOYSA-N 1 3 241.338 2.156 20 0 BEADHO CCC1([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000335626661 136299903 /nfs/dbraw/zinc/29/99/03/136299903.db2.gz VYUCOWCTGSNKEO-RYUDHWBXSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000335626661 136299904 /nfs/dbraw/zinc/29/99/04/136299904.db2.gz VYUCOWCTGSNKEO-RYUDHWBXSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000335626661 136299905 /nfs/dbraw/zinc/29/99/05/136299905.db2.gz VYUCOWCTGSNKEO-RYUDHWBXSA-N 1 3 208.349 2.145 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CCNCC1 ZINC000335650431 136304789 /nfs/dbraw/zinc/30/47/89/136304789.db2.gz OJLUEJOCRCJSCD-CYBMUJFWSA-N 1 3 230.355 2.058 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2CNC1CC[NH2+]CC1 ZINC000335650431 136304790 /nfs/dbraw/zinc/30/47/90/136304790.db2.gz OJLUEJOCRCJSCD-CYBMUJFWSA-N 1 3 230.355 2.058 20 0 BEADHO C1[C@@H]([NH2+]C2CCNCC2)[C@@H]1C1CCCCC1 ZINC000335650720 136304994 /nfs/dbraw/zinc/30/49/94/136304994.db2.gz XUQFUYGXJHWPBD-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO C1[C@@H](NC2CC[NH2+]CC2)[C@@H]1C1CCCCC1 ZINC000335650720 136304995 /nfs/dbraw/zinc/30/49/95/136304995.db2.gz XUQFUYGXJHWPBD-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO CCN(CCC[NH+](C)C)CC1(OC)CCCC1 ZINC000349420107 136345457 /nfs/dbraw/zinc/34/54/57/136345457.db2.gz QFOZWESFISTCCN-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO CC1=C[C@@H](C)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000335891856 136358895 /nfs/dbraw/zinc/35/88/95/136358895.db2.gz AYVKIMNBQWTOCX-TZMCWYRMSA-N 1 3 222.376 2.369 20 0 BEADHO CC1=C[C@@H](C)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000335891856 136358896 /nfs/dbraw/zinc/35/88/96/136358896.db2.gz AYVKIMNBQWTOCX-TZMCWYRMSA-N 1 3 222.376 2.369 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000258748563 136373904 /nfs/dbraw/zinc/37/39/04/136373904.db2.gz ACCZTTQNTQRXLG-VHSXEESVSA-N 1 3 210.346 2.026 20 0 BEADHO CCCCC[N@H+](CCCNC)C(C)C ZINC000042559239 343443468 /nfs/dbraw/zinc/44/34/68/343443468.db2.gz ZEUSLKDXSHODBW-UHFFFAOYSA-N 1 3 200.370 2.497 20 0 BEADHO CCCCC[N@@H+](CCCNC)C(C)C ZINC000042559239 343443471 /nfs/dbraw/zinc/44/34/71/343443471.db2.gz ZEUSLKDXSHODBW-UHFFFAOYSA-N 1 3 200.370 2.497 20 0 BEADHO CSC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000602922603 349812256 /nfs/dbraw/zinc/81/22/56/349812256.db2.gz KTJGAYPEGHPHIV-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000602922603 349812259 /nfs/dbraw/zinc/81/22/59/349812259.db2.gz KTJGAYPEGHPHIV-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@H](CCN(C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049551804 343602089 /nfs/dbraw/zinc/60/20/89/343602089.db2.gz XBJOQDNULBSRLW-SNVBAGLBSA-N 1 3 242.313 2.395 20 0 BEADHO Cc1ccnc([C@@H](C)NCCCC[NH+](C)C)c1 ZINC000286365601 187345410 /nfs/dbraw/zinc/34/54/10/187345410.db2.gz ZJGMQXADZNYUKO-CYBMUJFWSA-N 1 3 235.375 2.382 20 0 BEADHO C/C=C\CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000384648558 343702201 /nfs/dbraw/zinc/70/22/01/343702201.db2.gz ABXPOWKYNNQWGV-URFMKQJRSA-N 1 3 208.349 2.073 20 0 BEADHO Cc1ccc2c(c1)[C@@H](N[C@H](C)CCC[NH3+])CO2 ZINC000576458584 343750801 /nfs/dbraw/zinc/75/08/01/343750801.db2.gz OXVNPAIDJVDZPE-YPMHNXCESA-N 1 3 234.343 2.146 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000387661119 346994859 /nfs/dbraw/zinc/99/48/59/346994859.db2.gz HLONGKNINXWJNM-MROQNXINSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)N(C)CCC[NH2+]CC1(C)CCC1 ZINC000336716109 537824586 /nfs/dbraw/zinc/82/45/86/537824586.db2.gz XEYMOPFCUNMIEQ-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C(CC1CC1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000128060033 187285656 /nfs/dbraw/zinc/28/56/56/187285656.db2.gz JWXWUZWMLFWAES-STQMWFEESA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000128060033 187285658 /nfs/dbraw/zinc/28/56/58/187285658.db2.gz JWXWUZWMLFWAES-STQMWFEESA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128060033 187285660 /nfs/dbraw/zinc/28/56/60/187285660.db2.gz JWXWUZWMLFWAES-STQMWFEESA-N 1 3 208.349 2.003 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000634733166 344108181 /nfs/dbraw/zinc/10/81/81/344108181.db2.gz YSCXOPCDSQLTJC-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H](C)C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733416 344113187 /nfs/dbraw/zinc/11/31/87/344113187.db2.gz FFVBXQFBOBYKMV-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000093977906 344150594 /nfs/dbraw/zinc/15/05/94/344150594.db2.gz WFDMGXKNUNUYAG-CYZMBNFOSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(F)cc1F ZINC000584285623 344419823 /nfs/dbraw/zinc/41/98/23/344419823.db2.gz VMPIVKFNKSBTDD-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000584285623 344419824 /nfs/dbraw/zinc/41/98/24/344419824.db2.gz VMPIVKFNKSBTDD-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000336775442 537847108 /nfs/dbraw/zinc/84/71/08/537847108.db2.gz ZARUZAPKYKPJOW-ZIAGYGMSSA-N 1 3 220.360 2.027 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@@H]1CCCNC1 ZINC000573967519 344580058 /nfs/dbraw/zinc/58/00/58/344580058.db2.gz SOZKQKOMJUXOMT-UMSGYPCISA-N 1 3 228.355 2.245 20 0 BEADHO CCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158485064 344661708 /nfs/dbraw/zinc/66/17/08/344661708.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158485064 344661710 /nfs/dbraw/zinc/66/17/10/344661710.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158485064 344661711 /nfs/dbraw/zinc/66/17/11/344661711.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158485064 344661712 /nfs/dbraw/zinc/66/17/12/344661712.db2.gz AHGYQMWZVZSQAH-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO C1C[C@H]([NH2+][C@H]2CCNC2)C2(C1)CCCCC2 ZINC000313024771 187294809 /nfs/dbraw/zinc/29/48/09/187294809.db2.gz NKXDUEBTVUIQCV-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCN4CCC[C@@H]4C3)[C@@H]12 ZINC000306073403 187295347 /nfs/dbraw/zinc/29/53/47/187295347.db2.gz DNFJOCUWIWKGKC-QKGCVVFFSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000224982341 345062712 /nfs/dbraw/zinc/06/27/12/345062712.db2.gz IKGMGMPMCWKKNN-UONOGXRCSA-N 1 3 242.407 2.299 20 0 BEADHO CC(C)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248167081 345063824 /nfs/dbraw/zinc/06/38/24/345063824.db2.gz TYFVEOHVWGMFQO-QWHCGFSZSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248167081 345063826 /nfs/dbraw/zinc/06/38/26/345063826.db2.gz TYFVEOHVWGMFQO-QWHCGFSZSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248167081 345063828 /nfs/dbraw/zinc/06/38/28/345063828.db2.gz TYFVEOHVWGMFQO-QWHCGFSZSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248167081 345063829 /nfs/dbraw/zinc/06/38/29/345063829.db2.gz TYFVEOHVWGMFQO-QWHCGFSZSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248167082 345064030 /nfs/dbraw/zinc/06/40/30/345064030.db2.gz TYFVEOHVWGMFQO-STQMWFEESA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248167082 345064033 /nfs/dbraw/zinc/06/40/33/345064033.db2.gz TYFVEOHVWGMFQO-STQMWFEESA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248167082 345064035 /nfs/dbraw/zinc/06/40/35/345064035.db2.gz TYFVEOHVWGMFQO-STQMWFEESA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248167082 345064039 /nfs/dbraw/zinc/06/40/39/345064039.db2.gz TYFVEOHVWGMFQO-STQMWFEESA-N 1 3 210.365 2.059 20 0 BEADHO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000390230672 259382876 /nfs/dbraw/zinc/38/28/76/259382876.db2.gz GQEXCQOICCQCFD-UWVGGRQHSA-N 1 3 220.307 2.139 20 0 BEADHO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H]2CCCC[C@@H]21 ZINC000634992813 345188034 /nfs/dbraw/zinc/18/80/34/345188034.db2.gz BJLICCOUVDWCAO-HNBOJAAESA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@H+](CC23CC(C2)CN3)[C@@H]2CCCC[C@@H]21 ZINC000634992813 345188037 /nfs/dbraw/zinc/18/80/37/345188037.db2.gz BJLICCOUVDWCAO-HNBOJAAESA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@@H+](CC23CC(C2)CN3)[C@@H]2CCCC[C@@H]21 ZINC000634992813 345188039 /nfs/dbraw/zinc/18/80/39/345188039.db2.gz BJLICCOUVDWCAO-HNBOJAAESA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@H]2CCCC[C@H]12 ZINC000634992815 345188072 /nfs/dbraw/zinc/18/80/72/345188072.db2.gz BJLICCOUVDWCAO-YPHRVZEWSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@H+](CC23CC(C2)CN3)[C@H]2CCCC[C@H]12 ZINC000634992815 345188075 /nfs/dbraw/zinc/18/80/75/345188075.db2.gz BJLICCOUVDWCAO-YPHRVZEWSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@@H+](CC23CC(C2)CN3)[C@H]2CCCC[C@H]12 ZINC000634992815 345188076 /nfs/dbraw/zinc/18/80/76/345188076.db2.gz BJLICCOUVDWCAO-YPHRVZEWSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H]2CCCC[C@H]21 ZINC000634992814 345188308 /nfs/dbraw/zinc/18/83/08/345188308.db2.gz BJLICCOUVDWCAO-NSWUILHUSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@H+](CC23CC(C2)CN3)[C@@H]2CCCC[C@H]21 ZINC000634992814 345188309 /nfs/dbraw/zinc/18/83/09/345188309.db2.gz BJLICCOUVDWCAO-NSWUILHUSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@@H+](CC23CC(C2)CN3)[C@@H]2CCCC[C@H]21 ZINC000634992814 345188311 /nfs/dbraw/zinc/18/83/11/345188311.db2.gz BJLICCOUVDWCAO-NSWUILHUSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1CCCC[C@@]1(C)NCC12CC(C1)C[NH2+]2 ZINC000634996573 345188663 /nfs/dbraw/zinc/18/86/63/345188663.db2.gz OERJCNYONGASKY-NELGMTEASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CN(Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000634998093 345197440 /nfs/dbraw/zinc/19/74/40/345197440.db2.gz ANHCOFUNYRDIIL-VXGBXAGGSA-N 1 3 244.338 2.459 20 0 BEADHO C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C[NH3+] ZINC000634998231 345198359 /nfs/dbraw/zinc/19/83/59/345198359.db2.gz CITPPGOSINXVLR-IEOKHJKGSA-N 1 3 230.355 2.226 20 0 BEADHO COc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C ZINC000634999692 345200005 /nfs/dbraw/zinc/20/00/05/345200005.db2.gz XXQRNWAPZOPSER-TZMCWYRMSA-N 1 3 248.370 2.030 20 0 BEADHO CC[C@H](N[C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000635004483 345207783 /nfs/dbraw/zinc/20/77/83/345207783.db2.gz PFSUHTUTAFZJAG-RWMBFGLXSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000635004483 345207784 /nfs/dbraw/zinc/20/77/84/345207784.db2.gz PFSUHTUTAFZJAG-RWMBFGLXSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCC(C)(C)F ZINC000635004484 345207849 /nfs/dbraw/zinc/20/78/49/345207849.db2.gz PIKIRKRKDPLWOD-SECBINFHSA-N 1 3 239.338 2.247 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@H]1C[C@H]1C ZINC000635004764 345208387 /nfs/dbraw/zinc/20/83/87/345208387.db2.gz DXGHRNMIGISELR-XQHKEYJVSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004852 345208399 /nfs/dbraw/zinc/20/83/99/345208399.db2.gz QKHONVYSVKKMBT-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004855 345208798 /nfs/dbraw/zinc/20/87/98/345208798.db2.gz QKHONVYSVKKMBT-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1nccs1 ZINC000635006772 345211267 /nfs/dbraw/zinc/21/12/67/345211267.db2.gz NMYFGMGBZZKWDV-GMTAPVOTSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635010077 345211944 /nfs/dbraw/zinc/21/19/44/345211944.db2.gz XYXZJZPIJCJWOG-RWMBFGLXSA-N 1 3 247.386 2.301 20 0 BEADHO COCCC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635010539 345212696 /nfs/dbraw/zinc/21/26/96/345212696.db2.gz KCJPBQAVPDBFGF-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2cccnc2c1 ZINC000635020072 345223042 /nfs/dbraw/zinc/22/30/42/345223042.db2.gz JPJUARNHGKMZPP-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO CCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632174 345488593 /nfs/dbraw/zinc/48/85/93/345488593.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632174 345488595 /nfs/dbraw/zinc/48/85/95/345488595.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000081632174 345488596 /nfs/dbraw/zinc/48/85/96/345488596.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000081632174 345488598 /nfs/dbraw/zinc/48/85/98/345488598.db2.gz VONPVOBDSDIYSW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634503 345488883 /nfs/dbraw/zinc/48/88/83/345488883.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634503 345488884 /nfs/dbraw/zinc/48/88/84/345488884.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000081634503 345488888 /nfs/dbraw/zinc/48/88/88/345488888.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000081634503 345488892 /nfs/dbraw/zinc/48/88/92/345488892.db2.gz FWQPWETUNNWRKW-AWEZNQCLSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000380295992 345469740 /nfs/dbraw/zinc/46/97/40/345469740.db2.gz CRWGXPQTHBWECT-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccnc2ccccc12 ZINC000136136275 345480117 /nfs/dbraw/zinc/48/01/17/345480117.db2.gz AOOHPKZBXCSNQB-LLVKDONJSA-N 1 3 229.327 2.062 20 0 BEADHO CC(C)[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000381366679 345558873 /nfs/dbraw/zinc/55/88/73/345558873.db2.gz DZPATAKZUAEDTD-CQSZACIVSA-N 1 3 222.376 2.273 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000336697915 187307613 /nfs/dbraw/zinc/30/76/13/187307613.db2.gz OLNSSCLEFZDSOX-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000231440420 345752711 /nfs/dbraw/zinc/75/27/11/345752711.db2.gz XMMRKWIARHBJQY-AAEUAGOBSA-N 1 3 206.333 2.383 20 0 BEADHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000562960243 345840030 /nfs/dbraw/zinc/84/00/30/345840030.db2.gz LYJGHGILMKNJHJ-DOMZBBRYSA-N 1 3 248.370 2.221 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422252 179034956 /nfs/dbraw/zinc/03/49/56/179034956.db2.gz CHZDBOHGPLXYHG-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CC1(C)CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000669378801 537970939 /nfs/dbraw/zinc/97/09/39/537970939.db2.gz NWLVUTACWKBOKG-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CC[NH+](C[C@@H]2CCCCNC2)CC1 ZINC000669378801 537970943 /nfs/dbraw/zinc/97/09/43/537970943.db2.gz NWLVUTACWKBOKG-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000107935072 179080482 /nfs/dbraw/zinc/08/04/82/179080482.db2.gz BPSLYPCHBVNWEJ-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000126889038 179082685 /nfs/dbraw/zinc/08/26/85/179082685.db2.gz ZFEKOWXRNGNBGA-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000574981066 346488349 /nfs/dbraw/zinc/48/83/49/346488349.db2.gz WOFODTDJNBOYJT-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO CC[NH2+]CCCN[C@@H]1CC[C@H]1C1CCC1 ZINC000574981066 346488352 /nfs/dbraw/zinc/48/83/52/346488352.db2.gz WOFODTDJNBOYJT-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO CCNCCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000574981067 346488410 /nfs/dbraw/zinc/48/84/10/346488410.db2.gz WOFODTDJNBOYJT-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO CC[NH2+]CCCN[C@H]1CC[C@H]1C1CCC1 ZINC000574981067 346488414 /nfs/dbraw/zinc/48/84/14/346488414.db2.gz WOFODTDJNBOYJT-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@H](C)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004474 370654050 /nfs/dbraw/zinc/65/40/50/370654050.db2.gz PGYLMEFOGKNULV-AVGNSLFASA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)(C)CCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622003474 370654261 /nfs/dbraw/zinc/65/42/61/370654261.db2.gz AGMNJRNFQMNLGX-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000582063403 347157572 /nfs/dbraw/zinc/15/75/72/347157572.db2.gz CPBZSQGDRWUSMP-LBPRGKRZSA-N 1 3 241.338 2.391 20 0 BEADHO Cc1cccc([C@@H](C)[N@@H+]2CCCO[C@H](CN)C2)c1 ZINC000313352782 179179657 /nfs/dbraw/zinc/17/96/57/179179657.db2.gz LTDOBSNNVSFANF-UKRRQHHQSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1cccc([C@@H](C)[N@H+]2CCCO[C@H](CN)C2)c1 ZINC000313352782 179179658 /nfs/dbraw/zinc/17/96/58/179179658.db2.gz LTDOBSNNVSFANF-UKRRQHHQSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1cc(CNC(C)(C)CCC[NH+](C)C)on1 ZINC000395668449 362793775 /nfs/dbraw/zinc/79/37/75/362793775.db2.gz KRHKQWNGHHYFLA-UHFFFAOYSA-N 1 3 239.363 2.193 20 0 BEADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000085734150 347240567 /nfs/dbraw/zinc/24/05/67/347240567.db2.gz JPLCKFBXJXXXFV-ZIAGYGMSSA-N 1 3 222.376 2.108 20 0 BEADHO Cc1ccccc1CC[NH2+]C[C@@H]1CCCNC1 ZINC000132283950 179266288 /nfs/dbraw/zinc/26/62/88/179266288.db2.gz WWENZJHFZDHLMN-CQSZACIVSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1ccccc1CCNC[C@@H]1CCC[NH2+]C1 ZINC000132283950 179266290 /nfs/dbraw/zinc/26/62/90/179266290.db2.gz WWENZJHFZDHLMN-CQSZACIVSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000094182727 179267855 /nfs/dbraw/zinc/26/78/55/179267855.db2.gz KSNYARNHFBWAAD-GJZGRUSLSA-N 1 3 232.371 2.255 20 0 BEADHO CCS[C@@H]1CCCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000592477064 347791365 /nfs/dbraw/zinc/79/13/65/347791365.db2.gz QYLYNUMHGZSOEE-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO Cc1ccccc1OCCN1CCC(C[NH3+])CC1 ZINC000011889101 179311381 /nfs/dbraw/zinc/31/13/81/179311381.db2.gz MJWCSYMLRCEXRR-UHFFFAOYSA-N 1 3 248.370 2.045 20 0 BEADHO CCSCCNCCC[N@H+](C)CC(C)C ZINC000593645467 347926331 /nfs/dbraw/zinc/92/63/31/347926331.db2.gz JDONKXIGMTYHQC-UHFFFAOYSA-N 1 3 232.437 2.307 20 0 BEADHO CCSCCNCCC[N@@H+](C)CC(C)C ZINC000593645467 347926333 /nfs/dbraw/zinc/92/63/33/347926333.db2.gz JDONKXIGMTYHQC-UHFFFAOYSA-N 1 3 232.437 2.307 20 0 BEADHO CCSCC[NH2+]CCCN(C)CC(C)C ZINC000593645467 347926334 /nfs/dbraw/zinc/92/63/34/347926334.db2.gz JDONKXIGMTYHQC-UHFFFAOYSA-N 1 3 232.437 2.307 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577482029 365954469 /nfs/dbraw/zinc/95/44/69/365954469.db2.gz QYLFJAZPGMANPI-IUCAKERBSA-N 1 3 228.286 2.450 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038041299 348038358 /nfs/dbraw/zinc/03/83/58/348038358.db2.gz IIMWOEUUFIHKLW-GFCCVEGCSA-N 1 3 248.370 2.488 20 0 BEADHO C[C@H]1C[C@H](C)C[NH+](CCSCCN(C)C)C1 ZINC000594889278 348122967 /nfs/dbraw/zinc/12/29/67/348122967.db2.gz AJEBHLHOBDLZQB-STQMWFEESA-N 1 3 244.448 2.259 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCNC[C@H]1C ZINC000395136331 323188774 /nfs/dbraw/zinc/18/87/74/323188774.db2.gz RTLRVQBKVZSEJH-UTUOFQBUSA-N 1 3 212.381 2.399 20 0 BEADHO CSCC1(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000596648943 348604243 /nfs/dbraw/zinc/60/42/43/348604243.db2.gz BOEUWFLMZBKRME-VXGBXAGGSA-N 1 3 242.432 2.237 20 0 BEADHO CSCC1(CC[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000596649691 348605037 /nfs/dbraw/zinc/60/50/37/348605037.db2.gz FEQMKWNHSRQPPL-GHMZBOCLSA-N 1 3 230.421 2.235 20 0 BEADHO CSCC1(CC[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000596649693 348605427 /nfs/dbraw/zinc/60/54/27/348605427.db2.gz FEQMKWNHSRQPPL-QWRGUYRKSA-N 1 3 230.421 2.235 20 0 BEADHO CCc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000250453236 349171181 /nfs/dbraw/zinc/17/11/81/349171181.db2.gz ZVZJRIJMNSQSRI-GHMZBOCLSA-N 1 3 238.400 2.480 20 0 BEADHO CC[C@@H](NCCCC[NH3+])c1ccc(F)cn1 ZINC000161321801 349421479 /nfs/dbraw/zinc/42/14/79/349421479.db2.gz CVHPCHHKZZKKGR-LLVKDONJSA-N 1 3 225.311 2.000 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)CC1CC1 ZINC000131442183 191015090 /nfs/dbraw/zinc/01/50/90/191015090.db2.gz DVDNHUCXJYKLFI-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCN1CCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336771595 538057973 /nfs/dbraw/zinc/05/79/73/538057973.db2.gz USIYZGYEJVTXJZ-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C(C)C)C1 ZINC000151105522 191060050 /nfs/dbraw/zinc/06/00/50/191060050.db2.gz NMLVNUJEHIOCNI-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000125013983 191080180 /nfs/dbraw/zinc/08/01/80/191080180.db2.gz VNBPPOWUMQAXHP-CQSZACIVSA-N 1 3 249.402 2.235 20 0 BEADHO C[C@H](CCc1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108265952 350347582 /nfs/dbraw/zinc/34/75/82/350347582.db2.gz DGNQKOXZPNHBLQ-FVQBIDKESA-N 1 3 244.382 2.159 20 0 BEADHO CCC(CC)(CC)C[NH2+]C[C@H](C)CN ZINC000391130394 350465920 /nfs/dbraw/zinc/46/59/20/350465920.db2.gz GBSRHPWICBAIEA-LLVKDONJSA-N 1 3 200.370 2.387 20 0 BEADHO CC1(C)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000061820111 350527502 /nfs/dbraw/zinc/52/75/02/350527502.db2.gz PWMKNYUHMNVLTR-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@@H]1CCCN1 ZINC000400656595 362963287 /nfs/dbraw/zinc/96/32/87/362963287.db2.gz RAVSBGBICMONQP-SRVKXCTJSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)=CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000228840968 191108002 /nfs/dbraw/zinc/10/80/02/191108002.db2.gz AWPLBJJNGHPMOS-MCIONIFRSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccccc1 ZINC000422742903 192469344 /nfs/dbraw/zinc/46/93/44/192469344.db2.gz HFMFHXXJCVJXHV-SRVKXCTJSA-N 1 3 206.333 2.463 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000336683717 350919801 /nfs/dbraw/zinc/91/98/01/350919801.db2.gz ZIJBGEABSBEWRO-AVGNSLFASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336683717 350919803 /nfs/dbraw/zinc/91/98/03/350919803.db2.gz ZIJBGEABSBEWRO-AVGNSLFASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336683717 350919805 /nfs/dbraw/zinc/91/98/05/350919805.db2.gz ZIJBGEABSBEWRO-AVGNSLFASA-N 1 3 222.376 2.391 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336711665 191126431 /nfs/dbraw/zinc/12/64/31/191126431.db2.gz UNVDTPIAWDIJFD-FRRDWIJNSA-N 1 3 212.381 2.351 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+]CCCNC1CC1 ZINC000382576734 350881389 /nfs/dbraw/zinc/88/13/89/350881389.db2.gz GNTVSXQZTFNTOA-LBPRGKRZSA-N 1 3 236.359 2.332 20 0 BEADHO C[C@@H](CCc1ccco1)NCCC[NH2+]C1CC1 ZINC000382576734 350881392 /nfs/dbraw/zinc/88/13/92/350881392.db2.gz GNTVSXQZTFNTOA-LBPRGKRZSA-N 1 3 236.359 2.332 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000252715906 538100669 /nfs/dbraw/zinc/10/06/69/538100669.db2.gz XAYYSTZSAJEYPP-YUTCNCBUSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000088162889 351671746 /nfs/dbraw/zinc/67/17/46/351671746.db2.gz SMPRYMGHYAGJJI-UHTWSYAYSA-N 1 3 210.365 2.425 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000414792922 351772983 /nfs/dbraw/zinc/77/29/83/351772983.db2.gz JIWLQKJZWVLZOB-TZMCWYRMSA-N 1 3 236.334 2.351 20 0 BEADHO CC(C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169231699 535170758 /nfs/dbraw/zinc/17/07/58/535170758.db2.gz ACTKCCVGUYWYCS-OLZOCXBDSA-N 1 3 204.317 2.377 20 0 BEADHO CC[C@@H](C)[C@H](C[NH2+]CCCN(C)C(C)C)OC ZINC000638337033 352155392 /nfs/dbraw/zinc/15/53/92/352155392.db2.gz BOUGLVCJNMSXDN-KGLIPLIRSA-N 1 3 244.423 2.367 20 0 BEADHO CCC[C@@H](CNC[C@H]1CC[N@H+](CCC)C1)OC ZINC000638410036 352217590 /nfs/dbraw/zinc/21/75/90/352217590.db2.gz TYLJAJMWWOJSKD-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](CNC[C@H]1CC[N@@H+](CCC)C1)OC ZINC000638410036 352217593 /nfs/dbraw/zinc/21/75/93/352217593.db2.gz TYLJAJMWWOJSKD-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@H]1CCN(CCC)C1)OC ZINC000638410036 352217595 /nfs/dbraw/zinc/21/75/95/352217595.db2.gz TYLJAJMWWOJSKD-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638452124 352262298 /nfs/dbraw/zinc/26/22/98/352262298.db2.gz VEEOBYDUOOGSTM-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1CN ZINC000630074881 363158603 /nfs/dbraw/zinc/15/86/03/363158603.db2.gz BWSIEDPMSRPRGH-SWLSCSKDSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1CN ZINC000630074881 363158606 /nfs/dbraw/zinc/15/86/06/363158606.db2.gz BWSIEDPMSRPRGH-SWLSCSKDSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@H]1CN(Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000630074881 363158609 /nfs/dbraw/zinc/15/86/09/363158609.db2.gz BWSIEDPMSRPRGH-SWLSCSKDSA-N 1 3 244.382 2.202 20 0 BEADHO Cc1ccsc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000044535261 352352042 /nfs/dbraw/zinc/35/20/42/352352042.db2.gz HUXGGGFSKHVCBI-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO Cc1ccsc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000044535261 352352045 /nfs/dbraw/zinc/35/20/45/352352045.db2.gz HUXGGGFSKHVCBI-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO C[C@@H](C[NH3+])N[C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414947156 352370707 /nfs/dbraw/zinc/37/07/07/352370707.db2.gz URZRHEBMPYVICX-VTPLQMEGSA-N 1 3 218.344 2.115 20 0 BEADHO C[C@@H](C[NH3+])N[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414947154 352370791 /nfs/dbraw/zinc/37/07/91/352370791.db2.gz URZRHEBMPYVICX-CDGCEXEKSA-N 1 3 218.344 2.115 20 0 BEADHO C[C@@H](C[NH3+])N[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414947153 352370849 /nfs/dbraw/zinc/37/08/49/352370849.db2.gz URZRHEBMPYVICX-AUZPSNTRSA-N 1 3 218.344 2.115 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H]1CCC[C@@H](C)C1 ZINC000414955621 352374671 /nfs/dbraw/zinc/37/46/71/352374671.db2.gz MIMRHDPVBFORFV-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(CN2CCC[C@H](C[NH3+])C2)s1 ZINC000044527730 352654930 /nfs/dbraw/zinc/65/49/30/352654930.db2.gz XLGIBSYEMBNIGU-LLVKDONJSA-N 1 3 224.373 2.227 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304644198 352736272 /nfs/dbraw/zinc/73/62/72/352736272.db2.gz XHFIRKZAOWCESN-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336650894 188011378 /nfs/dbraw/zinc/01/13/78/188011378.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336650894 188011380 /nfs/dbraw/zinc/01/13/80/188011380.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000336650894 188011381 /nfs/dbraw/zinc/01/13/81/188011381.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000336650894 188011383 /nfs/dbraw/zinc/01/13/83/188011383.db2.gz UFIONESPTZCDTM-CYBMUJFWSA-N 1 3 210.365 2.059 20 0 BEADHO CCCCOCCN1CCC(C[NH+](C)C)CC1 ZINC000341178357 188044280 /nfs/dbraw/zinc/04/42/80/188044280.db2.gz VIZCGVQWGDMNBO-UHFFFAOYSA-N 1 3 242.407 2.077 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340254708 188035413 /nfs/dbraw/zinc/03/54/13/188035413.db2.gz FKYLTDAEYWDBMA-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCOC2(C)C)C1 ZINC000340254708 188035415 /nfs/dbraw/zinc/03/54/15/188035415.db2.gz FKYLTDAEYWDBMA-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO CNC[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC000414846775 259434095 /nfs/dbraw/zinc/43/40/95/259434095.db2.gz VEORWQPAWOGFJI-CPCZMJQVSA-N 1 3 212.381 2.258 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@H]2CCC=CO2)CC1 ZINC000050267749 188045950 /nfs/dbraw/zinc/04/59/50/188045950.db2.gz ZRTWOPNPBSJQMO-CQSZACIVSA-N 1 3 238.375 2.142 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N)[C@H](C)C2)C1 ZINC000251718415 353287816 /nfs/dbraw/zinc/28/78/16/353287816.db2.gz ILBOPLDSZVRMND-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N)[C@H](C)C2)C1 ZINC000251718415 353287818 /nfs/dbraw/zinc/28/78/18/353287818.db2.gz ILBOPLDSZVRMND-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000251718415 353287819 /nfs/dbraw/zinc/28/78/19/353287819.db2.gz ILBOPLDSZVRMND-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227665935 188253872 /nfs/dbraw/zinc/25/38/72/188253872.db2.gz CXZRGFALEOHGSN-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227665935 188253874 /nfs/dbraw/zinc/25/38/74/188253874.db2.gz CXZRGFALEOHGSN-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000251834495 353292954 /nfs/dbraw/zinc/29/29/54/353292954.db2.gz QFISPLDUTYATLE-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000251834495 353292956 /nfs/dbraw/zinc/29/29/56/353292956.db2.gz QFISPLDUTYATLE-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970280 353294366 /nfs/dbraw/zinc/29/43/66/353294366.db2.gz YCWOXAIQSXHGFV-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970280 353294368 /nfs/dbraw/zinc/29/43/68/353294368.db2.gz YCWOXAIQSXHGFV-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO CCCC[C@H](CC)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283177 538116312 /nfs/dbraw/zinc/11/63/12/538116312.db2.gz JKDGBULEUOPIDQ-MELADBBJSA-N 1 3 224.392 2.354 20 0 BEADHO C(C[NH2+]C1CC2(CCC2)C1)CN1CCCC1 ZINC000309340072 188344924 /nfs/dbraw/zinc/34/49/24/188344924.db2.gz KWJUBNHJYHQDPQ-UHFFFAOYSA-N 1 3 222.376 2.395 20 0 BEADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2CC2)C1 ZINC000336710416 188358806 /nfs/dbraw/zinc/35/88/06/188358806.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2CC2)C1 ZINC000336710416 188358808 /nfs/dbraw/zinc/35/88/08/188358808.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000336710416 188358810 /nfs/dbraw/zinc/35/88/10/188358810.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000336710416 188358811 /nfs/dbraw/zinc/35/88/11/188358811.db2.gz YYVXWPOAHDMOOT-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH3+] ZINC000252368453 363230245 /nfs/dbraw/zinc/23/02/45/363230245.db2.gz OXJYWERKFNGMGY-UONOGXRCSA-N 1 3 218.344 2.246 20 0 BEADHO Fc1ccccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000082554243 181011439 /nfs/dbraw/zinc/01/14/39/181011439.db2.gz DCPDPAUTFJVXIF-UHFFFAOYSA-N 1 3 248.345 2.401 20 0 BEADHO CCC[C@H](C[N@H+](C)CCCN1CCCC1)OC ZINC000639132483 353842018 /nfs/dbraw/zinc/84/20/18/353842018.db2.gz OXMHJDXAIAXNLM-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCC[C@H](C[N@@H+](C)CCCN1CCCC1)OC ZINC000639132483 353842019 /nfs/dbraw/zinc/84/20/19/353842019.db2.gz OXMHJDXAIAXNLM-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO C[C@H]1C[C@H]1CN(C)CCC[NH+]1CCCC1 ZINC000343614029 353933711 /nfs/dbraw/zinc/93/37/11/353933711.db2.gz IPDSJZKCPKORNS-STQMWFEESA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+]C1CCNCC1 ZINC000038040708 358482479 /nfs/dbraw/zinc/48/24/79/358482479.db2.gz OXLJIAUWRDGAGR-CYBMUJFWSA-N 1 3 232.371 2.349 20 0 BEADHO C[C@H](CCc1ccccc1)NC1CC[NH2+]CC1 ZINC000038040708 358482481 /nfs/dbraw/zinc/48/24/81/358482481.db2.gz OXLJIAUWRDGAGR-CYBMUJFWSA-N 1 3 232.371 2.349 20 0 BEADHO CC[C@H](C)[C@H](CN(CC)CCC[NH+](C)C)OC ZINC000639175023 354190688 /nfs/dbraw/zinc/19/06/88/354190688.db2.gz GNOBGTUDKUDURI-KBPBESRZSA-N 1 3 244.423 2.321 20 0 BEADHO CCC[C@@H](C)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000231463797 363344955 /nfs/dbraw/zinc/34/49/55/363344955.db2.gz KPBLXDDUQMBHBY-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000231463797 363344959 /nfs/dbraw/zinc/34/49/59/363344959.db2.gz KPBLXDDUQMBHBY-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccn1 ZINC000335080891 354643033 /nfs/dbraw/zinc/64/30/33/354643033.db2.gz YVDWSKAIEPBHPA-SWLSCSKDSA-N 1 3 245.370 2.174 20 0 BEADHO CCc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccn1 ZINC000335080891 354643036 /nfs/dbraw/zinc/64/30/36/354643036.db2.gz YVDWSKAIEPBHPA-SWLSCSKDSA-N 1 3 245.370 2.174 20 0 BEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCCC1 ZINC000232981143 363390488 /nfs/dbraw/zinc/39/04/88/363390488.db2.gz RMVBBGMJKONWEV-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](N)C1 ZINC000346034017 354862421 /nfs/dbraw/zinc/86/24/21/354862421.db2.gz DQZGZHSCMXTHEQ-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](N)C1 ZINC000346034017 354862425 /nfs/dbraw/zinc/86/24/25/354862425.db2.gz DQZGZHSCMXTHEQ-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO CC(C)C1CC(N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000335174027 354940624 /nfs/dbraw/zinc/94/06/24/354940624.db2.gz MUCMFTKQRGXWPY-XVSSEFHLSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CCOC1 ZINC000166059217 354954761 /nfs/dbraw/zinc/95/47/61/354954761.db2.gz MUOOIXVAXABZBU-IDTSFGKNSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CCOC1 ZINC000166059447 354954772 /nfs/dbraw/zinc/95/47/72/354954772.db2.gz MUOOIXVAXABZBU-LWWSYDQCSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CCCO1 ZINC000346559515 354968521 /nfs/dbraw/zinc/96/85/21/354968521.db2.gz OOEUZKWYGZFRKV-DGAVXFQQSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000346559515 354968523 /nfs/dbraw/zinc/96/85/23/354968523.db2.gz OOEUZKWYGZFRKV-DGAVXFQQSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000335204525 355039704 /nfs/dbraw/zinc/03/97/04/355039704.db2.gz NZPLRDGYJWCREB-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000335204525 355039706 /nfs/dbraw/zinc/03/97/06/355039706.db2.gz NZPLRDGYJWCREB-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[NH2+]CCN(C)c1ccnc2ccc(C)cc21 ZINC000420231104 192180369 /nfs/dbraw/zinc/18/03/69/192180369.db2.gz ZTACLCPRMTZXNC-UHFFFAOYSA-N 1 3 229.327 2.199 20 0 BEADHO CCCCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000040506804 358493882 /nfs/dbraw/zinc/49/38/82/358493882.db2.gz IFZFBRCSFFJZCR-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CCCCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000040506804 358493884 /nfs/dbraw/zinc/49/38/84/358493884.db2.gz IFZFBRCSFFJZCR-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CCCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000040506697 358494222 /nfs/dbraw/zinc/49/42/22/358494222.db2.gz XOILBOAVUPQEOE-AGUYFDCRSA-N 1 3 240.391 2.018 20 0 BEADHO CCCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000040506697 358494226 /nfs/dbraw/zinc/49/42/26/358494226.db2.gz XOILBOAVUPQEOE-AGUYFDCRSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000346869030 355158081 /nfs/dbraw/zinc/15/80/81/355158081.db2.gz KDXPHBUAKQZPEO-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000346869030 355158084 /nfs/dbraw/zinc/15/80/84/355158084.db2.gz KDXPHBUAKQZPEO-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO C1CC1[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000335252440 355207484 /nfs/dbraw/zinc/20/74/84/355207484.db2.gz PHGDWRJMMREHRO-TZMCWYRMSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000346965931 355173031 /nfs/dbraw/zinc/17/30/31/355173031.db2.gz CELFRZSTANHTBY-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346965931 355173033 /nfs/dbraw/zinc/17/30/33/355173033.db2.gz CELFRZSTANHTBY-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000335256231 355189492 /nfs/dbraw/zinc/18/94/92/355189492.db2.gz FDJAELUVTCOHTB-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000347000065 355196856 /nfs/dbraw/zinc/19/68/56/355196856.db2.gz YKRJHKIOIJPCIJ-KFWWJZLASA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000347000065 355196858 /nfs/dbraw/zinc/19/68/58/355196858.db2.gz YKRJHKIOIJPCIJ-KFWWJZLASA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CS[C@@H](C)C1 ZINC000639290068 355444434 /nfs/dbraw/zinc/44/44/34/355444434.db2.gz PTSRBDLLOLSHAA-QWHCGFSZSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CS[C@@H](C)C1 ZINC000639290068 355444437 /nfs/dbraw/zinc/44/44/37/355444437.db2.gz PTSRBDLLOLSHAA-QWHCGFSZSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639290068 355444439 /nfs/dbraw/zinc/44/44/39/355444439.db2.gz PTSRBDLLOLSHAA-QWHCGFSZSA-N 1 3 244.448 2.448 20 0 BEADHO CN1CCC2(CCC[N@@H+]2Cc2ccco2)CC1 ZINC000335792388 355445307 /nfs/dbraw/zinc/44/53/07/355445307.db2.gz OAKVNOPCVWZXBN-UHFFFAOYSA-N 1 3 234.343 2.340 20 0 BEADHO CN1CCC2(CCC[N@H+]2Cc2ccco2)CC1 ZINC000335792388 355445308 /nfs/dbraw/zinc/44/53/08/355445308.db2.gz OAKVNOPCVWZXBN-UHFFFAOYSA-N 1 3 234.343 2.340 20 0 BEADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000261569440 535285530 /nfs/dbraw/zinc/28/55/30/535285530.db2.gz JUHMPSMLHJAUNA-RBSFLKMASA-N 1 3 248.370 2.128 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+]CCCNC ZINC000414859349 191604018 /nfs/dbraw/zinc/60/40/18/191604018.db2.gz MOIOYRMSZGAQHK-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCNC1 ZINC000414881436 191613482 /nfs/dbraw/zinc/61/34/82/191613482.db2.gz KZULKNWMIJSKHV-BDAKNGLRSA-N 1 3 224.270 2.059 20 0 BEADHO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H](C)CN ZINC000414880435 191613573 /nfs/dbraw/zinc/61/35/73/191613573.db2.gz QRDSVZDVXNIXHA-NWDGAFQWSA-N 1 3 238.350 2.331 20 0 BEADHO c1ccc2c(c1)CC[C@H](NCC[C@H]1CCC[NH2+]1)C2 ZINC000414912995 191622508 /nfs/dbraw/zinc/62/25/08/191622508.db2.gz ZFTRZLMDKKLALL-CVEARBPZSA-N 1 3 244.382 2.276 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CCCCF)C1 ZINC000352031257 134044709 /nfs/dbraw/zinc/04/47/09/134044709.db2.gz ZHICPUFROUQVQA-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCF)C1 ZINC000352031257 134044710 /nfs/dbraw/zinc/04/47/10/134044710.db2.gz ZHICPUFROUQVQA-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000352031257 134044711 /nfs/dbraw/zinc/04/47/11/134044711.db2.gz ZHICPUFROUQVQA-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352031257 134044712 /nfs/dbraw/zinc/04/47/12/134044712.db2.gz ZHICPUFROUQVQA-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO Cc1cccc(CC[NH2+][C@H](C)C[C@@H](C)N)c1 ZINC000422853521 192488270 /nfs/dbraw/zinc/48/82/70/192488270.db2.gz YZQSOPVBLLIKMC-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1cccc(CCN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422853521 192488273 /nfs/dbraw/zinc/48/82/73/192488273.db2.gz YZQSOPVBLLIKMC-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC000352030398 134045148 /nfs/dbraw/zinc/04/51/48/134045148.db2.gz VTAMLQPSGYXJRA-STQMWFEESA-N 1 3 230.371 2.398 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352030398 134045149 /nfs/dbraw/zinc/04/51/49/134045149.db2.gz VTAMLQPSGYXJRA-STQMWFEESA-N 1 3 230.371 2.398 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CC1(F)F ZINC000639347485 355793897 /nfs/dbraw/zinc/79/38/97/355793897.db2.gz ODVUMYZZZGKQRS-SRVKXCTJSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CC1(F)F ZINC000639347485 355793901 /nfs/dbraw/zinc/79/39/01/355793901.db2.gz ODVUMYZZZGKQRS-SRVKXCTJSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639347485 355793906 /nfs/dbraw/zinc/79/39/06/355793906.db2.gz ODVUMYZZZGKQRS-SRVKXCTJSA-N 1 3 246.345 2.352 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216009462 355795473 /nfs/dbraw/zinc/79/54/73/355795473.db2.gz XERLLWGCXCOUPZ-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)cc1C ZINC000216009462 355795476 /nfs/dbraw/zinc/79/54/76/355795476.db2.gz XERLLWGCXCOUPZ-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)cc1C ZINC000216009462 355795478 /nfs/dbraw/zinc/79/54/78/355795478.db2.gz XERLLWGCXCOUPZ-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO CCc1ccc(C[NH2+]C[C@@H](N)C2CC2)s1 ZINC000399233998 355852380 /nfs/dbraw/zinc/85/23/80/355852380.db2.gz DCACKGMRIQXPGB-GFCCVEGCSA-N 1 3 224.373 2.137 20 0 BEADHO Cc1ncccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000236820125 363458608 /nfs/dbraw/zinc/45/86/08/363458608.db2.gz QJAKWNZHVBGVCD-UHFFFAOYSA-N 1 3 247.386 2.352 20 0 BEADHO CCc1cc(NCCCC[NH3+])c2ccccc2n1 ZINC000420244055 192185530 /nfs/dbraw/zinc/18/55/30/192185530.db2.gz YGTMLOCHYGBIQO-UHFFFAOYSA-N 1 3 243.354 2.370 20 0 BEADHO CC[N@H+](CC[C@H]1CCCO1)[C@H]1CCCNCC1 ZINC000420300993 192207101 /nfs/dbraw/zinc/20/71/01/192207101.db2.gz ABEHWVCBGQZIDF-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC[N@@H+](CC[C@H]1CCCO1)[C@H]1CCCNCC1 ZINC000420300993 192207103 /nfs/dbraw/zinc/20/71/03/192207103.db2.gz ABEHWVCBGQZIDF-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CC[C@H]1CCCCO1 ZINC000420289682 192200956 /nfs/dbraw/zinc/20/09/56/192200956.db2.gz KSOJGSFBBMKUJV-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CC[C@@H]1CCCCO1 ZINC000420289681 192201266 /nfs/dbraw/zinc/20/12/66/192201266.db2.gz KSOJGSFBBMKUJV-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CCc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420311390 192211066 /nfs/dbraw/zinc/21/10/66/192211066.db2.gz RBDVXMNDVUEMCZ-HRCADAONSA-N 1 3 244.382 2.418 20 0 BEADHO C[C@@]1(C[NH3+])CCN(CCCc2ccsc2)C1 ZINC000420313355 192212035 /nfs/dbraw/zinc/21/20/35/192212035.db2.gz JLUOTOKKOYJSRR-ZDUSSCGKSA-N 1 3 238.400 2.351 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CCCc2ccsc2)C1 ZINC000420313355 192212037 /nfs/dbraw/zinc/21/20/37/192212037.db2.gz JLUOTOKKOYJSRR-ZDUSSCGKSA-N 1 3 238.400 2.351 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CCCc2ccsc2)C1 ZINC000420313355 192212038 /nfs/dbraw/zinc/21/20/38/192212038.db2.gz JLUOTOKKOYJSRR-ZDUSSCGKSA-N 1 3 238.400 2.351 20 0 BEADHO Cc1cc([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)on1 ZINC000420326824 192229731 /nfs/dbraw/zinc/22/97/31/192229731.db2.gz XVHBZAZAYFFEOZ-STQMWFEESA-N 1 3 249.358 2.120 20 0 BEADHO CCCCOCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420372654 192230039 /nfs/dbraw/zinc/23/00/39/192230039.db2.gz QHUTXRGGUISXIN-CQSZACIVSA-N 1 3 242.407 2.300 20 0 BEADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000420399470 192238544 /nfs/dbraw/zinc/23/85/44/192238544.db2.gz HYRUSEONKDVQMR-QWHCGFSZSA-N 1 3 233.359 2.122 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000420411526 192239084 /nfs/dbraw/zinc/23/90/84/192239084.db2.gz RTDGAHDIGOZBKI-RYUDHWBXSA-N 1 3 220.360 2.290 20 0 BEADHO [NH3+]CCCN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420410988 192239144 /nfs/dbraw/zinc/23/91/44/192239144.db2.gz RNOONDRPFTYVAV-UKRRQHHQSA-N 1 3 248.370 2.093 20 0 BEADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCc1ccccc1 ZINC000420378511 192232982 /nfs/dbraw/zinc/23/29/82/192232982.db2.gz XCIRRQCQZBVYNI-UMVBOHGHSA-N 1 3 232.371 2.205 20 0 BEADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCc1ccccc1 ZINC000420378510 192233245 /nfs/dbraw/zinc/23/32/45/192233245.db2.gz XCIRRQCQZBVYNI-NFAWXSAZSA-N 1 3 232.371 2.205 20 0 BEADHO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)s1 ZINC000167596605 134118445 /nfs/dbraw/zinc/11/84/45/134118445.db2.gz CNHUWTXKMZMZPT-ZYHUDNBSSA-N 1 3 238.400 2.473 20 0 BEADHO CCc1cc(N2CC[C@H](N3CC=CC3)C2)cc[nH+]1 ZINC000336188720 134122473 /nfs/dbraw/zinc/12/24/73/134122473.db2.gz VTDNPXHVFOVIHH-HNNXBMFYSA-N 1 3 243.354 2.095 20 0 BEADHO Cc1ccccc1OCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422944482 192513569 /nfs/dbraw/zinc/51/35/69/192513569.db2.gz MHXPAWOGHSUCNM-STQMWFEESA-N 1 3 236.359 2.089 20 0 BEADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422974982 192534436 /nfs/dbraw/zinc/53/44/36/192534436.db2.gz FVTBDCJFIAHTPN-QWHCGFSZSA-N 1 3 242.407 2.035 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423004109 192533018 /nfs/dbraw/zinc/53/30/18/192533018.db2.gz JEHYATRNTVCSMV-STQMWFEESA-N 1 3 242.407 2.035 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1ccccn1 ZINC000423143836 192586791 /nfs/dbraw/zinc/58/67/91/192586791.db2.gz DZGRXGFBOISFQH-VXGBXAGGSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000423143836 192586792 /nfs/dbraw/zinc/58/67/92/192586792.db2.gz DZGRXGFBOISFQH-VXGBXAGGSA-N 1 3 235.375 2.075 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1C[C@@H]1C ZINC000321136880 259469238 /nfs/dbraw/zinc/46/92/38/259469238.db2.gz UOZJOBLZKFHOBI-RVMXOQNASA-N 1 3 212.381 2.208 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cn1 ZINC000623360543 356804700 /nfs/dbraw/zinc/80/47/00/356804700.db2.gz NTHZAPBZPHSYNW-AWEZNQCLSA-N 1 3 247.386 2.352 20 0 BEADHO Cc1csc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423156941 192595918 /nfs/dbraw/zinc/59/59/18/192595918.db2.gz UPFUWTXGICGBLE-VHSXEESVSA-N 1 3 212.362 2.272 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@H]([C@H](C)N)C1 ZINC000261550463 535350576 /nfs/dbraw/zinc/35/05/76/535350576.db2.gz PLYFTMNKMOBEGE-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@H]([C@H](C)N)C1 ZINC000261550463 535350580 /nfs/dbraw/zinc/35/05/80/535350580.db2.gz PLYFTMNKMOBEGE-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCCCO2)CC1(C)C ZINC000623377439 356896838 /nfs/dbraw/zinc/89/68/38/356896838.db2.gz ZAARRMJNQDBTMJ-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCCCO2)CC1(C)C ZINC000623377439 356896841 /nfs/dbraw/zinc/89/68/41/356896841.db2.gz ZAARRMJNQDBTMJ-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CNCCC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000423197964 192623167 /nfs/dbraw/zinc/62/31/67/192623167.db2.gz CHFNBTQGUQHVLB-JTQLQIEISA-N 1 3 212.381 2.256 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000389984730 357079016 /nfs/dbraw/zinc/07/90/16/357079016.db2.gz LJOGETHPNYEUDO-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCOCc2ccccc2)C1 ZINC000390229025 357087233 /nfs/dbraw/zinc/08/72/33/357087233.db2.gz FEJGJJIPPWAFEH-GJZGRUSLSA-N 1 3 248.370 2.063 20 0 BEADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000390253066 357087539 /nfs/dbraw/zinc/08/75/39/357087539.db2.gz VDOYEDZLOUYLNI-NXEZZACHSA-N 1 3 220.307 2.281 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425708 357253130 /nfs/dbraw/zinc/25/31/30/357253130.db2.gz SNBGIOCXBXMITM-KBXIAJHMSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](CN)C1 ZINC000347032454 134196464 /nfs/dbraw/zinc/19/64/64/134196464.db2.gz ABIDRIJWUOFBGV-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](CN)C1 ZINC000347032454 134196465 /nfs/dbraw/zinc/19/64/65/134196465.db2.gz ABIDRIJWUOFBGV-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](NCCCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000395242877 357429534 /nfs/dbraw/zinc/42/95/34/357429534.db2.gz RCZHWKDCNVBHNX-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000584386854 357481174 /nfs/dbraw/zinc/48/11/74/357481174.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000584386854 357481178 /nfs/dbraw/zinc/48/11/78/357481178.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000584386854 357481183 /nfs/dbraw/zinc/48/11/83/357481183.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000584386854 357481186 /nfs/dbraw/zinc/48/11/86/357481186.db2.gz FZZBCXDQRBYDAA-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)CC(F)(F)F ZINC000396919799 357486634 /nfs/dbraw/zinc/48/66/34/357486634.db2.gz XUPDRWOPZDZLRH-IVZWLZJFSA-N 1 3 238.297 2.434 20 0 BEADHO CC(C)CSCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000397364319 357513832 /nfs/dbraw/zinc/51/38/32/357513832.db2.gz YOBOWTSRLPYYAW-NEPJUHHUSA-N 1 3 230.421 2.235 20 0 BEADHO CN(C)CCOCC[NH2+]C1CCC(C)(C)CC1 ZINC000231676476 357619780 /nfs/dbraw/zinc/61/97/80/357619780.db2.gz XLMIASVCDCAKOZ-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)CN ZINC000423301800 192691100 /nfs/dbraw/zinc/69/11/00/192691100.db2.gz GNJPRYDJPZNAGJ-LPWJVIDDSA-N 1 3 212.381 2.386 20 0 BEADHO CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000232873932 357686227 /nfs/dbraw/zinc/68/62/27/357686227.db2.gz ZPKIPQYTVUJBON-UHFFFAOYSA-N 1 3 245.370 2.440 20 0 BEADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000293659106 491114282 /nfs/dbraw/zinc/11/42/82/491114282.db2.gz LUIHTCRZTMCQIS-WCQYABFASA-N 1 3 235.375 2.238 20 0 BEADHO Cc1c[nH+]ccc1N1CCN2CCCC[C@@H]2C1 ZINC000191979854 357818705 /nfs/dbraw/zinc/81/87/05/357818705.db2.gz KQEJKFKPIIBOSG-CYBMUJFWSA-N 1 3 231.343 2.065 20 0 BEADHO CSCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080160 357867343 /nfs/dbraw/zinc/86/73/43/357867343.db2.gz ZCTNVNSVBVCNTK-UHFFFAOYSA-N 1 3 242.432 2.157 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000583812567 357959920 /nfs/dbraw/zinc/95/99/20/357959920.db2.gz KXEAUNGGIIBUBD-TUAOUCFPSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000583812566 357959682 /nfs/dbraw/zinc/95/96/82/357959682.db2.gz KXEAUNGGIIBUBD-SRVKXCTJSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000169231623 134249813 /nfs/dbraw/zinc/24/98/13/134249813.db2.gz ACTKCCVGUYWYCS-CHWSQXEVSA-N 1 3 204.317 2.377 20 0 BEADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000086402251 491123830 /nfs/dbraw/zinc/12/38/30/491123830.db2.gz VDNWWONLSFYFKI-DRZSPHRISA-N 1 3 219.332 2.002 20 0 BEADHO CCC(CC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040621438 358243057 /nfs/dbraw/zinc/24/30/57/358243057.db2.gz NPLDKIAVAMREJO-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000040621459 358243221 /nfs/dbraw/zinc/24/32/21/358243221.db2.gz AHDNCOBMGLDNLK-RYUDHWBXSA-N 1 3 210.365 2.105 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000226878798 358346637 /nfs/dbraw/zinc/34/66/37/358346637.db2.gz OGAWICBJXCBKIG-TZMCWYRMSA-N 1 3 218.344 2.307 20 0 BEADHO CC[NH+]1CCC(CNCc2ccc(C)o2)CC1 ZINC000044517401 358388475 /nfs/dbraw/zinc/38/84/75/358388475.db2.gz LZCWGVRQFVAQTP-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO CCC[NH+]1CCC(NCC=C(C)C)CC1 ZINC000219384188 134281161 /nfs/dbraw/zinc/28/11/61/134281161.db2.gz AMHLAYQSPBITGM-UHFFFAOYSA-N 1 3 210.365 2.417 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H](C)[C@H](C)OC)CC1 ZINC000130019339 358605709 /nfs/dbraw/zinc/60/57/09/358605709.db2.gz GLZWZSKOLHBPGA-STQMWFEESA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000423306034 192694515 /nfs/dbraw/zinc/69/45/15/192694515.db2.gz KYLQNMFTFUPVMA-LPWJVIDDSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000131597601 358684316 /nfs/dbraw/zinc/68/43/16/358684316.db2.gz OOXZVUSMUMBUDU-KGLIPLIRSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCOc1ccccc1 ZINC000131597601 358684319 /nfs/dbraw/zinc/68/43/19/358684319.db2.gz OOXZVUSMUMBUDU-KGLIPLIRSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCOc1ccccc1 ZINC000131597601 358684323 /nfs/dbraw/zinc/68/43/23/358684323.db2.gz OOXZVUSMUMBUDU-KGLIPLIRSA-N 1 3 248.370 2.125 20 0 BEADHO CC[C@H](O)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000135034552 358816681 /nfs/dbraw/zinc/81/66/81/358816681.db2.gz JNZOXZPTWHZEHK-RDBSUJKOSA-N 1 3 242.407 2.048 20 0 BEADHO CC[C@H](CCO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000134355824 358787509 /nfs/dbraw/zinc/78/75/09/358787509.db2.gz UFPOFZRAOFJBBF-MJBXVCDLSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@H](CC[NH3+])NCc1cccc2cccnc21 ZINC000136134602 358865210 /nfs/dbraw/zinc/86/52/10/358865210.db2.gz DWJRVABTYGIIDU-LLVKDONJSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCCC12CCCC2 ZINC000423313244 192698827 /nfs/dbraw/zinc/69/88/27/192698827.db2.gz WQSYEGOIFPEXQV-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)CN1CCCC1 ZINC000070762695 359062568 /nfs/dbraw/zinc/06/25/68/359062568.db2.gz VJXAVWFAEDEYKP-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO FCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246969073 359178869 /nfs/dbraw/zinc/17/88/69/359178869.db2.gz VIKBEPBGGQMULS-TZMCWYRMSA-N 1 3 240.366 2.295 20 0 BEADHO FCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246969073 359178871 /nfs/dbraw/zinc/17/88/71/359178871.db2.gz VIKBEPBGGQMULS-TZMCWYRMSA-N 1 3 240.366 2.295 20 0 BEADHO COCCC[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423407288 192745646 /nfs/dbraw/zinc/74/56/46/192745646.db2.gz ZQWVOQQUYBGRGU-LBPRGKRZSA-N 1 3 248.370 2.195 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@H]1C ZINC000423498505 192795291 /nfs/dbraw/zinc/79/52/91/192795291.db2.gz BJOCHYPAJPOBON-ZLTXHLNPSA-N 1 3 244.382 2.376 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1ccsc1 ZINC000379542095 359540215 /nfs/dbraw/zinc/54/02/15/359540215.db2.gz QUTUZVRXRHLLJV-OPRDCNLKSA-N 1 3 212.362 2.004 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CCO1 ZINC000423547645 192809990 /nfs/dbraw/zinc/80/99/90/192809990.db2.gz LOLMCLJUFKXLDE-SYQHCUMBSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H]([NH2+]CCCNC1CC1)[C@H]1C[C@@H]1C ZINC000423546521 192810011 /nfs/dbraw/zinc/81/00/11/192810011.db2.gz FLERSVUMBYSYSQ-DRZSPHRISA-N 1 3 210.365 2.153 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+]1CCSC(C)(C)C1 ZINC000162215623 359711344 /nfs/dbraw/zinc/71/13/44/359711344.db2.gz VMEGRCVMRPROSO-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO CN1CCC[C@H]1CC[N@H+]1CCSC(C)(C)C1 ZINC000162215623 359711351 /nfs/dbraw/zinc/71/13/51/359711351.db2.gz VMEGRCVMRPROSO-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000578518760 366588323 /nfs/dbraw/zinc/58/83/23/366588323.db2.gz GTZOCALULGPTQT-JHJVBQTASA-N 1 3 236.359 2.331 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000578518760 366588327 /nfs/dbraw/zinc/58/83/27/366588327.db2.gz GTZOCALULGPTQT-JHJVBQTASA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCNC1 ZINC000087646948 359922156 /nfs/dbraw/zinc/92/21/56/359922156.db2.gz LLZKBJNVLGPPPU-MCIONIFRSA-N 1 3 224.392 2.402 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000089139561 359991712 /nfs/dbraw/zinc/99/17/12/359991712.db2.gz JVHGYNWOXVOSFF-HUUCEWRRSA-N 1 3 232.371 2.336 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000089140766 359992990 /nfs/dbraw/zinc/99/29/90/359992990.db2.gz FNRDMDRZUAGEAC-OCCSQVGLSA-N 1 3 236.334 2.433 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2CN)c1 ZINC000089150528 359994088 /nfs/dbraw/zinc/99/40/88/359994088.db2.gz ADWXGDFNDNTWQZ-GJZGRUSLSA-N 1 3 232.371 2.255 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000089148169 359994208 /nfs/dbraw/zinc/99/42/08/359994208.db2.gz NHXDNWLPYGAZEF-JSGCOSHPSA-N 1 3 236.334 2.085 20 0 BEADHO C[C@H](CCN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000090320652 360070179 /nfs/dbraw/zinc/07/01/79/360070179.db2.gz ZBRDSZZLKCOBMI-FVQBIDKESA-N 1 3 244.382 2.331 20 0 BEADHO COCCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516160 360255666 /nfs/dbraw/zinc/25/56/66/360255666.db2.gz SIJOKKXHBTZBHP-ZIAGYGMSSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000629406530 361054962 /nfs/dbraw/zinc/05/49/62/361054962.db2.gz NIJYSLSFBKFDLE-UJPOAAIJSA-N 1 3 210.365 2.151 20 0 BEADHO CC1(C)CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000629385201 361032589 /nfs/dbraw/zinc/03/25/89/361032589.db2.gz UJXFKIPLABSZAY-VXGBXAGGSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC1CCC1 ZINC000629389277 361036188 /nfs/dbraw/zinc/03/61/88/361036188.db2.gz UGXWZSQWUWUGBY-KGYLQXTDSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCC(C)CC1 ZINC000629404451 361050205 /nfs/dbraw/zinc/05/02/05/361050205.db2.gz MZRVKXOIORWZJN-IFWUJCSASA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000629408337 361058604 /nfs/dbraw/zinc/05/86/04/361058604.db2.gz UBXUDVPATKCRMD-AHLTXXRQSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408242 361058636 /nfs/dbraw/zinc/05/86/36/361058636.db2.gz SEPOJASQUDNKKP-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@H]1C1CC1 ZINC000629408449 361059123 /nfs/dbraw/zinc/05/91/23/361059123.db2.gz VIYKHVQXOSAOTN-SCUASFONSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000629408449 361059126 /nfs/dbraw/zinc/05/91/26/361059126.db2.gz VIYKHVQXOSAOTN-SCUASFONSA-N 1 3 222.376 2.295 20 0 BEADHO C1CC1C1([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000309697898 491154651 /nfs/dbraw/zinc/15/46/51/491154651.db2.gz RXSVCAUIELJUKA-CHWSQXEVSA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000309697898 491154652 /nfs/dbraw/zinc/15/46/52/491154652.db2.gz RXSVCAUIELJUKA-CHWSQXEVSA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000309697898 491154653 /nfs/dbraw/zinc/15/46/53/491154653.db2.gz RXSVCAUIELJUKA-CHWSQXEVSA-N 1 3 220.360 2.145 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000629527774 361134169 /nfs/dbraw/zinc/13/41/69/361134169.db2.gz FLMDNYMYVYSMLX-MJBXVCDLSA-N 1 3 222.376 2.295 20 0 BEADHO C1CC1C1([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000309697900 491154607 /nfs/dbraw/zinc/15/46/07/491154607.db2.gz RXSVCAUIELJUKA-QWHCGFSZSA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000309697900 491154608 /nfs/dbraw/zinc/15/46/08/491154608.db2.gz RXSVCAUIELJUKA-QWHCGFSZSA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000309697900 491154609 /nfs/dbraw/zinc/15/46/09/491154609.db2.gz RXSVCAUIELJUKA-QWHCGFSZSA-N 1 3 220.360 2.145 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629524175 361122147 /nfs/dbraw/zinc/12/21/47/361122147.db2.gz MYWHLADYVGBZQJ-CYBMUJFWSA-N 1 3 248.370 2.154 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1CC ZINC000629526279 361127653 /nfs/dbraw/zinc/12/76/53/361127653.db2.gz OTEGGOFFBJMZGW-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CO[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000622045192 370678311 /nfs/dbraw/zinc/67/83/11/370678311.db2.gz GCNUALCOZHTVAF-XQQFMLRXSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)CO[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000622045192 370678314 /nfs/dbraw/zinc/67/83/14/370678314.db2.gz GCNUALCOZHTVAF-XQQFMLRXSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)C[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429578284 201117710 /nfs/dbraw/zinc/11/77/10/201117710.db2.gz SGGWSVGFBJVDFK-GWCFXTLKSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]3C[C@]32C)C[NH2+]1 ZINC000629534684 361407671 /nfs/dbraw/zinc/40/76/71/361407671.db2.gz ASCKGAMCRDVWDE-MBJXGIAVSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629544289 361420611 /nfs/dbraw/zinc/42/06/11/361420611.db2.gz JBBDGIAWZIJJOG-UMSGYPCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000629545597 361426667 /nfs/dbraw/zinc/42/66/67/361426667.db2.gz LTJXHSHWOVGCLT-TUAOUCFPSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553170 361437188 /nfs/dbraw/zinc/43/71/88/361437188.db2.gz VJIZYJRUUSYQBX-GRYCIOLGSA-N 1 3 246.345 2.209 20 0 BEADHO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000629553237 361437212 /nfs/dbraw/zinc/43/72/12/361437212.db2.gz QWCMMFGDBNGKSZ-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]1 ZINC000629554280 361440281 /nfs/dbraw/zinc/44/02/81/361440281.db2.gz HGYIPMFUXMZEAZ-RWMBFGLXSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@H]1CCCN1 ZINC000629554280 361440285 /nfs/dbraw/zinc/44/02/85/361440285.db2.gz HGYIPMFUXMZEAZ-RWMBFGLXSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2CC[C@@H]2C2CCC2)C[NH2+]1 ZINC000629542548 361418915 /nfs/dbraw/zinc/41/89/15/361418915.db2.gz FPWFSIMJMDYYME-CABNGKKXSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CCC1CCCC1)C2 ZINC000629585294 361474480 /nfs/dbraw/zinc/47/44/80/361474480.db2.gz QGGSXXQYUIEDOY-GASCZTMLSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CCCC1)C2 ZINC000629594986 361482147 /nfs/dbraw/zinc/48/21/47/361482147.db2.gz KZVJYKRSXRHXGS-OKILXGFUSA-N 1 3 222.376 2.108 20 0 BEADHO CC(C)=CCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595849 361483621 /nfs/dbraw/zinc/48/36/21/361483621.db2.gz ROFUUCSIMIZXRF-OKILXGFUSA-N 1 3 222.376 2.274 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000629601356 361492266 /nfs/dbraw/zinc/49/22/66/361492266.db2.gz CWXJAQHQVNEZJZ-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C[NH2+][C@H]2CCNC23CCC3)CCC1 ZINC000629651175 361556049 /nfs/dbraw/zinc/55/60/49/361556049.db2.gz KSJVTQHYFRXFBC-NSHDSACASA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H](Cc1ccccc1)CN1CCC[C@@H]1C[NH3+] ZINC000435370288 201265751 /nfs/dbraw/zinc/26/57/51/201265751.db2.gz HZWIENKBJAPESN-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](Cc1ccccc1)CN1CCC[C@H]1C[NH3+] ZINC000435370286 201266494 /nfs/dbraw/zinc/26/64/94/201266494.db2.gz HZWIENKBJAPESN-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO [NH3+]C1CCC(NCc2cc(F)ccc2F)CC1 ZINC000051692814 181341316 /nfs/dbraw/zinc/34/13/16/181341316.db2.gz ZLMFLACWPXBAHH-UHFFFAOYSA-N 1 3 240.297 2.324 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@H+](C)CCCN)cc1 ZINC000435396778 201270058 /nfs/dbraw/zinc/27/00/58/201270058.db2.gz YJXXQWNACVRMLB-CYBMUJFWSA-N 1 3 220.360 2.207 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@@H+](C)CCCN)cc1 ZINC000435396778 201270060 /nfs/dbraw/zinc/27/00/60/201270060.db2.gz YJXXQWNACVRMLB-CYBMUJFWSA-N 1 3 220.360 2.207 20 0 BEADHO CCCCOCCN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629573 201279740 /nfs/dbraw/zinc/27/97/40/201279740.db2.gz ULFPIWCRDUTBRZ-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO CCN(Cc1cccc(N)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435612986 201280337 /nfs/dbraw/zinc/28/03/37/201280337.db2.gz ILJZADQUCNMDIZ-OAHLLOKOSA-N 1 3 247.386 2.233 20 0 BEADHO CCc1cc(NC2CCN(C3CC3)CC2)cc[nH+]1 ZINC000450234923 201287087 /nfs/dbraw/zinc/28/70/87/201287087.db2.gz VXIYAOSEGRUIMZ-UHFFFAOYSA-N 1 3 245.370 2.105 20 0 BEADHO C[NH2+]CCCN1CCC[C@H]1c1ccccc1 ZINC000435872272 201290353 /nfs/dbraw/zinc/29/03/53/201290353.db2.gz NTBUYBNMDUBJEE-AWEZNQCLSA-N 1 3 218.344 2.433 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000435872272 201290358 /nfs/dbraw/zinc/29/03/58/201290358.db2.gz NTBUYBNMDUBJEE-AWEZNQCLSA-N 1 3 218.344 2.433 20 0 BEADHO CNCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000435872272 201290360 /nfs/dbraw/zinc/29/03/60/201290360.db2.gz NTBUYBNMDUBJEE-AWEZNQCLSA-N 1 3 218.344 2.433 20 0 BEADHO [NH3+]C1CCN(CCCCOc2ccccc2)CC1 ZINC000339414653 181343517 /nfs/dbraw/zinc/34/35/17/181343517.db2.gz IGMYSAASTWXHRL-UHFFFAOYSA-N 1 3 248.370 2.269 20 0 BEADHO CNCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000435873635 201292867 /nfs/dbraw/zinc/29/28/67/201292867.db2.gz DYZMRVUTUMFGHP-AWEZNQCLSA-N 1 3 234.387 2.467 20 0 BEADHO CNCCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000435873635 201292869 /nfs/dbraw/zinc/29/28/69/201292869.db2.gz DYZMRVUTUMFGHP-AWEZNQCLSA-N 1 3 234.387 2.467 20 0 BEADHO Cc1ccc2nccc(N[C@@H](C)C[NH+](C)C)c2c1 ZINC000436709285 201333603 /nfs/dbraw/zinc/33/36/03/201333603.db2.gz VEZCGXAZEYGTKT-LBPRGKRZSA-N 1 3 243.354 2.327 20 0 BEADHO CSc1ccccc1C[C@@H](C)[NH2+]CCCN ZINC000437768979 201371668 /nfs/dbraw/zinc/37/16/68/201371668.db2.gz CVDAULSPJKQCMS-LLVKDONJSA-N 1 3 238.400 2.278 20 0 BEADHO CSc1ccccc1C[C@@H](C)NCCC[NH3+] ZINC000437768979 201371670 /nfs/dbraw/zinc/37/16/70/201371670.db2.gz CVDAULSPJKQCMS-LLVKDONJSA-N 1 3 238.400 2.278 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000437779770 201372697 /nfs/dbraw/zinc/37/26/97/201372697.db2.gz CAJVAUYCYWRIBJ-KBPBESRZSA-N 1 3 218.344 2.261 20 0 BEADHO CC1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398971075 364401989 /nfs/dbraw/zinc/40/19/89/364401989.db2.gz WBDZXLQYWUOUOZ-MVKMKZAISA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]CCCCNCc1ccccc1OC(F)F ZINC000037715054 181377438 /nfs/dbraw/zinc/37/74/38/181377438.db2.gz UGORZVJHDKLPCZ-UHFFFAOYSA-N 1 3 244.285 2.117 20 0 BEADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccoc1 ZINC000574269160 365023311 /nfs/dbraw/zinc/02/33/11/365023311.db2.gz LBQXRGUQMFZJHX-WCQYABFASA-N 1 3 222.332 2.462 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)o1 ZINC000574563062 365088681 /nfs/dbraw/zinc/08/86/81/365088681.db2.gz NKRNUTSKEKENPO-GXTWGEPZSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCC[C@H]2C[NH3+])o1 ZINC000574563062 365088684 /nfs/dbraw/zinc/08/86/84/365088684.db2.gz NKRNUTSKEKENPO-GXTWGEPZSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc(CCCN2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000575759816 365356025 /nfs/dbraw/zinc/35/60/25/365356025.db2.gz WAGCUYXBEXTTHE-ZFWWWQNUSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000575989224 365437099 /nfs/dbraw/zinc/43/70/99/365437099.db2.gz XILGATKOSNNGGP-LPWJVIDDSA-N 1 3 228.355 2.245 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC000173916477 365455000 /nfs/dbraw/zinc/45/50/00/365455000.db2.gz XDUFLPGFWCCERB-ZDUSSCGKSA-N 1 3 210.365 2.226 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC000173916477 365455007 /nfs/dbraw/zinc/45/50/07/365455007.db2.gz XDUFLPGFWCCERB-ZDUSSCGKSA-N 1 3 210.365 2.226 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173907174 365455386 /nfs/dbraw/zinc/45/53/86/365455386.db2.gz WTSLFYMGLGTEMF-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173907174 365455388 /nfs/dbraw/zinc/45/53/88/365455388.db2.gz WTSLFYMGLGTEMF-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCNCCC[NH2+][C@H](C)C(C)(C)CC ZINC000581185085 367286718 /nfs/dbraw/zinc/28/67/18/367286718.db2.gz LFFJESZIHLECOP-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000382526916 367533521 /nfs/dbraw/zinc/53/35/21/367533521.db2.gz BOXMJLABJLPPDS-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+]CCCNC1CC1)C2 ZINC000382550149 367537180 /nfs/dbraw/zinc/53/71/80/367537180.db2.gz SWTMRHSPQKBKPB-INIZCTEOSA-N 1 3 244.382 2.276 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000382604785 367548578 /nfs/dbraw/zinc/54/85/78/367548578.db2.gz VRIYZMDTRDOFGO-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CCCOc1ccc(C[NH2+]C[C@H](N)CC)cc1 ZINC000581476227 367509591 /nfs/dbraw/zinc/50/95/91/367509591.db2.gz LQHPTDYMJXRSDJ-CYBMUJFWSA-N 1 3 236.359 2.302 20 0 BEADHO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCNC ZINC000581612320 367634539 /nfs/dbraw/zinc/63/45/39/367634539.db2.gz LVGZUFLGDTUUPD-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCCNC ZINC000581612320 367634544 /nfs/dbraw/zinc/63/45/44/367634544.db2.gz LVGZUFLGDTUUPD-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)[C@H](C)O1 ZINC000385004772 367770909 /nfs/dbraw/zinc/77/09/09/367770909.db2.gz WEJBSAMKUBYYPR-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCSCC[C@@H]1C ZINC000385506794 367838849 /nfs/dbraw/zinc/83/88/49/367838849.db2.gz MKLRRJFWRCSFEE-RYUDHWBXSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCSCC[C@@H]1C ZINC000385506794 367838854 /nfs/dbraw/zinc/83/88/54/367838854.db2.gz MKLRRJFWRCSFEE-RYUDHWBXSA-N 1 3 230.421 2.187 20 0 BEADHO C[C@H](NCC1(C)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386127262 367915968 /nfs/dbraw/zinc/91/59/68/367915968.db2.gz NXXBKFVXXHSRPO-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000387025126 368042315 /nfs/dbraw/zinc/04/23/15/368042315.db2.gz NGAYLCGCKNEZAR-YNEHKIRRSA-N 1 3 222.376 2.426 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC000387115101 368051472 /nfs/dbraw/zinc/05/14/72/368051472.db2.gz JFPWYUNWYOSNPG-UTUOFQBUSA-N 1 3 208.349 2.179 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC23CCCC3)C1 ZINC000387115101 368051474 /nfs/dbraw/zinc/05/14/74/368051474.db2.gz JFPWYUNWYOSNPG-UTUOFQBUSA-N 1 3 208.349 2.179 20 0 BEADHO C(C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CN1CCCCC1 ZINC000252860594 368164365 /nfs/dbraw/zinc/16/43/65/368164365.db2.gz NAVJHFPJKQAEOV-QDMKHBRRSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000059868982 368534589 /nfs/dbraw/zinc/53/45/89/368534589.db2.gz MRWADXJLYWZRTH-SCRDCRAPSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1C[C@H]1C ZINC000623657271 368998196 /nfs/dbraw/zinc/99/81/96/368998196.db2.gz MNZNXGOUYWTIMB-RFGFWPKPSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656344 368993248 /nfs/dbraw/zinc/99/32/48/368993248.db2.gz SFHFTFUTXJPCJT-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)c(C)c1 ZINC000631837283 369096082 /nfs/dbraw/zinc/09/60/82/369096082.db2.gz QPGYCBVYQTXIHP-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)c(C)c1 ZINC000631837283 369096085 /nfs/dbraw/zinc/09/60/85/369096085.db2.gz QPGYCBVYQTXIHP-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000631837283 369096089 /nfs/dbraw/zinc/09/60/89/369096089.db2.gz QPGYCBVYQTXIHP-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2C)C[C@H]1CN ZINC000631837328 369096455 /nfs/dbraw/zinc/09/64/55/369096455.db2.gz QSJAIXGKHHEXPK-YIYPIFLZSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2C)C[C@H]1CN ZINC000631837328 369096458 /nfs/dbraw/zinc/09/64/58/369096458.db2.gz QSJAIXGKHHEXPK-YIYPIFLZSA-N 1 3 224.392 2.339 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000567735662 326253216 /nfs/dbraw/zinc/25/32/16/326253216.db2.gz OQJSYQNPUFPWCW-CYDGBPFRSA-N 1 3 228.355 2.374 20 0 BEADHO Cc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459732738 203344946 /nfs/dbraw/zinc/34/49/46/203344946.db2.gz MTTNCEFQVMZDPM-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459732738 203344948 /nfs/dbraw/zinc/34/49/48/203344948.db2.gz MTTNCEFQVMZDPM-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCNC1 ZINC000252205864 370001914 /nfs/dbraw/zinc/00/19/14/370001914.db2.gz XDURAUDPZJQLCS-XJFOESAGSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000253095950 370148658 /nfs/dbraw/zinc/14/86/58/370148658.db2.gz LESAHKZIPUPBGK-RFGFWPKPSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000253095950 370148665 /nfs/dbraw/zinc/14/86/65/370148665.db2.gz LESAHKZIPUPBGK-RFGFWPKPSA-N 1 3 224.392 2.352 20 0 BEADHO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000621377189 370319154 /nfs/dbraw/zinc/31/91/54/370319154.db2.gz RLPVRLHYEACPML-SDDRHHMPSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000621377189 370319157 /nfs/dbraw/zinc/31/91/57/370319157.db2.gz RLPVRLHYEACPML-SDDRHHMPSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000621377189 370319162 /nfs/dbraw/zinc/31/91/62/370319162.db2.gz RLPVRLHYEACPML-SDDRHHMPSA-N 1 3 244.329 2.248 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000621384333 370328083 /nfs/dbraw/zinc/32/80/83/370328083.db2.gz CCIHNBZXGNMDBN-CLRIEMFWSA-N 1 3 222.376 2.249 20 0 BEADHO Cc1cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])ccn1 ZINC000621776325 370524583 /nfs/dbraw/zinc/52/45/83/370524583.db2.gz JCDVDBSOLBTJKP-DOMZBBRYSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000568749072 326374645 /nfs/dbraw/zinc/37/46/45/326374645.db2.gz UPUCSORANXLJAS-NHYWBVRUSA-N 1 3 236.403 2.400 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCCCO1 ZINC000623849220 371123586 /nfs/dbraw/zinc/12/35/86/371123586.db2.gz ZNTBMMKWRHFQPK-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623849220 371123588 /nfs/dbraw/zinc/12/35/88/371123588.db2.gz ZNTBMMKWRHFQPK-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)[C@H]1CCCCO1 ZINC000623849222 371124426 /nfs/dbraw/zinc/12/44/26/371124426.db2.gz ZNTBMMKWRHFQPK-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623849222 371124434 /nfs/dbraw/zinc/12/44/34/371124434.db2.gz ZNTBMMKWRHFQPK-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH2+]CCCN[C@H](C)CCc1ccco1 ZINC000569106282 326390511 /nfs/dbraw/zinc/39/05/11/326390511.db2.gz YDLWGDJFCXDJJW-GFCCVEGCSA-N 1 3 224.348 2.190 20 0 BEADHO CCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120035 371319329 /nfs/dbraw/zinc/31/93/29/371319329.db2.gz QEFGPVZCTRNONB-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120448 371321841 /nfs/dbraw/zinc/32/18/41/371321841.db2.gz ZKEXPWFGPDJRIO-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000624123395 371324877 /nfs/dbraw/zinc/32/48/77/371324877.db2.gz LCPHBRXYOJQBIG-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C/C=C/C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000624197658 371386586 /nfs/dbraw/zinc/38/65/86/371386586.db2.gz SOCPGOPIOIANRU-AATRIKPKSA-N 1 3 210.365 2.415 20 0 BEADHO COCCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000178244211 134305182 /nfs/dbraw/zinc/30/51/82/134305182.db2.gz HISJLBWNRKXGEN-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO C[N@@H+]1CC[C@H](NCC(C)(C)F)[C@@H]2CCC[C@H]21 ZINC000631665963 372491271 /nfs/dbraw/zinc/49/12/71/372491271.db2.gz ZWTNVFBMOAAQNR-SDDRHHMPSA-N 1 3 228.355 2.197 20 0 BEADHO C[N@H+]1CC[C@H](NCC(C)(C)F)[C@@H]2CCC[C@H]21 ZINC000631665963 372491273 /nfs/dbraw/zinc/49/12/73/372491273.db2.gz ZWTNVFBMOAAQNR-SDDRHHMPSA-N 1 3 228.355 2.197 20 0 BEADHO CN1CC[C@H]([NH2+]CC(C)(C)F)[C@@H]2CCC[C@H]21 ZINC000631665963 372491274 /nfs/dbraw/zinc/49/12/74/372491274.db2.gz ZWTNVFBMOAAQNR-SDDRHHMPSA-N 1 3 228.355 2.197 20 0 BEADHO Cc1cc(C)c(CN2C[C@H](C[NH3+])C[C@@H]2C)c(C)n1 ZINC000631822440 372599341 /nfs/dbraw/zinc/59/93/41/372599341.db2.gz DETYDOCUIBQAKA-JSGCOSHPSA-N 1 3 247.386 2.176 20 0 BEADHO CCC(C)(C)CC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837985 372607800 /nfs/dbraw/zinc/60/78/00/372607800.db2.gz YLUVTZHTSBIQDK-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO CCC(C)(C)CC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837985 372607801 /nfs/dbraw/zinc/60/78/01/372607801.db2.gz YLUVTZHTSBIQDK-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2N)c(C)n1 ZINC000631829250 372610702 /nfs/dbraw/zinc/61/07/02/372610702.db2.gz LQLUDIVLBBFREJ-HUUCEWRRSA-N 1 3 247.386 2.366 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837121 372628031 /nfs/dbraw/zinc/62/80/31/372628031.db2.gz NBLOHWQOODGQFJ-GMTAPVOTSA-N 1 3 234.334 2.194 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837121 372628034 /nfs/dbraw/zinc/62/80/34/372628034.db2.gz NBLOHWQOODGQFJ-GMTAPVOTSA-N 1 3 234.334 2.194 20 0 BEADHO CCc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631837950 372630261 /nfs/dbraw/zinc/63/02/61/372630261.db2.gz HMWBIJGXNDHXGY-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO Cc1ccccc1CCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631840293 372636818 /nfs/dbraw/zinc/63/68/18/372636818.db2.gz RFMJLNFFCMOCDE-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccccc1CCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631840293 372636820 /nfs/dbraw/zinc/63/68/20/372636820.db2.gz RFMJLNFFCMOCDE-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631842688 372640834 /nfs/dbraw/zinc/64/08/34/372640834.db2.gz DNOHWCIEPPAUDF-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631842688 372640843 /nfs/dbraw/zinc/64/08/43/372640843.db2.gz DNOHWCIEPPAUDF-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO C[NH2+]CCCN1CCC[C@H](C2CCC2)CC1 ZINC000631872412 372673607 /nfs/dbraw/zinc/67/36/07/372673607.db2.gz AIPXEVPYANMVEH-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631872412 372673614 /nfs/dbraw/zinc/67/36/14/372673614.db2.gz AIPXEVPYANMVEH-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631872412 372673618 /nfs/dbraw/zinc/67/36/18/372673618.db2.gz AIPXEVPYANMVEH-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](Cc1ccoc1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424377727 206038343 /nfs/dbraw/zinc/03/83/43/206038343.db2.gz RRMXLNXSCLWZLD-CYZMBNFOSA-N 1 3 222.332 2.070 20 0 BEADHO CCC[NH+]1CCC(NCCc2ccncc2)CC1 ZINC000048484495 169187811 /nfs/dbraw/zinc/18/78/11/169187811.db2.gz KUNXZILTPXCFIR-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[NH+]1CCC(NCCC(C)(F)F)CC1 ZINC000357715901 169188317 /nfs/dbraw/zinc/18/83/17/169188317.db2.gz YQXUFPCEJQWEGC-UHFFFAOYSA-N 1 3 234.334 2.496 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000076453760 169206426 /nfs/dbraw/zinc/20/64/26/169206426.db2.gz BUPFBXZFKMQSLA-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000309942950 169207643 /nfs/dbraw/zinc/20/76/43/169207643.db2.gz CGXZLYTYHQSSOW-STQMWFEESA-N 1 3 242.432 2.061 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000309976871 169209060 /nfs/dbraw/zinc/20/90/60/169209060.db2.gz UBJWWFHJAFZJFP-AAVRWANBSA-N 1 3 224.392 2.352 20 0 BEADHO c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cs1 ZINC000037408352 183350650 /nfs/dbraw/zinc/35/06/50/183350650.db2.gz ZSTOYRSCDSVWHW-NSHDSACASA-N 1 3 236.384 2.322 20 0 BEADHO c1ccc(CCCN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336794652 183391179 /nfs/dbraw/zinc/39/11/79/183391179.db2.gz DPDRBMHDXUSNPD-HZPDHXFCSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000063197613 183397535 /nfs/dbraw/zinc/39/75/35/183397535.db2.gz HWSQKZUHRCRALA-HNNXBMFYSA-N 1 3 245.370 2.046 20 0 BEADHO c1ccc2c(c1)nccc2NC[C@H]1CCC[NH2+]1 ZINC000053255486 183440074 /nfs/dbraw/zinc/44/00/74/183440074.db2.gz GLRRFNVWIBOGNG-LLVKDONJSA-N 1 3 227.311 2.399 20 0 BEADHO CCC[C@@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000309189369 169377924 /nfs/dbraw/zinc/37/79/24/169377924.db2.gz PLTSJPCQCDBZMA-CYBMUJFWSA-N 1 3 210.365 2.417 20 0 BEADHO CCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424667 1172558227 /nfs/dbraw/zinc/55/82/27/1172558227.db2.gz KBTHLONQZIWRNG-JKSUJKDBSA-N 1 3 244.382 2.460 20 0 BEADHO CCN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001644424667 1172558229 /nfs/dbraw/zinc/55/82/29/1172558229.db2.gz KBTHLONQZIWRNG-JKSUJKDBSA-N 1 3 244.382 2.460 20 0 BEADHO CC(C)N(C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000226373785 134364660 /nfs/dbraw/zinc/36/46/60/134364660.db2.gz MRUJVNFTMJHXSL-LBPRGKRZSA-N 1 3 230.421 2.059 20 0 BEADHO CC[C@@H](C)C[N@H+](C)CC[C@@H](N)C(C)C ZINC000226431052 134365431 /nfs/dbraw/zinc/36/54/31/134365431.db2.gz YEMUEODYKFDVIA-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@@H](C)C[N@@H+](C)CC[C@@H](N)C(C)C ZINC000226431052 134365432 /nfs/dbraw/zinc/36/54/32/134365432.db2.gz YEMUEODYKFDVIA-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@@H](C)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000226431052 134365433 /nfs/dbraw/zinc/36/54/33/134365433.db2.gz YEMUEODYKFDVIA-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000401109885 383933477 /nfs/dbraw/zinc/93/34/77/383933477.db2.gz GXLWTLVBTGYFQI-RWMBFGLXSA-N 1 3 234.343 2.066 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCCNC1 ZINC000643545146 384008146 /nfs/dbraw/zinc/00/81/46/384008146.db2.gz FUIVVCCBSVDPHV-NEPJUHHUSA-N 1 3 238.400 2.411 20 0 BEADHO C1CC1C([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643546530 384014612 /nfs/dbraw/zinc/01/46/12/384014612.db2.gz QFLOIVDLVGRIPS-ZDUSSCGKSA-N 1 3 234.387 2.439 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccc2[nH]ccc21 ZINC000569447680 384050488 /nfs/dbraw/zinc/05/04/88/384050488.db2.gz NVVMYZODUOHQDG-ZFWWWQNUSA-N 1 3 243.354 2.180 20 0 BEADHO C[C@@H](Cc1ccoc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547396 384033720 /nfs/dbraw/zinc/03/37/20/384033720.db2.gz DTWINHLYJVGBFH-GXTWGEPZSA-N 1 3 248.370 2.475 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547396 384033722 /nfs/dbraw/zinc/03/37/22/384033722.db2.gz DTWINHLYJVGBFH-GXTWGEPZSA-N 1 3 248.370 2.475 20 0 BEADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000114478114 384039538 /nfs/dbraw/zinc/03/95/38/384039538.db2.gz LWPGKSJFJFIKBO-HNNXBMFYSA-N 1 3 232.371 2.113 20 0 BEADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000114478114 384039543 /nfs/dbraw/zinc/03/95/43/384039543.db2.gz LWPGKSJFJFIKBO-HNNXBMFYSA-N 1 3 232.371 2.113 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000114478114 384039547 /nfs/dbraw/zinc/03/95/47/384039547.db2.gz LWPGKSJFJFIKBO-HNNXBMFYSA-N 1 3 232.371 2.113 20 0 BEADHO C[C@H](C[NH2+]Cc1ccn(C)c1)CN1CCCCC1 ZINC000091008676 384094146 /nfs/dbraw/zinc/09/41/46/384094146.db2.gz DYBVIJKIALEOIV-CQSZACIVSA-N 1 3 249.402 2.237 20 0 BEADHO CC[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000302380966 384156313 /nfs/dbraw/zinc/15/63/13/384156313.db2.gz IGZVMKUIJDWMAZ-TUAOUCFPSA-N 1 3 246.345 2.481 20 0 BEADHO [NH3+]C[C@@H]1CCCN1CCC1CCCCC1 ZINC000133240223 384236402 /nfs/dbraw/zinc/23/64/02/384236402.db2.gz FDBOITAWAUGMJH-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000569566730 384250146 /nfs/dbraw/zinc/25/01/46/384250146.db2.gz YCRKMSKFPDCVOF-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000228537475 384273004 /nfs/dbraw/zinc/27/30/04/384273004.db2.gz FUMKYKSMYPIVMB-CYZMBNFOSA-N 1 3 236.384 2.307 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119518347 384280866 /nfs/dbraw/zinc/28/08/66/384280866.db2.gz XZHWNNRZIWAMPW-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119518347 384280873 /nfs/dbraw/zinc/28/08/73/384280873.db2.gz XZHWNNRZIWAMPW-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCSCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173919712 384289790 /nfs/dbraw/zinc/28/97/90/384289790.db2.gz PUTASHABFMLWHN-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CCSCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173919712 384289799 /nfs/dbraw/zinc/28/97/99/384289799.db2.gz PUTASHABFMLWHN-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CC(C)OCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000173962332 384292511 /nfs/dbraw/zinc/29/25/11/384292511.db2.gz ISWFCMWPDRDPHW-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000173962332 384292517 /nfs/dbraw/zinc/29/25/17/384292517.db2.gz ISWFCMWPDRDPHW-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO Cc1csc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000335590670 384355026 /nfs/dbraw/zinc/35/50/26/384355026.db2.gz HKNBTPJABZZVMN-YPMHNXCESA-N 1 3 238.400 2.486 20 0 BEADHO Cc1csc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335590670 384355030 /nfs/dbraw/zinc/35/50/30/384355030.db2.gz HKNBTPJABZZVMN-YPMHNXCESA-N 1 3 238.400 2.486 20 0 BEADHO C[C@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000401979194 384360274 /nfs/dbraw/zinc/36/02/74/384360274.db2.gz ZJRACUSDOSFLLY-QWRGUYRKSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CO1 ZINC000401979194 384360281 /nfs/dbraw/zinc/36/02/81/384360281.db2.gz ZJRACUSDOSFLLY-QWRGUYRKSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000401979195 384361248 /nfs/dbraw/zinc/36/12/48/384361248.db2.gz ZJRACUSDOSFLLY-WDEREUQCSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CO1 ZINC000401979195 384361254 /nfs/dbraw/zinc/36/12/54/384361254.db2.gz ZJRACUSDOSFLLY-WDEREUQCSA-N 1 3 240.391 2.063 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCOC(C)C)[C@H](C)C1 ZINC000174772700 384362143 /nfs/dbraw/zinc/36/21/43/384362143.db2.gz AVPLBWSBHOEOPB-KGLIPLIRSA-N 1 3 242.407 2.074 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCOC(C)C)[C@H](C)C1 ZINC000174772700 384362146 /nfs/dbraw/zinc/36/21/46/384362146.db2.gz AVPLBWSBHOEOPB-KGLIPLIRSA-N 1 3 242.407 2.074 20 0 BEADHO CCSCCN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174780926 384363816 /nfs/dbraw/zinc/36/38/16/384363816.db2.gz ZBRAWCMEJDBGLS-CHWSQXEVSA-N 1 3 244.448 2.402 20 0 BEADHO CCSCCN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174780926 384363819 /nfs/dbraw/zinc/36/38/19/384363819.db2.gz ZBRAWCMEJDBGLS-CHWSQXEVSA-N 1 3 244.448 2.402 20 0 BEADHO C[C@@H](Cc1ccccc1F)NCCC[NH+](C)C ZINC000134047420 384328821 /nfs/dbraw/zinc/32/88/21/384328821.db2.gz OOJOPKWCUATTJO-LBPRGKRZSA-N 1 3 238.350 2.298 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCSC1 ZINC000300232772 384331548 /nfs/dbraw/zinc/33/15/48/384331548.db2.gz NAULQEGMBFCWCL-NEPJUHHUSA-N 1 3 230.421 2.045 20 0 BEADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccccn1 ZINC000159013833 384333125 /nfs/dbraw/zinc/33/31/25/384333125.db2.gz SHZKZICFRGNPKA-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@@H](C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335620314 384397820 /nfs/dbraw/zinc/39/78/20/384397820.db2.gz XHUTXWDLBGKIBQ-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1ccccn1 ZINC000045663110 384403294 /nfs/dbraw/zinc/40/32/94/384403294.db2.gz YRJXFSHYTHJGQC-GFCCVEGCSA-N 1 3 221.348 2.074 20 0 BEADHO CC(C)C1([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000334195352 384387988 /nfs/dbraw/zinc/38/79/88/384387988.db2.gz KFACJIPGTSLVCL-QWHCGFSZSA-N 1 3 222.376 2.391 20 0 BEADHO C[NH+]1CCC(N[C@H]2CCc3c2cccc3F)CC1 ZINC000147771694 384451932 /nfs/dbraw/zinc/45/19/32/384451932.db2.gz SGEDPJKSXXHIOC-HNNXBMFYSA-N 1 3 248.345 2.497 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000306009750 384469542 /nfs/dbraw/zinc/46/95/42/384469542.db2.gz OPRQXJCVCQOAAA-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO COC(C)(C)[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000306009750 384469547 /nfs/dbraw/zinc/46/95/47/384469547.db2.gz OPRQXJCVCQOAAA-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO Fc1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CC2 ZINC000335059725 384520375 /nfs/dbraw/zinc/52/03/75/384520375.db2.gz NOSIAXXTXZBBBU-OAHLLOKOSA-N 1 3 246.329 2.322 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000449554436 384525679 /nfs/dbraw/zinc/52/56/79/384525679.db2.gz PIIFRJAQMODBHL-XGUBFFRZSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449554436 384525687 /nfs/dbraw/zinc/52/56/87/384525687.db2.gz PIIFRJAQMODBHL-XGUBFFRZSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449554436 384525691 /nfs/dbraw/zinc/52/56/91/384525691.db2.gz PIIFRJAQMODBHL-XGUBFFRZSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727263 384560820 /nfs/dbraw/zinc/56/08/20/384560820.db2.gz DKHHLQPHBFDWTM-KXUCPTDWSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727263 384560838 /nfs/dbraw/zinc/56/08/38/384560838.db2.gz DKHHLQPHBFDWTM-KXUCPTDWSA-N 1 3 238.297 2.115 20 0 BEADHO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040621544 384588454 /nfs/dbraw/zinc/58/84/54/384588454.db2.gz AFXVSPFALRJPHW-OLZOCXBDSA-N 1 3 212.381 2.351 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2CN)n1 ZINC000423087190 384566139 /nfs/dbraw/zinc/56/61/39/384566139.db2.gz OYTOHPRLWLQLLY-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccc(CCN[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423087190 384566141 /nfs/dbraw/zinc/56/61/41/384566141.db2.gz OYTOHPRLWLQLLY-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000306053944 384567685 /nfs/dbraw/zinc/56/76/85/384567685.db2.gz WXWNKODGXHLZMY-WOPDTQHZSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000306053944 384567693 /nfs/dbraw/zinc/56/76/93/384567693.db2.gz WXWNKODGXHLZMY-WOPDTQHZSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000306053944 384567700 /nfs/dbraw/zinc/56/77/00/384567700.db2.gz WXWNKODGXHLZMY-WOPDTQHZSA-N 1 3 246.345 2.339 20 0 BEADHO CN(C)CCC[NH2+]Cc1ccc2ncccc2c1 ZINC000020248257 384603109 /nfs/dbraw/zinc/60/31/09/384603109.db2.gz FMXTYMNLPOMWKE-UHFFFAOYSA-N 1 3 243.354 2.276 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000235846957 384632726 /nfs/dbraw/zinc/63/27/26/384632726.db2.gz TWKUKQTUFCUOBF-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2CC[C@](C)(CN)C2)c1 ZINC000235846957 384632732 /nfs/dbraw/zinc/63/27/32/384632732.db2.gz TWKUKQTUFCUOBF-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2CC[C@](C)(CN)C2)c1 ZINC000235846957 384632736 /nfs/dbraw/zinc/63/27/36/384632736.db2.gz TWKUKQTUFCUOBF-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO CSCCC[N@H+](C)C[C@H](N)CC(C)C ZINC000300862791 384614733 /nfs/dbraw/zinc/61/47/33/384614733.db2.gz PLJGQVXHIAGTSK-LLVKDONJSA-N 1 3 218.410 2.045 20 0 BEADHO CSCCC[N@@H+](C)C[C@H](N)CC(C)C ZINC000300862791 384614741 /nfs/dbraw/zinc/61/47/41/384614741.db2.gz PLJGQVXHIAGTSK-LLVKDONJSA-N 1 3 218.410 2.045 20 0 BEADHO CC(C)C[C@H](C)CN1CCC(C)([NH3+])CC1 ZINC000647530794 384623824 /nfs/dbraw/zinc/62/38/24/384623824.db2.gz GFVMEVHKOAOLFD-LBPRGKRZSA-N 1 3 212.381 2.482 20 0 BEADHO CN(C)CCC[NH2+]Cc1cc(Cl)cs1 ZINC000086332138 384639546 /nfs/dbraw/zinc/63/95/46/384639546.db2.gz SIMGQDYQZMJDQP-UHFFFAOYSA-N 1 3 232.780 2.443 20 0 BEADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)CN(C)C ZINC000291677673 384643584 /nfs/dbraw/zinc/64/35/84/384643584.db2.gz HHJDYMHNGCOBJU-NSHDSACASA-N 1 3 224.323 2.113 20 0 BEADHO N[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000556932307 384662425 /nfs/dbraw/zinc/66/24/25/384662425.db2.gz UKGSKITUKHDGPC-GFCCVEGCSA-N 1 3 240.297 2.451 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCc1ccccc1 ZINC000049713021 384678987 /nfs/dbraw/zinc/67/89/87/384678987.db2.gz MTTCZJGUWUHMSE-UKRRQHHQSA-N 1 3 232.371 2.431 20 0 BEADHO Cc1ncc(CN2CCC([C@H](C)[NH3+])CC2)s1 ZINC000082475139 384686868 /nfs/dbraw/zinc/68/68/68/384686868.db2.gz XDFYAKPZMRYMLJ-VIFPVBQESA-N 1 3 239.388 2.011 20 0 BEADHO FC1(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543748 384712741 /nfs/dbraw/zinc/71/27/41/384712741.db2.gz RPJHQPHJYKERLV-STQMWFEESA-N 1 3 240.366 2.200 20 0 BEADHO C[N@H+](CCCN)CCCCc1ccccc1 ZINC000162981164 384715083 /nfs/dbraw/zinc/71/50/83/384715083.db2.gz KDKSREMNIFPQMS-UHFFFAOYSA-N 1 3 220.360 2.290 20 0 BEADHO C[N@@H+](CCCN)CCCCc1ccccc1 ZINC000162981164 384715089 /nfs/dbraw/zinc/71/50/89/384715089.db2.gz KDKSREMNIFPQMS-UHFFFAOYSA-N 1 3 220.360 2.290 20 0 BEADHO CN(CCC[NH3+])CCCCc1ccccc1 ZINC000162981164 384715099 /nfs/dbraw/zinc/71/50/99/384715099.db2.gz KDKSREMNIFPQMS-UHFFFAOYSA-N 1 3 220.360 2.290 20 0 BEADHO CN(Cc1cccc2cnccc21)C1CC([NH3+])C1 ZINC000647544855 384718063 /nfs/dbraw/zinc/71/80/63/384718063.db2.gz KGRXLFGIADWLDD-UHFFFAOYSA-N 1 3 241.338 2.156 20 0 BEADHO C[NH+]1CCC(NCc2ccc3cc[nH]c3c2)CC1 ZINC000083371996 384774258 /nfs/dbraw/zinc/77/42/58/384774258.db2.gz STLIVPXNAGKQSX-UHFFFAOYSA-N 1 3 243.354 2.352 20 0 BEADHO C[C@@]1(CN2CC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552016 384758698 /nfs/dbraw/zinc/75/86/98/384758698.db2.gz AHNDZPNZLLLZIB-ZIAGYGMSSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@H](CO)CCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300703980 384760618 /nfs/dbraw/zinc/76/06/18/384760618.db2.gz PHBVAWGBXAPJPW-TUKIKUTGSA-N 1 3 248.370 2.129 20 0 BEADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCN)C1 ZINC000647552759 384761157 /nfs/dbraw/zinc/76/11/57/384761157.db2.gz VNDBGEMJNTYZRJ-CHWSQXEVSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCCN)C1 ZINC000647552759 384761165 /nfs/dbraw/zinc/76/11/65/384761165.db2.gz VNDBGEMJNTYZRJ-CHWSQXEVSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](CO)CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000300703979 384761602 /nfs/dbraw/zinc/76/16/02/384761602.db2.gz PHBVAWGBXAPJPW-CQDKDKBSSA-N 1 3 248.370 2.129 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423210430 384761780 /nfs/dbraw/zinc/76/17/80/384761780.db2.gz GHASCPWWXBKDCY-CRWXNKLISA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H](C)C[NH2+][C@@H]1CCNC12CCCC2 ZINC000647554300 384770797 /nfs/dbraw/zinc/77/07/97/384770797.db2.gz WGJANKGXQFXNNP-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]1CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423357625 384831538 /nfs/dbraw/zinc/83/15/38/384831538.db2.gz MKSAMRZQZIUTGL-UPJWGTAASA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@H]1CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423357624 384832170 /nfs/dbraw/zinc/83/21/70/384832170.db2.gz MKSAMRZQZIUTGL-JHJVBQTASA-N 1 3 210.365 2.153 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000107786777 384784277 /nfs/dbraw/zinc/78/42/77/384784277.db2.gz LLTOZJYRRUBMFE-FZMZJTMJSA-N 1 3 236.359 2.329 20 0 BEADHO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCCNC ZINC000310032343 384800261 /nfs/dbraw/zinc/80/02/61/384800261.db2.gz RLBATALYANPPQC-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCCNC ZINC000310032343 384800268 /nfs/dbraw/zinc/80/02/68/384800268.db2.gz RLBATALYANPPQC-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423339586 384813160 /nfs/dbraw/zinc/81/31/60/384813160.db2.gz LJKZRWBWMQLAAZ-MELADBBJSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)CN(C)C ZINC000308645538 384885863 /nfs/dbraw/zinc/88/58/63/384885863.db2.gz HJJUQGCDDDEWEE-MNOVXSKESA-N 1 3 200.370 2.208 20 0 BEADHO Cc1ccncc1[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423363743 384843480 /nfs/dbraw/zinc/84/34/80/384843480.db2.gz AGXGGRYEJPPPIL-YNEHKIRRSA-N 1 3 233.359 2.311 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000104424503 384850066 /nfs/dbraw/zinc/85/00/66/384850066.db2.gz RFFOXKXUQRKNFZ-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000104424503 384850078 /nfs/dbraw/zinc/85/00/78/384850078.db2.gz RFFOXKXUQRKNFZ-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424503 384850086 /nfs/dbraw/zinc/85/00/86/384850086.db2.gz RFFOXKXUQRKNFZ-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423388126 384852525 /nfs/dbraw/zinc/85/25/25/384852525.db2.gz TUSPGBCJOHOJBW-FVCCEPFGSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423388125 384853859 /nfs/dbraw/zinc/85/38/59/384853859.db2.gz TUSPGBCJOHOJBW-FDYHWXHSSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1ccc([C@@H](C)NC[C@H](C)C[NH3+])s1 ZINC000308604106 384861304 /nfs/dbraw/zinc/86/13/04/384861304.db2.gz GKCUCTZWOLDXQK-PSASIEDQSA-N 1 3 212.362 2.302 20 0 BEADHO Fc1ccccc1CNCC[C@H]1CCC[NH2+]C1 ZINC000259056052 384950357 /nfs/dbraw/zinc/95/03/57/384950357.db2.gz QPSCWSCYDQFIMK-GFCCVEGCSA-N 1 3 236.334 2.305 20 0 BEADHO CN(CC[NH+](C)C)c1ccnc2ccccc21 ZINC000027312858 384895078 /nfs/dbraw/zinc/89/50/78/384895078.db2.gz HSHDEKOKCTTXII-UHFFFAOYSA-N 1 3 229.327 2.233 20 0 BEADHO COc1ccc(CCN2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000049707594 384897186 /nfs/dbraw/zinc/89/71/86/384897186.db2.gz XRWCGEOGVYZXEM-OCCSQVGLSA-N 1 3 248.370 2.049 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@H](C)N ZINC000423447061 384900270 /nfs/dbraw/zinc/90/02/70/384900270.db2.gz OSPSHXWFVPPGJI-IGJMFERPSA-N 1 3 222.307 2.138 20 0 BEADHO C[C@H](C[NH3+])CNCc1coc2ccccc12 ZINC000258699948 384933664 /nfs/dbraw/zinc/93/36/64/384933664.db2.gz GREMNWWBMFQRON-SNVBAGLBSA-N 1 3 218.300 2.117 20 0 BEADHO COc1ccc(CNC[C@H](C)C[NH3+])cc1Cl ZINC000258671967 384936574 /nfs/dbraw/zinc/93/65/74/384936574.db2.gz CXEINFLVIXSJOH-SECBINFHSA-N 1 3 242.750 2.033 20 0 BEADHO Cc1ccsc1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000258800992 384936835 /nfs/dbraw/zinc/93/68/35/384936835.db2.gz CDTDFWSRGMEPPS-WDEREUQCSA-N 1 3 224.373 2.068 20 0 BEADHO Cc1ccccc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000258898031 384943579 /nfs/dbraw/zinc/94/35/79/384943579.db2.gz HJOGCXPIHGSTFK-ZIAGYGMSSA-N 1 3 218.344 2.007 20 0 BEADHO Cc1cnccc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404265931 384966562 /nfs/dbraw/zinc/96/65/62/384966562.db2.gz HHTKPNIPEAPNGK-WFASDCNBSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)O1 ZINC000404274806 384967101 /nfs/dbraw/zinc/96/71/01/384967101.db2.gz AHFGYRZBYAPEPR-DGAVXFQQSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C)[C@@H]2CCN)O1 ZINC000404274806 384967104 /nfs/dbraw/zinc/96/71/04/384967104.db2.gz AHFGYRZBYAPEPR-DGAVXFQQSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](CN2CCC[C@H](C)[C@@H]2CC[NH3+])O1 ZINC000404274806 384967109 /nfs/dbraw/zinc/96/71/09/384967109.db2.gz AHFGYRZBYAPEPR-DGAVXFQQSA-N 1 3 240.391 2.003 20 0 BEADHO NCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000312983565 385018695 /nfs/dbraw/zinc/01/86/95/385018695.db2.gz DVVRWYOBPLYQHI-LBPRGKRZSA-N 1 3 210.365 2.428 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404775709 385054416 /nfs/dbraw/zinc/05/44/16/385054416.db2.gz SNKSFQUUZOKWEO-OLZOCXBDSA-N 1 3 218.344 2.210 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCCSC1 ZINC000061571277 385122812 /nfs/dbraw/zinc/12/28/12/385122812.db2.gz PEOICROGXWQDTK-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CCCSC1 ZINC000061571277 385122819 /nfs/dbraw/zinc/12/28/19/385122819.db2.gz PEOICROGXWQDTK-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000227056251 385085549 /nfs/dbraw/zinc/08/55/49/385085549.db2.gz LTOCQTFKTFIULR-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200539 385106956 /nfs/dbraw/zinc/10/69/56/385106956.db2.gz WAJVGTQPDLBEFU-IPYPFGDCSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200539 385106962 /nfs/dbraw/zinc/10/69/62/385106962.db2.gz WAJVGTQPDLBEFU-IPYPFGDCSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000227200539 385106968 /nfs/dbraw/zinc/10/69/68/385106968.db2.gz WAJVGTQPDLBEFU-IPYPFGDCSA-N 1 3 232.371 2.459 20 0 BEADHO CC(C)N(C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540425 385158165 /nfs/dbraw/zinc/15/81/65/385158165.db2.gz JUSCZQKTPWFNLG-CABCVRRESA-N 1 3 247.386 2.061 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccco1 ZINC000308808932 385177036 /nfs/dbraw/zinc/17/70/36/385177036.db2.gz GQDMJWFQDXDXSE-GHMZBOCLSA-N 1 3 210.321 2.448 20 0 BEADHO C[NH+](C)CCC1CCN(Cc2ccncc2)CC1 ZINC000130271900 385233094 /nfs/dbraw/zinc/23/30/94/385233094.db2.gz HZFNMMZZPAKQLZ-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO Cc1ccc([C@@H](C)N[C@@H](C)CCC[NH3+])o1 ZINC000308895984 385251142 /nfs/dbraw/zinc/25/11/42/385251142.db2.gz ZJFNEFCDBRXVRS-GXSJLCMTSA-N 1 3 210.321 2.366 20 0 BEADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccncc1 ZINC000160945458 385311663 /nfs/dbraw/zinc/31/16/63/385311663.db2.gz OOERCCOLKHSXKL-UBHSHLNASA-N 1 3 233.359 2.250 20 0 BEADHO CC1(C)CCC[C@@H](C[N@@H+]2CC[C@H](CN)C2)C1 ZINC000647490852 385282838 /nfs/dbraw/zinc/28/28/38/385282838.db2.gz VOCAWENLJACLBV-CHWSQXEVSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@@H](C[N@H+]2CC[C@H](CN)C2)C1 ZINC000647490852 385282841 /nfs/dbraw/zinc/28/28/41/385282841.db2.gz VOCAWENLJACLBV-CHWSQXEVSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000052334198 385288246 /nfs/dbraw/zinc/28/82/46/385288246.db2.gz GJQNFHQWNKCNOR-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000397452325 385293507 /nfs/dbraw/zinc/29/35/07/385293507.db2.gz MGSHCDUSHWRUMU-QWHCGFSZSA-N 1 3 244.448 2.483 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCC1 ZINC000308996567 385338060 /nfs/dbraw/zinc/33/80/60/385338060.db2.gz MRPNRLOBOUUNFV-LLVKDONJSA-N 1 3 208.349 2.027 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](C)c1cccc(F)c1 ZINC000308972839 385328566 /nfs/dbraw/zinc/32/85/66/385328566.db2.gz HFXJGVYXYOVKKC-NXEZZACHSA-N 1 3 210.296 2.071 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1CCC1 ZINC000309075948 385397738 /nfs/dbraw/zinc/39/77/38/385397738.db2.gz KJOFGXQXLGQLQP-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[C@H](C)C[NH2+]CC1=CCN(C)CC1 ZINC000309092800 385413931 /nfs/dbraw/zinc/41/39/31/385413931.db2.gz CTTZXXVJOXXKEJ-LBPRGKRZSA-N 1 3 210.365 2.274 20 0 BEADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000309190235 385457115 /nfs/dbraw/zinc/45/71/15/385457115.db2.gz PMQYVXGLPJNIJL-CYBMUJFWSA-N 1 3 208.349 2.027 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000309190236 385457205 /nfs/dbraw/zinc/45/72/05/385457205.db2.gz PMQYVXGLPJNIJL-ZDUSSCGKSA-N 1 3 208.349 2.027 20 0 BEADHO c1ccc([C@@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000038041213 385599290 /nfs/dbraw/zinc/59/92/90/385599290.db2.gz SEYBDHBWNKXQIL-OAHLLOKOSA-N 1 3 230.355 2.479 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000250667700 385604812 /nfs/dbraw/zinc/60/48/12/385604812.db2.gz SJVXEZYSOZHYDR-BBBLOLIVSA-N 1 3 236.281 2.059 20 0 BEADHO CCCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000042491303 385584958 /nfs/dbraw/zinc/58/49/58/385584958.db2.gz ZZJAGAYGIBTLPM-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO CCCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000042491303 385584959 /nfs/dbraw/zinc/58/49/59/385584959.db2.gz ZZJAGAYGIBTLPM-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO CCCCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000042491303 385584961 /nfs/dbraw/zinc/58/49/61/385584961.db2.gz ZZJAGAYGIBTLPM-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[NH2+]C[C@H](C)CNC[C@@H](C)c1ccc(F)cc1 ZINC000414848796 385620443 /nfs/dbraw/zinc/62/04/43/385620443.db2.gz XJSPDPKOJCANAQ-NWDGAFQWSA-N 1 3 238.350 2.374 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414848796 385620445 /nfs/dbraw/zinc/62/04/45/385620445.db2.gz XJSPDPKOJCANAQ-NWDGAFQWSA-N 1 3 238.350 2.374 20 0 BEADHO Cc1nc(CNCCC[C@H]2CCC[NH2+]2)cs1 ZINC000309539898 385674100 /nfs/dbraw/zinc/67/41/00/385674100.db2.gz GFXLIYXOJDBDJE-NSHDSACASA-N 1 3 239.388 2.073 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414856878 385718267 /nfs/dbraw/zinc/71/82/67/385718267.db2.gz BENJJTNYAJBOFR-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](C[NH2+]Cc1ccsc1)CN(C)C ZINC000291800023 385709975 /nfs/dbraw/zinc/70/99/75/385709975.db2.gz XDPKSXRKWDNSHC-JTQLQIEISA-N 1 3 212.362 2.035 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414856879 385718455 /nfs/dbraw/zinc/71/84/55/385718455.db2.gz BENJJTNYAJBOFR-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO CNCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000414857548 385729075 /nfs/dbraw/zinc/72/90/75/385729075.db2.gz DWJOJOXAGRYJEV-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCCN[C@H](C)Cc1ccccc1C ZINC000414858242 385734079 /nfs/dbraw/zinc/73/40/79/385734079.db2.gz IIPNKXKDILHYLT-CYBMUJFWSA-N 1 3 220.360 2.125 20 0 BEADHO CNCCC[NH2+][C@H](C)Cc1ccccc1C ZINC000414858242 385734081 /nfs/dbraw/zinc/73/40/81/385734081.db2.gz IIPNKXKDILHYLT-CYBMUJFWSA-N 1 3 220.360 2.125 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000488291044 385734820 /nfs/dbraw/zinc/73/48/20/385734820.db2.gz GVRPXNXETTZCDX-MCIONIFRSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000488291044 385734824 /nfs/dbraw/zinc/73/48/24/385734824.db2.gz GVRPXNXETTZCDX-MCIONIFRSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000488291044 385734827 /nfs/dbraw/zinc/73/48/27/385734827.db2.gz GVRPXNXETTZCDX-MCIONIFRSA-N 1 3 222.376 2.060 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414858952 385735042 /nfs/dbraw/zinc/73/50/42/385735042.db2.gz LQUDVNLADCUDAO-UWVGGRQHSA-N 1 3 238.297 2.307 20 0 BEADHO C[NH2+]CCCN[C@@H](C)CCc1ccccc1F ZINC000414861225 385747409 /nfs/dbraw/zinc/74/74/09/385747409.db2.gz RODBDJDZAGKCRP-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000414861225 385747412 /nfs/dbraw/zinc/74/74/12/385747412.db2.gz RODBDJDZAGKCRP-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414861669 385752427 /nfs/dbraw/zinc/75/24/27/385752427.db2.gz SSHMKSQTACKNKQ-STQMWFEESA-N 1 3 220.360 2.378 20 0 BEADHO C[NH2+]CCCN[C@@H](C)[C@H](C)c1ccccc1 ZINC000414861669 385752433 /nfs/dbraw/zinc/75/24/33/385752433.db2.gz SSHMKSQTACKNKQ-STQMWFEESA-N 1 3 220.360 2.378 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@H]1CCCNC1 ZINC000414863096 385756710 /nfs/dbraw/zinc/75/67/10/385756710.db2.gz XXWUISQREWNBOT-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH3+])CNCc1cccc(C(F)(F)F)c1 ZINC000336700512 385765645 /nfs/dbraw/zinc/76/56/45/385765645.db2.gz JRLZXNDIFOHHPB-SECBINFHSA-N 1 3 246.276 2.390 20 0 BEADHO CC[N@H+](CCC(C)C)[C@H]1CCCNCC1 ZINC000309652764 385769916 /nfs/dbraw/zinc/76/99/16/385769916.db2.gz UFRXJYLWLXDERW-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC[N@@H+](CCC(C)C)[C@H]1CCCNCC1 ZINC000309652764 385769917 /nfs/dbraw/zinc/76/99/17/385769917.db2.gz UFRXJYLWLXDERW-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)CCN1 ZINC000414947438 385802062 /nfs/dbraw/zinc/80/20/62/385802062.db2.gz KVBFWHLEHRSJIX-WQVCFCJDSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414947438 385802068 /nfs/dbraw/zinc/80/20/68/385802068.db2.gz KVBFWHLEHRSJIX-WQVCFCJDSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414947806 385805163 /nfs/dbraw/zinc/80/51/63/385805163.db2.gz WZGZPYVLNJSOIZ-TUUVXOQKSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414947805 385806544 /nfs/dbraw/zinc/80/65/44/385806544.db2.gz WZGZPYVLNJSOIZ-SYAUCNOPSA-N 1 3 244.382 2.378 20 0 BEADHO CC[C@@H](NC[C@H](C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000647801125 385811332 /nfs/dbraw/zinc/81/13/32/385811332.db2.gz OQRRPFJTOQDGBI-MXWKQRLJSA-N 1 3 234.334 2.398 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)CC(F)F)[C@@H]1CCCN1 ZINC000647801125 385811337 /nfs/dbraw/zinc/81/13/37/385811337.db2.gz OQRRPFJTOQDGBI-MXWKQRLJSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCCC1 ZINC000336714661 385811738 /nfs/dbraw/zinc/81/17/38/385811738.db2.gz WCAJIDMFQVVTJW-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO Cc1ccncc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271869226 385857042 /nfs/dbraw/zinc/85/70/42/385857042.db2.gz MGJIZVSSHZHGNS-ZDUSSCGKSA-N 1 3 245.370 2.303 20 0 BEADHO Cc1ccncc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271869226 385857046 /nfs/dbraw/zinc/85/70/46/385857046.db2.gz MGJIZVSSHZHGNS-ZDUSSCGKSA-N 1 3 245.370 2.303 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804638 385838573 /nfs/dbraw/zinc/83/85/73/385838573.db2.gz WHYGTOXMOPHGRS-BLYZHGLHSA-N 1 3 242.382 2.492 20 0 BEADHO CCc1oc2ccccc2c1C[NH2+][C@@H](C)CN ZINC000414961780 385887338 /nfs/dbraw/zinc/88/73/38/385887338.db2.gz WDXZKYGNDWNRAS-JTQLQIEISA-N 1 3 232.327 2.432 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000414874693 385887718 /nfs/dbraw/zinc/88/77/18/385887718.db2.gz IURDDIMABPPJIH-QWRGUYRKSA-N 1 3 226.389 2.254 20 0 BEADHO C[C@H](CC1CCCC1)N[C@H]1CCC[NH2+]C1 ZINC000414874830 385889854 /nfs/dbraw/zinc/88/98/54/385889854.db2.gz ZMJLQANOVLTIKJ-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CC1CCCC1)N[C@H]1CCC[NH2+]C1 ZINC000414874827 385890043 /nfs/dbraw/zinc/89/00/43/385890043.db2.gz ZMJLQANOVLTIKJ-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414875696 385901955 /nfs/dbraw/zinc/90/19/55/385901955.db2.gz KHHKDUSDHNHNSP-RTXFEEFZSA-N 1 3 210.365 2.140 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H]1CCCC[C@H]1C ZINC000414965878 385914225 /nfs/dbraw/zinc/91/42/25/385914225.db2.gz WCGHEKWELNWDMR-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(CN[C@H](C)CCCC[NH3+])o1 ZINC000308973464 385923882 /nfs/dbraw/zinc/92/38/82/385923882.db2.gz BDAOBKRCINFKFA-SNVBAGLBSA-N 1 3 210.321 2.195 20 0 BEADHO CCC[NH2+]CCNC1C[C@@H](C)C[C@H](C)C1 ZINC000414872397 385865809 /nfs/dbraw/zinc/86/58/09/385865809.db2.gz PVSDKGCBGAOZFQ-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000414872897 385871534 /nfs/dbraw/zinc/87/15/34/385871534.db2.gz GMSYFQZRABWBKM-IJLUTSLNSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H](C)CN)Cc1ccccc1 ZINC000414873521 385876931 /nfs/dbraw/zinc/87/69/31/385876931.db2.gz HKPQPRSXGJNWQC-OLZOCXBDSA-N 1 3 220.360 2.050 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414873523 385877688 /nfs/dbraw/zinc/87/76/88/385877688.db2.gz HKPQPRSXGJNWQC-QWHCGFSZSA-N 1 3 220.360 2.050 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@](C)(CC)OC)C1 ZINC000638136049 385878770 /nfs/dbraw/zinc/87/87/70/385878770.db2.gz WRBKHOVNMJTZTO-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638136049 385878775 /nfs/dbraw/zinc/87/87/75/385878775.db2.gz WRBKHOVNMJTZTO-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@](C)(CC)OC)C1 ZINC000638136049 385878780 /nfs/dbraw/zinc/87/87/80/385878780.db2.gz WRBKHOVNMJTZTO-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@](C)(CC)OC)C1 ZINC000638136049 385878784 /nfs/dbraw/zinc/87/87/84/385878784.db2.gz WRBKHOVNMJTZTO-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](C)CN)C1 ZINC000414873729 385880769 /nfs/dbraw/zinc/88/07/69/385880769.db2.gz HTKFKYYDKJPQOU-YNEHKIRRSA-N 1 3 212.381 2.387 20 0 BEADHO C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCNC1 ZINC000335019746 385977887 /nfs/dbraw/zinc/97/78/87/385977887.db2.gz SEHMLVCTVUBPPX-GFCCVEGCSA-N 1 3 222.376 2.298 20 0 BEADHO C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCNC1 ZINC000335018795 385978148 /nfs/dbraw/zinc/97/81/48/385978148.db2.gz LAAFMFHCNPDONI-STQMWFEESA-N 1 3 222.376 2.298 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020806 385981262 /nfs/dbraw/zinc/98/12/62/385981262.db2.gz BDWKYJJUIGMLKA-UKRRQHHQSA-N 1 3 241.338 2.204 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000335040558 385934412 /nfs/dbraw/zinc/93/44/12/385934412.db2.gz RPZIPYQOJUHAIK-NEPJUHHUSA-N 1 3 224.373 2.498 20 0 BEADHO Cc1cnccc1C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000295009754 385941774 /nfs/dbraw/zinc/94/17/74/385941774.db2.gz ZGGBAAXWKJSENQ-AWEZNQCLSA-N 1 3 247.386 2.164 20 0 BEADHO Cc1cnccc1C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000295009754 385941780 /nfs/dbraw/zinc/94/17/80/385941780.db2.gz ZGGBAAXWKJSENQ-AWEZNQCLSA-N 1 3 247.386 2.164 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@H]2C)C1 ZINC000414066984 385941869 /nfs/dbraw/zinc/94/18/69/385941869.db2.gz IMGYRMKSBHITDD-SYQHCUMBSA-N 1 3 224.392 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 ZINC000414066977 385942823 /nfs/dbraw/zinc/94/28/23/385942823.db2.gz IMGYRMKSBHITDD-AAVRWANBSA-N 1 3 224.392 2.352 20 0 BEADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000414878883 385944498 /nfs/dbraw/zinc/94/44/98/385944498.db2.gz HYVASTXUDFQHRO-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)CN(C)C ZINC000291744023 385947016 /nfs/dbraw/zinc/94/70/16/385947016.db2.gz PHTKQOVQEUPLDV-LBPRGKRZSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@@H](CNCc1cccc2[nH]ccc21)C[NH+](C)C ZINC000291744023 385947021 /nfs/dbraw/zinc/94/70/21/385947021.db2.gz PHTKQOVQEUPLDV-LBPRGKRZSA-N 1 3 245.370 2.455 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123931514 385947570 /nfs/dbraw/zinc/94/75/70/385947570.db2.gz IEXGJXYRDXFCCP-DTWKUNHWSA-N 1 3 224.270 2.046 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123931902 385950075 /nfs/dbraw/zinc/95/00/75/385950075.db2.gz IEXGJXYRDXFCCP-IUCAKERBSA-N 1 3 224.270 2.046 20 0 BEADHO NC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CCC1 ZINC000335052518 385951431 /nfs/dbraw/zinc/95/14/31/385951431.db2.gz LTRZIHXQTWTEJU-CYBMUJFWSA-N 1 3 234.318 2.284 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1C[C@H]1C ZINC000414117308 386010648 /nfs/dbraw/zinc/01/06/48/386010648.db2.gz RVJGGNGKOPQGSN-BJJPWKGXSA-N 1 3 224.392 2.493 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000414882304 386012714 /nfs/dbraw/zinc/01/27/14/386012714.db2.gz UABUVFZZEQUROJ-IJLUTSLNSA-N 1 3 212.381 2.386 20 0 BEADHO C1CCC2(C1)CCC[C@H]2[NH2+][C@H]1CCNC1 ZINC000335062130 386029308 /nfs/dbraw/zinc/02/93/08/386029308.db2.gz XISGHRJVTVXBQU-NWDGAFQWSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H](CN)C[NH2+]CCSCc1ccccc1 ZINC000414885146 386057041 /nfs/dbraw/zinc/05/70/41/386057041.db2.gz WNMSLFGRMFGDKK-GFCCVEGCSA-N 1 3 238.400 2.104 20 0 BEADHO C[C@H](C[NH3+])CNCCSCc1ccccc1 ZINC000414885146 386057049 /nfs/dbraw/zinc/05/70/49/386057049.db2.gz WNMSLFGRMFGDKK-GFCCVEGCSA-N 1 3 238.400 2.104 20 0 BEADHO CCc1ccc(C[NH2+]C[C@H](N)CC)cc1 ZINC000414977367 386032266 /nfs/dbraw/zinc/03/22/66/386032266.db2.gz JSOPLNVRBWIFKR-CYBMUJFWSA-N 1 3 206.333 2.076 20 0 BEADHO C[C@@H](CN)C[NH2+]CCSCc1ccccc1 ZINC000414885151 386057770 /nfs/dbraw/zinc/05/77/70/386057770.db2.gz WNMSLFGRMFGDKK-LBPRGKRZSA-N 1 3 238.400 2.104 20 0 BEADHO C[C@@H](C[NH3+])CNCCSCc1ccccc1 ZINC000414885151 386057773 /nfs/dbraw/zinc/05/77/73/386057773.db2.gz WNMSLFGRMFGDKK-LBPRGKRZSA-N 1 3 238.400 2.104 20 0 BEADHO COC1(C[NH2+]C[C@H](C)CN(C)C)CCCCC1 ZINC000319780968 386062371 /nfs/dbraw/zinc/06/23/71/386062371.db2.gz ZDZMNSNHKDFJSL-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CCOC(C)(C)C)CC1 ZINC000365382124 386072870 /nfs/dbraw/zinc/07/28/70/386072870.db2.gz WJBNXTBYDMREMJ-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CCOC(C)(C)C)CC1 ZINC000365382124 386072876 /nfs/dbraw/zinc/07/28/76/386072876.db2.gz WJBNXTBYDMREMJ-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CN(C[C@@H]1C[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000414655818 386081071 /nfs/dbraw/zinc/08/10/71/386081071.db2.gz MEQCMCLHEKEVCT-HOCLYGCPSA-N 1 3 244.382 2.474 20 0 BEADHO FC1(F)CC[C@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000310087565 386083170 /nfs/dbraw/zinc/08/31/70/386083170.db2.gz BLOPNIZDEWTGOT-RYUDHWBXSA-N 1 3 244.329 2.107 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccsc1 ZINC000414984334 386093253 /nfs/dbraw/zinc/09/32/53/386093253.db2.gz GDMCCDZGPRUZDM-CMPLNLGQSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000414892270 386150171 /nfs/dbraw/zinc/15/01/71/386150171.db2.gz XTTFRFQIQSMPEX-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414350001 386152712 /nfs/dbraw/zinc/15/27/12/386152712.db2.gz YUFCXKYZYQPTRU-YVECIDJPSA-N 1 3 234.343 2.208 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414350001 386152714 /nfs/dbraw/zinc/15/27/14/386152714.db2.gz YUFCXKYZYQPTRU-YVECIDJPSA-N 1 3 234.343 2.208 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](CC)Cc1ccccc1 ZINC000414995788 386179916 /nfs/dbraw/zinc/17/99/16/386179916.db2.gz WSGKXSGXMCRONP-ZIAGYGMSSA-N 1 3 220.360 2.335 20 0 BEADHO Cc1cccc(C)c1C[NH2+]C[C@H](N)C1CC1 ZINC000414894941 386180804 /nfs/dbraw/zinc/18/08/04/386180804.db2.gz MBXWUSAERWKNLE-AWEZNQCLSA-N 1 3 218.344 2.130 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000340282436 386203284 /nfs/dbraw/zinc/20/32/84/386203284.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000340282436 386203287 /nfs/dbraw/zinc/20/32/87/386203287.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CC2(C)CCC2)C1 ZINC000340282436 386203293 /nfs/dbraw/zinc/20/32/93/386203293.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(C)CCC2)C1 ZINC000340282436 386203295 /nfs/dbraw/zinc/20/32/95/386203295.db2.gz KDSTZLZOIILNQP-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H](CCN)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414896776 386207897 /nfs/dbraw/zinc/20/78/97/386207897.db2.gz PUWPHBFCOIWFSQ-WDEREUQCSA-N 1 3 224.323 2.256 20 0 BEADHO Cc1cc(C)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131484855 386209212 /nfs/dbraw/zinc/20/92/12/386209212.db2.gz UFOCGSBCMHGCOX-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2C[C@H](CN)C[C@@H]2C)c1 ZINC000131484855 386209216 /nfs/dbraw/zinc/20/92/16/386209216.db2.gz UFOCGSBCMHGCOX-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)c1 ZINC000131484855 386209222 /nfs/dbraw/zinc/20/92/22/386209222.db2.gz UFOCGSBCMHGCOX-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132020198 386218777 /nfs/dbraw/zinc/21/87/77/386218777.db2.gz ZBZUNAZLFPKGCF-UONOGXRCSA-N 1 3 232.371 2.379 20 0 BEADHO CC(C)N(C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132090003 386219445 /nfs/dbraw/zinc/21/94/45/386219445.db2.gz JUSCZQKTPWFNLG-LSDHHAIUSA-N 1 3 247.386 2.061 20 0 BEADHO CCN(CC)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131886745 386226551 /nfs/dbraw/zinc/22/65/51/386226551.db2.gz LUKPNPRVMJHJRW-GJZGRUSLSA-N 1 3 247.386 2.063 20 0 BEADHO Cc1ccc(C[C@H](C)N(C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647886091 386294097 /nfs/dbraw/zinc/29/40/97/386294097.db2.gz PZSZCUFLZUATQV-HOCLYGCPSA-N 1 3 246.398 2.467 20 0 BEADHO Cc1cc(CN[C@H](C)CC[NH3+])cc2cccnc12 ZINC000414901728 386311743 /nfs/dbraw/zinc/31/17/43/386311743.db2.gz XJXKHTTXYOPWGE-GFCCVEGCSA-N 1 3 243.354 2.370 20 0 BEADHO CCCOc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000415003897 386264555 /nfs/dbraw/zinc/26/45/55/386264555.db2.gz GRLXGVQRPWSPJE-RYUDHWBXSA-N 1 3 236.359 2.301 20 0 BEADHO Cc1cccc(C[NH2+]C2CCNCC2)c1C ZINC000335277806 386344245 /nfs/dbraw/zinc/34/42/45/386344245.db2.gz KKQKWVUZYBDBMH-UHFFFAOYSA-N 1 3 218.344 2.145 20 0 BEADHO CC[C@@H]1Cc2ccccc2CN1C[C@@H]1CC[NH2+]C1 ZINC000647989242 386348770 /nfs/dbraw/zinc/34/87/70/386348770.db2.gz ZUUBRVLXARIXIJ-CZUORRHYSA-N 1 3 244.382 2.433 20 0 BEADHO C[NH2+]CCCN(C)CCCCC1CCOCC1 ZINC000310063087 386356315 /nfs/dbraw/zinc/35/63/15/386356315.db2.gz DVIFIBNUHFQDAQ-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO CNCCC[N@H+](C)CCCCC1CCOCC1 ZINC000310063087 386356320 /nfs/dbraw/zinc/35/63/20/386356320.db2.gz DVIFIBNUHFQDAQ-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO CNCCC[N@@H+](C)CCCCC1CCOCC1 ZINC000310063087 386356326 /nfs/dbraw/zinc/35/63/26/386356326.db2.gz DVIFIBNUHFQDAQ-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)OC)C1 ZINC000336691323 386359935 /nfs/dbraw/zinc/35/99/35/386359935.db2.gz GEIRANYNIYDJFM-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336691323 386359941 /nfs/dbraw/zinc/35/99/41/386359941.db2.gz GEIRANYNIYDJFM-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCC(C)(C)OC)C1 ZINC000336691323 386359944 /nfs/dbraw/zinc/35/99/44/386359944.db2.gz GEIRANYNIYDJFM-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCC(C)(C)OC)C1 ZINC000336691323 386359950 /nfs/dbraw/zinc/35/99/50/386359950.db2.gz GEIRANYNIYDJFM-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CCO1 ZINC000414907745 386393123 /nfs/dbraw/zinc/39/31/23/386393123.db2.gz AVSPSVOQQYNIHL-RQJABVFESA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@@H]1C ZINC000336776737 386400835 /nfs/dbraw/zinc/40/08/35/386400835.db2.gz GMLPXUPROGSJBO-KSTCHIGDSA-N 1 3 224.392 2.493 20 0 BEADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCN)C1 ZINC000414759323 386410299 /nfs/dbraw/zinc/41/02/99/386410299.db2.gz ZXAXVPLEGXDSEA-CABCVRRESA-N 1 3 232.371 2.435 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CCc2ccncc2)CC1 ZINC000277152421 386413792 /nfs/dbraw/zinc/41/37/92/386413792.db2.gz JRBRROPCKKIQOX-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000277152421 386413797 /nfs/dbraw/zinc/41/37/97/386413797.db2.gz JRBRROPCKKIQOX-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CCSCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434376 386424056 /nfs/dbraw/zinc/42/40/56/386424056.db2.gz JYSWUILMXVVVOE-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO CCSCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434376 386424060 /nfs/dbraw/zinc/42/40/60/386424060.db2.gz JYSWUILMXVVVOE-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO CO[C@@H](C)CN(CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000336714278 386434107 /nfs/dbraw/zinc/43/41/07/386434107.db2.gz QPHPUVCEJWYRBA-UONOGXRCSA-N 1 3 242.407 2.216 20 0 BEADHO CO[C@@H](C)CN(CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000336714278 386434112 /nfs/dbraw/zinc/43/41/12/386434112.db2.gz QPHPUVCEJWYRBA-UONOGXRCSA-N 1 3 242.407 2.216 20 0 BEADHO CC[C@@H]1CN(CC[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000647934370 386472848 /nfs/dbraw/zinc/47/28/48/386472848.db2.gz CDDABYTUTIGYMC-RDBSUJKOSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1CN(CC[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000647934367 386472923 /nfs/dbraw/zinc/47/29/23/386472923.db2.gz CDDABYTUTIGYMC-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1CN(CC[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000647934368 386473127 /nfs/dbraw/zinc/47/31/27/386473127.db2.gz CDDABYTUTIGYMC-MCIONIFRSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CCc1ccccc1F ZINC000415017654 386502352 /nfs/dbraw/zinc/50/23/52/386502352.db2.gz QITOZHFUXDMJPH-IJLUTSLNSA-N 1 3 238.350 2.472 20 0 BEADHO CCCc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000415016654 386502955 /nfs/dbraw/zinc/50/29/55/386502955.db2.gz OISHPWUDBVHMRP-VXGBXAGGSA-N 1 3 220.360 2.464 20 0 BEADHO C[C@@H](N[C@H]1Cc2ccc(Cl)cc2C1)[C@H](C)[NH3+] ZINC000415019168 386506100 /nfs/dbraw/zinc/50/61/00/386506100.db2.gz RPIWFSXSZPDEMU-RWEMILLDSA-N 1 3 238.762 2.133 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415022588 386510706 /nfs/dbraw/zinc/51/07/06/386510706.db2.gz VPHULTDLTHDORR-QWRGUYRKSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccccc1F ZINC000415023603 386513487 /nfs/dbraw/zinc/51/34/87/386513487.db2.gz XGVZTVZHGREGGD-MXWKQRLJSA-N 1 3 224.323 2.082 20 0 BEADHO CC(C)CCC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000415028817 386515886 /nfs/dbraw/zinc/51/58/86/386515886.db2.gz AGXZGOAHRPOSRO-KGLIPLIRSA-N 1 3 242.407 2.169 20 0 BEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC000415037383 386524197 /nfs/dbraw/zinc/52/41/97/386524197.db2.gz MGPYEKUCTOZQAY-NXEZZACHSA-N 1 3 240.297 2.182 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000414786468 386524868 /nfs/dbraw/zinc/52/48/68/386524868.db2.gz BHBPFGFGMCGDCL-GJZGRUSLSA-N 1 3 232.371 2.117 20 0 BEADHO C[C@H](CC[NH+](C)C)N[C@@H](C)Cc1ccoc1 ZINC000336757409 386586171 /nfs/dbraw/zinc/58/61/71/386586171.db2.gz YYWCOSMDHKRVFQ-NEPJUHHUSA-N 1 3 224.348 2.140 20 0 BEADHO CCc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000414800600 386588644 /nfs/dbraw/zinc/58/86/44/386588644.db2.gz SFMJEHLLMIBZFK-AWEZNQCLSA-N 1 3 220.360 2.322 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@@H](C[NH3+])C1CC1 ZINC000414799813 386593202 /nfs/dbraw/zinc/59/32/02/386593202.db2.gz DXOBBHAZXAUPOM-YGRLFVJLSA-N 1 3 236.334 2.084 20 0 BEADHO C[C@H]([NH2+]CCCN)C(C)(C)c1ccccc1 ZINC000415080394 386593733 /nfs/dbraw/zinc/59/37/33/386593733.db2.gz JEOGPDCQRJJAFO-LBPRGKRZSA-N 1 3 220.360 2.291 20 0 BEADHO C[C@H](NCCC[NH3+])C(C)(C)c1ccccc1 ZINC000415080394 386593741 /nfs/dbraw/zinc/59/37/41/386593741.db2.gz JEOGPDCQRJJAFO-LBPRGKRZSA-N 1 3 220.360 2.291 20 0 BEADHO CC(C)([NH3+])CNC[C@@H]1CCc2ccccc21 ZINC000415084090 386596258 /nfs/dbraw/zinc/59/62/58/386596258.db2.gz QXQDPPXMWCWXDR-LBPRGKRZSA-N 1 3 218.344 2.043 20 0 BEADHO C[C@H](CCC1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046562 386531159 /nfs/dbraw/zinc/53/11/59/386531159.db2.gz XMLJUQPJDMULCJ-ZZVYKPCYSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000415060437 386541170 /nfs/dbraw/zinc/54/11/70/386541170.db2.gz KGRLQOOJPXJMKB-PMKSJIGOSA-N 1 3 236.403 2.255 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1cccc2cccnc21 ZINC000414790401 386543203 /nfs/dbraw/zinc/54/32/03/386543203.db2.gz GNNVUUCOMIXUIM-CQSZACIVSA-N 1 3 243.354 2.308 20 0 BEADHO C[C@@H](CCC(F)(F)F)N[C@H]1CCCC[NH2+]C1 ZINC000415070982 386554752 /nfs/dbraw/zinc/55/47/52/386554752.db2.gz JJHGOIBKIDWTPA-UWVGGRQHSA-N 1 3 238.297 2.449 20 0 BEADHO CCOc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000414793578 386555192 /nfs/dbraw/zinc/55/51/92/386555192.db2.gz KTQWRMITAHESSK-AWEZNQCLSA-N 1 3 236.359 2.158 20 0 BEADHO Cc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000414794277 386556833 /nfs/dbraw/zinc/55/68/33/386556833.db2.gz LQNQHSNKWTVVHE-TZMCWYRMSA-N 1 3 236.334 2.351 20 0 BEADHO Cc1cccc(C[NH2+]C[C@H](N)C(C)C)c1 ZINC000414794747 386560929 /nfs/dbraw/zinc/56/09/29/386560929.db2.gz MBTUQYIJSVNZIM-ZDUSSCGKSA-N 1 3 206.333 2.068 20 0 BEADHO C[C@H](CC1CC1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919807 386562792 /nfs/dbraw/zinc/56/27/92/386562792.db2.gz XUAAOESODCJXIV-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO COCc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414795562 386572893 /nfs/dbraw/zinc/57/28/93/386572893.db2.gz MYOITAUEVJOTMQ-HUUCEWRRSA-N 1 3 248.370 2.050 20 0 BEADHO Cc1cccc(CCNC[C@@]2(C)CC[NH2+]C2)c1 ZINC000415103689 386624508 /nfs/dbraw/zinc/62/45/08/386624508.db2.gz KRNLBABHNJYFDB-OAHLLOKOSA-N 1 3 232.371 2.127 20 0 BEADHO C[C@H](CCCc1cccnc1)[NH2+]C1CCNCC1 ZINC000415105945 386628658 /nfs/dbraw/zinc/62/86/58/386628658.db2.gz GWYAUOSAPTUNJC-CYBMUJFWSA-N 1 3 247.386 2.134 20 0 BEADHO Cc1ccc(C)c(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000049256941 386604011 /nfs/dbraw/zinc/60/40/11/386604011.db2.gz BWYHOZAOONDVNR-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO CC(C)(N)C[NH2+]CCc1cc2ccccc2o1 ZINC000415093493 386613402 /nfs/dbraw/zinc/61/34/02/386613402.db2.gz VJQLBJZLEGJMEP-UHFFFAOYSA-N 1 3 232.327 2.302 20 0 BEADHO C[C@@H](N[C@H]1CCCC[NH2+]C1)C1CCSCC1 ZINC000335493674 386613653 /nfs/dbraw/zinc/61/36/53/386613653.db2.gz CCVAPOQULHFZFQ-YPMHNXCESA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)(C)[NH2+]CCN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000415107099 386618453 /nfs/dbraw/zinc/61/84/53/386618453.db2.gz ILNQPYLTDPFTCI-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH3+])N[C@H](C)Cc1ccc(Cl)cc1 ZINC000414926350 386661010 /nfs/dbraw/zinc/66/10/10/386661010.db2.gz KAHFQHWKMGQGAG-NXEZZACHSA-N 1 3 226.751 2.208 20 0 BEADHO C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000414926226 386670351 /nfs/dbraw/zinc/67/03/51/386670351.db2.gz KNKVSHXAUWTNJW-UMVBOHGHSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H]([NH3+])CCNC/C=C\c1ccc(F)cc1F ZINC000414821808 386678641 /nfs/dbraw/zinc/67/86/41/386678641.db2.gz LXEKUEQZABOICQ-ZMWSMAPVSA-N 1 3 240.297 2.305 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000414821366 386678843 /nfs/dbraw/zinc/67/88/43/386678843.db2.gz DVKRWCCGCAGNHM-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccsc1 ZINC000414823926 386680670 /nfs/dbraw/zinc/68/06/70/386680670.db2.gz PRMDSLAEUYYYDI-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccsc1 ZINC000414823926 386680676 /nfs/dbraw/zinc/68/06/76/386680676.db2.gz PRMDSLAEUYYYDI-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCNC1 ZINC000414824030 386680959 /nfs/dbraw/zinc/68/09/59/386680959.db2.gz PWWKNZCHHMMNDI-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)Cc1ccccc1 ZINC000414831007 386711122 /nfs/dbraw/zinc/71/11/22/386711122.db2.gz PBRBLCAFMCIHOU-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO C[NH2+]CCN[C@@H](C)C[C@@H](C)CC(C)C ZINC000414828624 386699498 /nfs/dbraw/zinc/69/94/98/386699498.db2.gz LAWVIIQMEPGXQO-RYUDHWBXSA-N 1 3 200.370 2.256 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000335537779 386740835 /nfs/dbraw/zinc/74/08/35/386740835.db2.gz FGWZNHNNXHASTD-GMKTYKIGSA-N 1 3 210.365 2.151 20 0 BEADHO CCCC[C@H](COC)[NH2+]CC1(N)CCCCC1 ZINC000414837366 386735728 /nfs/dbraw/zinc/73/57/28/386735728.db2.gz GZQKIVACESVUCP-CYBMUJFWSA-N 1 3 242.407 2.443 20 0 BEADHO CCCC[C@H](COC)NCC1([NH3+])CCCCC1 ZINC000414837366 386735734 /nfs/dbraw/zinc/73/57/34/386735734.db2.gz GZQKIVACESVUCP-CYBMUJFWSA-N 1 3 242.407 2.443 20 0 BEADHO CC(C)C1CC(N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000335537779 386740841 /nfs/dbraw/zinc/74/08/41/386740841.db2.gz FGWZNHNNXHASTD-GMKTYKIGSA-N 1 3 210.365 2.151 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414834868 386724142 /nfs/dbraw/zinc/72/41/42/386724142.db2.gz HZKGPGVNBXCIHG-IACUBPJLSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000414931407 386760527 /nfs/dbraw/zinc/76/05/27/386760527.db2.gz PZJIBIHRUHKRNL-QCEMKRCNSA-N 1 3 244.382 2.378 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000340712618 386760882 /nfs/dbraw/zinc/76/08/82/386760882.db2.gz PNEKRJAQTYOIDQ-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000340712626 386761191 /nfs/dbraw/zinc/76/11/91/386761191.db2.gz PNEKRJAQTYOIDQ-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO CC1(C)CCC[NH2+][C@@H]1CNC[C@H]1CCSC1 ZINC000414931847 386768166 /nfs/dbraw/zinc/76/81/66/386768166.db2.gz RXPOPHPMTMCQFH-VXGBXAGGSA-N 1 3 242.432 2.107 20 0 BEADHO CC(C)C1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000335538116 386742690 /nfs/dbraw/zinc/74/26/90/386742690.db2.gz GINYRYKMHIZAMQ-IKWCTNDRSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](C[NH3+])N[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414933763 386790542 /nfs/dbraw/zinc/79/05/42/386790542.db2.gz URZRHEBMPYVICX-UVLXDEKHSA-N 1 3 218.344 2.115 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000414844873 386771429 /nfs/dbraw/zinc/77/14/29/386771429.db2.gz RQNBWCGJMHTKAA-WUHRBBMRSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@H](NCC1(C2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000395242253 386789412 /nfs/dbraw/zinc/78/94/12/386789412.db2.gz YZHOSIWCXBQMMU-WCQYABFASA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](COC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357847310 386852571 /nfs/dbraw/zinc/85/25/71/386852571.db2.gz IXTDXMQPJOOPBE-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@H](COC)NCC(C)(C)C[NH+]1CCCC1 ZINC000357847310 386852576 /nfs/dbraw/zinc/85/25/76/386852576.db2.gz IXTDXMQPJOOPBE-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCNC1 ZINC000334850131 386898441 /nfs/dbraw/zinc/89/84/41/386898441.db2.gz SHKKHTIDCCLLTQ-ZDUSSCGKSA-N 1 3 218.344 2.145 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000334866212 386924525 /nfs/dbraw/zinc/92/45/25/386924525.db2.gz ULEOFMHTIFKVHX-WDEREUQCSA-N 1 3 224.373 2.287 20 0 BEADHO CC1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC000334867464 386926483 /nfs/dbraw/zinc/92/64/83/386926483.db2.gz GAZAVGXSJNBHAV-MVKMKZAISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH3+])C1CCN(Cc2ccc(F)cc2)CC1 ZINC000104436277 387004323 /nfs/dbraw/zinc/00/43/23/387004323.db2.gz ULIMPFUMTNWNOY-NSHDSACASA-N 1 3 236.334 2.385 20 0 BEADHO CC(C)[C@](C)([NH2+]CC[C@@H]1CCCN1C)C(N)=O ZINC000331344256 387016408 /nfs/dbraw/zinc/01/64/08/387016408.db2.gz LECTZHWCMOOBFF-AAEUAGOBSA-N 1 3 241.379 2.010 20 0 BEADHO CCOc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126903833 387072316 /nfs/dbraw/zinc/07/23/16/387072316.db2.gz BAXMBCKYOZUBNV-OCCSQVGLSA-N 1 3 248.370 2.254 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCCNc2ccccc21 ZINC000423299539 387130768 /nfs/dbraw/zinc/13/07/68/387130768.db2.gz BUEHPTDVMVUDME-RISCZKNCSA-N 1 3 233.359 2.118 20 0 BEADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000070975625 387085863 /nfs/dbraw/zinc/08/58/63/387085863.db2.gz UXDGEDUUESMTNK-GFCCVEGCSA-N 1 3 236.334 2.387 20 0 BEADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733436 387090638 /nfs/dbraw/zinc/09/06/38/387090638.db2.gz URUNTABGTHJDTF-WDEREUQCSA-N 1 3 239.388 2.183 20 0 BEADHO Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3N)ccc2[nH]1 ZINC000335008155 387102863 /nfs/dbraw/zinc/10/28/63/387102863.db2.gz HCZDQKXOOCMWLP-DZGCQCFKSA-N 1 3 243.354 2.446 20 0 BEADHO Cc1cc2cc(C[NH2+][C@H]3CCC[C@@H]3N)ccc2[nH]1 ZINC000335008158 387103487 /nfs/dbraw/zinc/10/34/87/387103487.db2.gz HCZDQKXOOCMWLP-ZFWWWQNUSA-N 1 3 243.354 2.446 20 0 BEADHO C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCN1 ZINC000335010071 387104077 /nfs/dbraw/zinc/10/40/77/387104077.db2.gz MSPACGURZKSVRC-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO C1CC2(CCCC2)[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000335011850 387106044 /nfs/dbraw/zinc/10/60/44/387106044.db2.gz VXMTVMDPVLDCJX-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)C1CCC(F)(F)CC1 ZINC000423300937 387131680 /nfs/dbraw/zinc/13/16/80/387131680.db2.gz GBQWDDIRHUCHFK-SECBINFHSA-N 1 3 232.318 2.009 20 0 BEADHO CC1=CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000335025088 387116974 /nfs/dbraw/zinc/11/69/74/387116974.db2.gz GXTCBZABIDJWPE-ZDUSSCGKSA-N 1 3 208.349 2.123 20 0 BEADHO CC1=CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000335025088 387116980 /nfs/dbraw/zinc/11/69/80/387116980.db2.gz GXTCBZABIDJWPE-ZDUSSCGKSA-N 1 3 208.349 2.123 20 0 BEADHO Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000335026556 387117906 /nfs/dbraw/zinc/11/79/06/387117906.db2.gz QFHAQNXLLQZBGT-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO C[N@H+](Cc1ccc2c(c1)CCC2)C1CCNCC1 ZINC000070499590 387067776 /nfs/dbraw/zinc/06/77/76/387067776.db2.gz PJIGRAZKDIZXHI-UHFFFAOYSA-N 1 3 244.382 2.359 20 0 BEADHO C[N@@H+](Cc1ccc2c(c1)CCC2)C1CCNCC1 ZINC000070499590 387067781 /nfs/dbraw/zinc/06/77/81/387067781.db2.gz PJIGRAZKDIZXHI-UHFFFAOYSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCCc2ccc(F)cc21 ZINC000423310632 387146734 /nfs/dbraw/zinc/14/67/34/387146734.db2.gz SDIVLVBKKWAWCU-YGRLFVJLSA-N 1 3 236.334 2.388 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423311244 387149351 /nfs/dbraw/zinc/14/93/51/387149351.db2.gz BJRMSADHVBMIRR-HZMBPMFUSA-N 1 3 234.343 2.083 20 0 BEADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000423313445 387151899 /nfs/dbraw/zinc/15/18/99/387151899.db2.gz FUCPGLOQAUNTEX-HUUCEWRRSA-N 1 3 230.355 2.309 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423313958 387154989 /nfs/dbraw/zinc/15/49/89/387154989.db2.gz XMGKBPHKAXJDBS-UXOAXIEHSA-N 1 3 232.371 2.363 20 0 BEADHO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)CN)CCC2 ZINC000423316926 387156397 /nfs/dbraw/zinc/15/63/97/387156397.db2.gz BQZWONDSYVMFHK-BDAKNGLRSA-N 1 3 239.388 2.020 20 0 BEADHO N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC000423316507 387156514 /nfs/dbraw/zinc/15/65/14/387156514.db2.gz JSSQSPODHAZMBM-ZIAGYGMSSA-N 1 3 216.328 2.001 20 0 BEADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423318162 387159399 /nfs/dbraw/zinc/15/93/99/387159399.db2.gz CFDVBFRFQDUEMN-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc([C@@H](C)NCC2(C)CC[NH2+]CC2)no1 ZINC000423319135 387159764 /nfs/dbraw/zinc/15/97/64/387159764.db2.gz CYKFRICNBGVCNW-LLVKDONJSA-N 1 3 237.347 2.023 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc2c(c1)COC2 ZINC000423342577 387193095 /nfs/dbraw/zinc/19/30/95/387193095.db2.gz YYFFNRAKVTXZQL-LLVKDONJSA-N 1 3 246.354 2.249 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(OC)c1 ZINC000423321674 387164215 /nfs/dbraw/zinc/16/42/15/387164215.db2.gz NKKLTVFQNFBEHP-HUUCEWRRSA-N 1 3 248.370 2.473 20 0 BEADHO CCc1ccc([C@H](C)NCCCC[NH3+])o1 ZINC000423321775 387164414 /nfs/dbraw/zinc/16/44/14/387164414.db2.gz FYCMPXGBQHAOIN-JTQLQIEISA-N 1 3 210.321 2.232 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1 ZINC000423329456 387172373 /nfs/dbraw/zinc/17/23/73/387172373.db2.gz SVBLGIZMMOAARL-UONOGXRCSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)[C@H]1CCCC[C@H]1C ZINC000423334547 387181031 /nfs/dbraw/zinc/18/10/31/387181031.db2.gz WREWZSXIFUHTGE-WZRBSPASSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCOC1 ZINC000251208131 387185704 /nfs/dbraw/zinc/18/57/04/387185704.db2.gz LVQWYOFXJINCOT-RDBSUJKOSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)[C@@H](C)C1CCCCC1 ZINC000423303649 387138167 /nfs/dbraw/zinc/13/81/67/387138167.db2.gz MGFDPMHGXMHCSX-NEPJUHHUSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](NCC1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000423305293 387139688 /nfs/dbraw/zinc/13/96/88/387139688.db2.gz QLBWLXYPRUUCQR-LBPRGKRZSA-N 1 3 232.371 2.162 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)C(C)(C)c1ccccc1 ZINC000423305293 387139691 /nfs/dbraw/zinc/13/96/91/387139691.db2.gz QLBWLXYPRUUCQR-LBPRGKRZSA-N 1 3 232.371 2.162 20 0 BEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccsc1 ZINC000423350444 387204019 /nfs/dbraw/zinc/20/40/19/387204019.db2.gz ZOJKEFHWWJGFTQ-SNVBAGLBSA-N 1 3 222.357 2.318 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423353891 387205999 /nfs/dbraw/zinc/20/59/99/387205999.db2.gz FFIKPTSZOWRXDZ-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1coc2ccccc12)NCC1C[NH2+]C1 ZINC000423326110 387228714 /nfs/dbraw/zinc/22/87/14/387228714.db2.gz QMUBSGWRBFIZHP-LLVKDONJSA-N 1 3 244.338 2.173 20 0 BEADHO C[C@H](Cc1coc2ccccc12)[NH2+]CC1CNC1 ZINC000423326110 387228722 /nfs/dbraw/zinc/22/87/22/387228722.db2.gz QMUBSGWRBFIZHP-LLVKDONJSA-N 1 3 244.338 2.173 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccnc1 ZINC000423399467 387234244 /nfs/dbraw/zinc/23/42/44/387234244.db2.gz PNWHEKSVUGJKKQ-YUELXQCFSA-N 1 3 247.386 2.366 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1CCCF ZINC000423403750 387240985 /nfs/dbraw/zinc/24/09/85/387240985.db2.gz ZMDUSNWGNZGMEB-JHJVBQTASA-N 1 3 230.371 2.492 20 0 BEADHO CCc1cccnc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423348553 387199955 /nfs/dbraw/zinc/19/99/55/387199955.db2.gz UCWHMBOFVLOQMJ-LBPRGKRZSA-N 1 3 245.370 2.214 20 0 BEADHO CCc1cccnc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423348552 387200351 /nfs/dbraw/zinc/20/03/51/387200351.db2.gz UCWHMBOFVLOQMJ-GFCCVEGCSA-N 1 3 245.370 2.214 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423463611 387311406 /nfs/dbraw/zinc/31/14/06/387311406.db2.gz LKMVYXQPYRKHDN-DGCLKSJQSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423384414 387268823 /nfs/dbraw/zinc/26/88/23/387268823.db2.gz FXGFCNFPEGTXAJ-QNWHQSFQSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCC3)CCN1 ZINC000423388040 387270506 /nfs/dbraw/zinc/27/05/06/387270506.db2.gz SXGHAGWDAKVCBN-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC(C)(C)C[C@H]1C ZINC000423388052 387272347 /nfs/dbraw/zinc/27/23/47/387272347.db2.gz SXNZOYBEXPKXOP-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)CCN1 ZINC000423388156 387273785 /nfs/dbraw/zinc/27/37/85/387273785.db2.gz TZBXPDYGUAJKAP-DDTOSNHZSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CCN1 ZINC000423388096 387274161 /nfs/dbraw/zinc/27/41/61/387274161.db2.gz SYHSYSLOHDTQTQ-RUZUBIRVSA-N 1 3 222.376 2.295 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H](C)CC(C)(C)C ZINC000423396080 387280732 /nfs/dbraw/zinc/28/07/32/387280732.db2.gz TUHAPJRYEXAPJA-GHMZBOCLSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCCC3)CCN1 ZINC000423394539 387281571 /nfs/dbraw/zinc/28/15/71/387281571.db2.gz ZWQCCFNKDHPXPJ-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)CN1CCCC1 ZINC000321594237 387283222 /nfs/dbraw/zinc/28/32/22/387283222.db2.gz PODKFRNQQCYMGN-AAVRWANBSA-N 1 3 224.392 2.352 20 0 BEADHO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000423433396 387284460 /nfs/dbraw/zinc/28/44/60/387284460.db2.gz CIFCUPUGVHXOAD-AXFHLTTASA-N 1 3 249.358 2.031 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccnc1 ZINC000423434598 387285769 /nfs/dbraw/zinc/28/57/69/387285769.db2.gz DATBLIPHCGFNHO-GVXVVHGQSA-N 1 3 221.348 2.104 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)C1CCCCC1 ZINC000423436641 387286218 /nfs/dbraw/zinc/28/62/18/387286218.db2.gz PZFMGDBCVDOQDK-VEESAYDSSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccnc1 ZINC000423434601 387286950 /nfs/dbraw/zinc/28/69/50/387286950.db2.gz DATBLIPHCGFNHO-MDZLAQPJSA-N 1 3 221.348 2.104 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000423441057 387289809 /nfs/dbraw/zinc/28/98/09/387289809.db2.gz JASVGWNHYFOLKF-MWODSPESSA-N 1 3 222.307 2.138 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000423441058 387289974 /nfs/dbraw/zinc/28/99/74/387289974.db2.gz JASVGWNHYFOLKF-RVBZMBCESA-N 1 3 222.307 2.138 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423447423 387298351 /nfs/dbraw/zinc/29/83/51/387298351.db2.gz OZKLNTJBNJPXND-RUMNANIHSA-N 1 3 236.334 2.384 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N ZINC000423450360 387300483 /nfs/dbraw/zinc/30/04/83/387300483.db2.gz SRQSWFRVOPYZCF-UTLUCORTSA-N 1 3 212.362 2.443 20 0 BEADHO CCCCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC)C1(C)C ZINC000423455424 387304104 /nfs/dbraw/zinc/30/41/04/387304104.db2.gz CKKQXBGAEHWCAE-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000423456200 387304552 /nfs/dbraw/zinc/30/45/52/387304552.db2.gz DKMGQTHAUHBFPO-JSGCOSHPSA-N 1 3 218.344 2.391 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423461018 387309180 /nfs/dbraw/zinc/30/91/80/387309180.db2.gz JFVSBUYPYVSPLS-GXTWGEPZSA-N 1 3 218.344 2.309 20 0 BEADHO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1cncs1 ZINC000423526915 387355714 /nfs/dbraw/zinc/35/57/14/387355714.db2.gz LWVPKRUFKMCPKV-GXSJLCMTSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cncs1 ZINC000423540464 387365653 /nfs/dbraw/zinc/36/56/53/387365653.db2.gz QKHKCFKBAPNFIC-JTQLQIEISA-N 1 3 237.372 2.104 20 0 BEADHO CC[C@@H]1C[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423545645 387371003 /nfs/dbraw/zinc/37/10/03/387371003.db2.gz JTDVKFWQQZYODZ-SYQHCUMBSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccco1 ZINC000423561093 387374873 /nfs/dbraw/zinc/37/48/73/387374873.db2.gz PRDMPQVUMJQTQA-LLVKDONJSA-N 1 3 220.316 2.240 20 0 BEADHO C1CC([C@@H]2CC[C@H]2N[C@H]2CCCC[NH2+]C2)C1 ZINC000423568605 387380112 /nfs/dbraw/zinc/38/01/12/387380112.db2.gz VQVXIVYWPIMVQO-MELADBBJSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423430496 387326822 /nfs/dbraw/zinc/32/68/22/387326822.db2.gz MTFWQQWIDMNJEE-RQJABVFESA-N 1 3 222.376 2.009 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](OC)CC1 ZINC000372796285 387328959 /nfs/dbraw/zinc/32/89/59/387328959.db2.gz BSYAWGPEPPWVFK-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@H+]1CCC[C@@H](OC)CC1 ZINC000372796285 387328960 /nfs/dbraw/zinc/32/89/60/387328960.db2.gz BSYAWGPEPPWVFK-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423482997 387329319 /nfs/dbraw/zinc/32/93/19/387329319.db2.gz XRJJVWWKBFEQDD-IINYFYTJSA-N 1 3 234.343 2.105 20 0 BEADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])CC)C12CCCC2 ZINC000423485995 387330965 /nfs/dbraw/zinc/33/09/65/387330965.db2.gz ZIJBLYSXNPDVBZ-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423486341 387334419 /nfs/dbraw/zinc/33/44/19/387334419.db2.gz WJCILUSUNVTIKH-DZGCQCFKSA-N 1 3 247.386 2.184 20 0 BEADHO Cc1cc(N)cc(C[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000423486341 387334435 /nfs/dbraw/zinc/33/44/35/387334435.db2.gz WJCILUSUNVTIKH-DZGCQCFKSA-N 1 3 247.386 2.184 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000372992403 387338242 /nfs/dbraw/zinc/33/82/42/387338242.db2.gz WYOSFVZSHGKXMG-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000372992403 387338246 /nfs/dbraw/zinc/33/82/46/387338246.db2.gz WYOSFVZSHGKXMG-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372989618 387338679 /nfs/dbraw/zinc/33/86/79/387338679.db2.gz LFFZDXHCXHFOFA-CYBMUJFWSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372989618 387338685 /nfs/dbraw/zinc/33/86/85/387338685.db2.gz LFFZDXHCXHFOFA-CYBMUJFWSA-N 1 3 212.381 2.449 20 0 BEADHO CSC1(C[NH2+]CCCN2CCCCC2)CC1 ZINC000304260331 387454704 /nfs/dbraw/zinc/45/47/04/387454704.db2.gz IZKXPRRSHTZOHH-UHFFFAOYSA-N 1 3 242.432 2.348 20 0 BEADHO CSC1(CNCCC[NH+]2CCCCC2)CC1 ZINC000304260331 387454709 /nfs/dbraw/zinc/45/47/09/387454709.db2.gz IZKXPRRSHTZOHH-UHFFFAOYSA-N 1 3 242.432 2.348 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000361071064 387395505 /nfs/dbraw/zinc/39/55/05/387395505.db2.gz ZVGFHAZYWLXNTB-MGPQQGTHSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000361071064 387395514 /nfs/dbraw/zinc/39/55/14/387395514.db2.gz ZVGFHAZYWLXNTB-MGPQQGTHSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000361071064 387395519 /nfs/dbraw/zinc/39/55/19/387395519.db2.gz ZVGFHAZYWLXNTB-MGPQQGTHSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000361071063 387396929 /nfs/dbraw/zinc/39/69/29/387396929.db2.gz ZVGFHAZYWLXNTB-MCIONIFRSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000361071063 387396936 /nfs/dbraw/zinc/39/69/36/387396936.db2.gz ZVGFHAZYWLXNTB-MCIONIFRSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000361071063 387396941 /nfs/dbraw/zinc/39/69/41/387396941.db2.gz ZVGFHAZYWLXNTB-MCIONIFRSA-N 1 3 242.407 2.120 20 0 BEADHO CCC[NH+]1CCC(N[C@H]2COC(C)(C)C2)CC1 ZINC000396839720 387499442 /nfs/dbraw/zinc/49/94/42/387499442.db2.gz FQEPIRBRPBSYMO-CYBMUJFWSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OC1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000643475975 387513562 /nfs/dbraw/zinc/51/35/62/387513562.db2.gz ZFPITISCIWAIKN-KBHBFKLGSA-N 1 3 242.407 2.438 20 0 BEADHO C[C@H](CC1CCCC1)NCC[NH2+]C1CC1 ZINC000643507320 387478043 /nfs/dbraw/zinc/47/80/43/387478043.db2.gz ZBZRTQSGGSSQBJ-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)NCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000643508383 387488962 /nfs/dbraw/zinc/48/89/62/387488962.db2.gz XSCPYVWNIALDMN-ZDUSSCGKSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@H](C)Cc1cccs1 ZINC000643511616 387593572 /nfs/dbraw/zinc/59/35/72/387593572.db2.gz LEVINDVWEQCGQJ-ZYHUDNBSSA-N 1 3 226.389 2.252 20 0 BEADHO C[C@H]([NH2+]CCCCC(C)(C)C)C1CNC1 ZINC000422716713 387628684 /nfs/dbraw/zinc/62/86/84/387628684.db2.gz NQYKWNBEGBZCLV-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](C[NH2+][C@H](C)C1CNC1)c1ccccc1 ZINC000422716450 387628904 /nfs/dbraw/zinc/62/89/04/387628904.db2.gz NEFLZPJNLFSJNR-CHWSQXEVSA-N 1 3 232.371 2.378 20 0 BEADHO CC[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422716450 387628910 /nfs/dbraw/zinc/62/89/10/387628910.db2.gz NEFLZPJNLFSJNR-CHWSQXEVSA-N 1 3 232.371 2.378 20 0 BEADHO COc1cccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422714719 387628921 /nfs/dbraw/zinc/62/89/21/387628921.db2.gz RIQDJJREDJPIRV-TUAOUCFPSA-N 1 3 236.359 2.472 20 0 BEADHO COCCCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422640735 387609891 /nfs/dbraw/zinc/60/98/91/387609891.db2.gz WAARMPRBJJSJSQ-RDBSUJKOSA-N 1 3 242.407 2.108 20 0 BEADHO COCCCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422640735 387609894 /nfs/dbraw/zinc/60/98/94/387609894.db2.gz WAARMPRBJJSJSQ-RDBSUJKOSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H]1C[C@H](C)N(Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000422641333 387610857 /nfs/dbraw/zinc/61/08/57/387610857.db2.gz XQUJCNFXBUZMJN-MBNYWOFBSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000422641333 387610859 /nfs/dbraw/zinc/61/08/59/387610859.db2.gz XQUJCNFXBUZMJN-MBNYWOFBSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000422641333 387610862 /nfs/dbraw/zinc/61/08/62/387610862.db2.gz XQUJCNFXBUZMJN-MBNYWOFBSA-N 1 3 247.386 2.074 20 0 BEADHO COCCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422640734 387611100 /nfs/dbraw/zinc/61/11/00/387611100.db2.gz WAARMPRBJJSJSQ-MJBXVCDLSA-N 1 3 242.407 2.108 20 0 BEADHO COCCCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422640734 387611104 /nfs/dbraw/zinc/61/11/04/387611104.db2.gz WAARMPRBJJSJSQ-MJBXVCDLSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1c(F)cccc1F ZINC000422692603 387613555 /nfs/dbraw/zinc/61/35/55/387613555.db2.gz KLHXHAFAZMADKS-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C1CNC1 ZINC000422703568 387617285 /nfs/dbraw/zinc/61/72/85/387617285.db2.gz NJGFLXOERIIELJ-MXWKQRLJSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CNC1 ZINC000422707164 387620315 /nfs/dbraw/zinc/62/03/15/387620315.db2.gz VUZMJWPHNPWNBX-IJLUTSLNSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccsc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422709540 387622281 /nfs/dbraw/zinc/62/22/81/387622281.db2.gz ZJARYFMHUIMOPB-ZJUUUORDSA-N 1 3 212.362 2.272 20 0 BEADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422713321 387624967 /nfs/dbraw/zinc/62/49/67/387624967.db2.gz PMMBLURXPYXBSB-OADPDTJPSA-N 1 3 248.370 2.128 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCO[C@@H]1CCCC[C@@H]1C ZINC000422716307 387627701 /nfs/dbraw/zinc/62/77/01/387627701.db2.gz UGFHHGCJQSPTBO-XDQVBPFNSA-N 1 3 242.407 2.297 20 0 BEADHO CSCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375757182 387579620 /nfs/dbraw/zinc/57/96/20/387579620.db2.gz YHXBUFCOQMFEHN-FUNVUKJBSA-N 1 3 242.432 2.297 20 0 BEADHO CSCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375757182 387579622 /nfs/dbraw/zinc/57/96/22/387579622.db2.gz YHXBUFCOQMFEHN-FUNVUKJBSA-N 1 3 242.432 2.297 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422717673 387630445 /nfs/dbraw/zinc/63/04/45/387630445.db2.gz OVACZOYAWPRRQR-UBHSHLNASA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000422717672 387631790 /nfs/dbraw/zinc/63/17/90/387631790.db2.gz OVACZOYAWPRRQR-KWCYVHTRSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000422719360 387633334 /nfs/dbraw/zinc/63/33/34/387633334.db2.gz QWCMMFGDBNGKSZ-UPJWGTAASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(F)cc1 ZINC000422726839 387635736 /nfs/dbraw/zinc/63/57/36/387635736.db2.gz GBRLFURZZWMGFV-ZJUUUORDSA-N 1 3 210.296 2.041 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422728318 387637575 /nfs/dbraw/zinc/63/75/75/387637575.db2.gz JBKUIRDBPRBAFK-NEPJUHHUSA-N 1 3 212.381 2.399 20 0 BEADHO COc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422729056 387638675 /nfs/dbraw/zinc/63/86/75/387638675.db2.gz HINJPWAQFDCZGK-WFASDCNBSA-N 1 3 248.370 2.173 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422728320 387639194 /nfs/dbraw/zinc/63/91/94/387639194.db2.gz JBKUIRDBPRBAFK-RYUDHWBXSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC000422732918 387640515 /nfs/dbraw/zinc/64/05/15/387640515.db2.gz PVGRUUXSJNIRRH-OLZOCXBDSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1ccccc1 ZINC000422732918 387640519 /nfs/dbraw/zinc/64/05/19/387640519.db2.gz PVGRUUXSJNIRRH-OLZOCXBDSA-N 1 3 220.360 2.335 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC(C)C ZINC000422733794 387641377 /nfs/dbraw/zinc/64/13/77/387641377.db2.gz RIFQHCSFHKIJSO-SNVBAGLBSA-N 1 3 221.348 2.155 20 0 BEADHO Cc1ccccc1OCCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422740802 387647552 /nfs/dbraw/zinc/64/75/52/387647552.db2.gz NFLFJMHOJBTKEL-ZIAGYGMSSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccs1 ZINC000422759455 387660801 /nfs/dbraw/zinc/66/08/01/387660801.db2.gz PCBKIXVGQJIRGA-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccs1 ZINC000422759455 387660804 /nfs/dbraw/zinc/66/08/04/387660804.db2.gz PCBKIXVGQJIRGA-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000422756388 387661833 /nfs/dbraw/zinc/66/18/33/387661833.db2.gz CICKDKIUDCTSDV-CHWSQXEVSA-N 1 3 236.384 2.248 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422765725 387665065 /nfs/dbraw/zinc/66/50/65/387665065.db2.gz LAQWPUKYGSZISK-KBPBESRZSA-N 1 3 248.345 2.327 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCOC1CCCCCC1 ZINC000422770001 387669828 /nfs/dbraw/zinc/66/98/28/387669828.db2.gz WCQSOUVFDBECCR-CHWSQXEVSA-N 1 3 242.407 2.441 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422772766 387670527 /nfs/dbraw/zinc/67/05/27/387670527.db2.gz SVINCNQCXLYDNY-XQQFMLRXSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000422771208 387670864 /nfs/dbraw/zinc/67/08/64/387670864.db2.gz XEHNNMNWXLPJCO-ZIAGYGMSSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCN(C)c1ccccc1 ZINC000422771208 387670868 /nfs/dbraw/zinc/67/08/68/387670868.db2.gz XEHNNMNWXLPJCO-ZIAGYGMSSA-N 1 3 249.402 2.228 20 0 BEADHO Cc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422770623 387671526 /nfs/dbraw/zinc/67/15/26/387671526.db2.gz UYIRLGUQRYHJGZ-NWDGAFQWSA-N 1 3 206.333 2.210 20 0 BEADHO CC[C@@H](NC[C@H](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422774634 387672639 /nfs/dbraw/zinc/67/26/39/387672639.db2.gz XURLALZVJHHOEE-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)C(C)C)[C@@H]1CCCN1 ZINC000422774634 387672645 /nfs/dbraw/zinc/67/26/45/387672645.db2.gz XURLALZVJHHOEE-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)(C)c1nc(CNCCCC[NH3+])cs1 ZINC000126423326 387682800 /nfs/dbraw/zinc/68/28/00/387682800.db2.gz SABAOOXEDHAKKP-UHFFFAOYSA-N 1 3 241.404 2.269 20 0 BEADHO Cc1cc(C)cc(CCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422783815 387682781 /nfs/dbraw/zinc/68/27/81/387682781.db2.gz NGVXXFMBIKPJHT-GJZGRUSLSA-N 1 3 232.371 2.315 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)C1CCCCC1 ZINC000422784764 387684061 /nfs/dbraw/zinc/68/40/61/387684061.db2.gz OLYPHYDKKSOLQP-MNOVXSKESA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCN1CCC([NH2+]CC2CC2)CC1 ZINC000123366811 387686720 /nfs/dbraw/zinc/68/67/20/387686720.db2.gz JDVILDMHMMJMBE-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO CCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422786381 387687161 /nfs/dbraw/zinc/68/71/61/387687161.db2.gz QIISXFFQIMKBPG-KBPBESRZSA-N 1 3 218.344 2.218 20 0 BEADHO Cc1cc(F)ccc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422867936 387749374 /nfs/dbraw/zinc/74/93/74/387749374.db2.gz TWSMJRNFZJBVBF-NEPJUHHUSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1cc(F)ccc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422867936 387749378 /nfs/dbraw/zinc/74/93/78/387749378.db2.gz TWSMJRNFZJBVBF-NEPJUHHUSA-N 1 3 238.350 2.392 20 0 BEADHO CO[C@@H](C)[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128532505 387749526 /nfs/dbraw/zinc/74/95/26/387749526.db2.gz YETHDJPOROILNJ-QWRGUYRKSA-N 1 3 242.407 2.309 20 0 BEADHO CO[C@@H](C)[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128532505 387749537 /nfs/dbraw/zinc/74/95/37/387749537.db2.gz YETHDJPOROILNJ-QWRGUYRKSA-N 1 3 242.407 2.309 20 0 BEADHO CCc1noc(CC)c1CN[C@H](C)CCC[NH3+] ZINC000422869728 387749783 /nfs/dbraw/zinc/74/97/83/387749783.db2.gz WUQACNLXSAQUNG-SNVBAGLBSA-N 1 3 239.363 2.016 20 0 BEADHO Cc1cc([C@H](C)[NH2+]C[C@H](C)N)c(C)s1 ZINC000643526332 387749965 /nfs/dbraw/zinc/74/99/65/387749965.db2.gz ZVVHNWZJWZURQO-CBAPKCEASA-N 1 3 212.362 2.363 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000128553968 387750866 /nfs/dbraw/zinc/75/08/66/387750866.db2.gz IJROWCHYEGUBNK-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000128553968 387750873 /nfs/dbraw/zinc/75/08/73/387750873.db2.gz IJROWCHYEGUBNK-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000128553968 387750878 /nfs/dbraw/zinc/75/08/78/387750878.db2.gz IJROWCHYEGUBNK-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)N)c1cccc(Cl)c1 ZINC000643525767 387753430 /nfs/dbraw/zinc/75/34/30/387753430.db2.gz FBBSEPCXVSRNCL-DTWKUNHWSA-N 1 3 212.724 2.338 20 0 BEADHO CC(C)CC1(C[NH2+][C@H](C)C2CNC2)CCC1 ZINC000422879593 387756585 /nfs/dbraw/zinc/75/65/85/387756585.db2.gz VOYUJIPVQXHWDU-GFCCVEGCSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CC12CC2 ZINC000527845022 387753434 /nfs/dbraw/zinc/75/34/34/387753434.db2.gz HPXHMLYYKOYRAV-OLZOCXBDSA-N 1 3 222.376 2.251 20 0 BEADHO COCC[C@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000045018617 387699489 /nfs/dbraw/zinc/69/94/89/387699489.db2.gz WXSPTYNRTIWMTI-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccsc1 ZINC000422802277 387701061 /nfs/dbraw/zinc/70/10/61/387701061.db2.gz DGMNSKFLPDEROK-AAEUAGOBSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000422802277 387701065 /nfs/dbraw/zinc/70/10/65/387701065.db2.gz DGMNSKFLPDEROK-AAEUAGOBSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccsc1 ZINC000422802478 387703202 /nfs/dbraw/zinc/70/32/02/387703202.db2.gz DGMNSKFLPDEROK-DGCLKSJQSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccsc1 ZINC000422802478 387703206 /nfs/dbraw/zinc/70/32/06/387703206.db2.gz DGMNSKFLPDEROK-DGCLKSJQSA-N 1 3 238.400 2.268 20 0 BEADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000422808616 387709040 /nfs/dbraw/zinc/70/90/40/387709040.db2.gz LGJMLRIAUNQJPB-YNEHKIRRSA-N 1 3 242.407 2.025 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)C(C)(C)C ZINC000422808616 387709044 /nfs/dbraw/zinc/70/90/44/387709044.db2.gz LGJMLRIAUNQJPB-YNEHKIRRSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccccc2)CC1 ZINC000422813787 387711180 /nfs/dbraw/zinc/71/11/80/387711180.db2.gz SJNODHNSEFVEQE-STQMWFEESA-N 1 3 232.371 2.434 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000422813787 387711187 /nfs/dbraw/zinc/71/11/87/387711187.db2.gz SJNODHNSEFVEQE-STQMWFEESA-N 1 3 232.371 2.434 20 0 BEADHO CCO[C@H](CCN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422814300 387712151 /nfs/dbraw/zinc/71/21/51/387712151.db2.gz UFQDSVVEBQCIBZ-BFHYXJOUSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)[C@H](C)c1ccccc1 ZINC000422817838 387713586 /nfs/dbraw/zinc/71/35/86/387713586.db2.gz DXRTWTCVZKKCEA-XQQFMLRXSA-N 1 3 232.371 2.376 20 0 BEADHO C[C@H](NCC1(c2ccccc2)CCC1)C1C[NH2+]C1 ZINC000422814469 387715792 /nfs/dbraw/zinc/71/57/92/387715792.db2.gz UZOUVLGAPSYHLC-ZDUSSCGKSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@H]([NH2+]CC1(c2ccccc2)CCC1)C1CNC1 ZINC000422814469 387715800 /nfs/dbraw/zinc/71/58/00/387715800.db2.gz UZOUVLGAPSYHLC-ZDUSSCGKSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cc(F)ccc1F ZINC000422819854 387716686 /nfs/dbraw/zinc/71/66/86/387716686.db2.gz JCSJIGZPZIAJMX-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000422819854 387716691 /nfs/dbraw/zinc/71/66/91/387716691.db2.gz JCSJIGZPZIAJMX-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C1CC2(C1)CCC[C@@H]2[NH2+][C@@H]1CCCNCC1 ZINC000643522770 387721015 /nfs/dbraw/zinc/72/10/15/387721015.db2.gz FFZMVVYBMYRENG-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000422829152 387723987 /nfs/dbraw/zinc/72/39/87/387723987.db2.gz HFSDODYYVMKJKV-SOUVJXGZSA-N 1 3 247.386 2.291 20 0 BEADHO CC(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000422829151 387724050 /nfs/dbraw/zinc/72/40/50/387724050.db2.gz HFSDODYYVMKJKV-RRFJBIMHSA-N 1 3 247.386 2.291 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422834753 387725224 /nfs/dbraw/zinc/72/52/24/387725224.db2.gz XKQANKHVNIBJFS-GXTWGEPZSA-N 1 3 240.391 2.053 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1C[C@H]1C ZINC000643522968 387725264 /nfs/dbraw/zinc/72/52/64/387725264.db2.gz QSIIMYCWLIVITC-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)[C@@H]1CCCN1 ZINC000422839643 387729645 /nfs/dbraw/zinc/72/96/45/387729645.db2.gz RAVSBGBICMONQP-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)N(C)c1ccccc1 ZINC000422856201 387740899 /nfs/dbraw/zinc/74/08/99/387740899.db2.gz FTEYQYVKLZPGSS-BFHYXJOUSA-N 1 3 249.402 2.227 20 0 BEADHO CCC1(C[NH2+][C@H](C)C2CNC2)CCCC1 ZINC000422892188 387763195 /nfs/dbraw/zinc/76/31/95/387763195.db2.gz XRFPOWODQYSMAE-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccccc1C1(CN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422899014 387765023 /nfs/dbraw/zinc/76/50/23/387765023.db2.gz GOBRJKCYXFGDAY-LSDHHAIUSA-N 1 3 244.382 2.496 20 0 BEADHO Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000422896094 387765411 /nfs/dbraw/zinc/76/54/11/387765411.db2.gz XJNLBLWWXBGMJV-IUCAKERBSA-N 1 3 212.362 2.272 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422897566 387766084 /nfs/dbraw/zinc/76/60/84/387766084.db2.gz CBULUTBBPFFUPB-MQYQWHSLSA-N 1 3 240.391 2.064 20 0 BEADHO Cc1cc([C@H](C)[NH2+]C[C@@H](C)N)cc(C)c1F ZINC000643529074 387773703 /nfs/dbraw/zinc/77/37/03/387773703.db2.gz UKJONSPXGRJHEN-MNOVXSKESA-N 1 3 224.323 2.440 20 0 BEADHO C[C@H](N)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643528167 387774363 /nfs/dbraw/zinc/77/43/63/387774363.db2.gz DUFHKGIIYBRKKM-SMDDNHRTSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000643528155 387774824 /nfs/dbraw/zinc/77/48/24/387774824.db2.gz DQOILNJGEQNNLQ-ZLKJLUDKSA-N 1 3 236.334 2.399 20 0 BEADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643529414 387776907 /nfs/dbraw/zinc/77/69/07/387776907.db2.gz ZLYUGGCPTWEZDH-VXGBXAGGSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@H](Cc1coc2ccccc12)NC[C@H](C)[NH3+] ZINC000643529896 387777074 /nfs/dbraw/zinc/77/70/74/387777074.db2.gz UNBWQVUENFEBQN-WDEREUQCSA-N 1 3 232.327 2.301 20 0 BEADHO Cc1cccc(CC[C@@H](C)NC[C@H](C)[NH3+])c1 ZINC000643529381 387777435 /nfs/dbraw/zinc/77/74/35/387777435.db2.gz ZBXOFGVXRLTGHV-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1OCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422944475 387785343 /nfs/dbraw/zinc/78/53/43/387785343.db2.gz MHXPAWOGHSUCNM-CHWSQXEVSA-N 1 3 236.359 2.089 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)Oc1ccccc1 ZINC000422980909 387790724 /nfs/dbraw/zinc/79/07/24/387790724.db2.gz MRKACFCMAKKCQA-XQQFMLRXSA-N 1 3 236.359 2.169 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1 ZINC000422983013 387794241 /nfs/dbraw/zinc/79/42/41/387794241.db2.gz SDELCAPUFCGUMB-UMVBOHGHSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Oc1ccccc1 ZINC000422983013 387794242 /nfs/dbraw/zinc/79/42/42/387794242.db2.gz SDELCAPUFCGUMB-UMVBOHGHSA-N 1 3 248.370 2.171 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422983628 387794613 /nfs/dbraw/zinc/79/46/13/387794613.db2.gz UJJXSTRZRLZHOU-HZPDHXFCSA-N 1 3 244.382 2.118 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC(F)(F)C1 ZINC000422985920 387795983 /nfs/dbraw/zinc/79/59/83/387795983.db2.gz BAJLYLBUKMCFSZ-LPEHRKFASA-N 1 3 220.307 2.280 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000422962461 387813036 /nfs/dbraw/zinc/81/30/36/387813036.db2.gz CORPZFHWZQCSLH-HTQZYQBOSA-N 1 3 212.259 2.044 20 0 BEADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(O)cc1 ZINC000422990780 387800451 /nfs/dbraw/zinc/80/04/51/387800451.db2.gz NYTZLLBGKBDPKG-GJZGRUSLSA-N 1 3 248.370 2.184 20 0 BEADHO CCOc1cccc(CCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422991760 387801081 /nfs/dbraw/zinc/80/10/81/387801081.db2.gz BOFBPJDKMPRAEN-GJZGRUSLSA-N 1 3 248.370 2.097 20 0 BEADHO c1ccc2c(c1)CC[C@H](C[NH2+]C1CCNCC1)C2 ZINC000643478068 387801388 /nfs/dbraw/zinc/80/13/88/387801388.db2.gz RSCKRZVMCCAFKY-ZDUSSCGKSA-N 1 3 244.382 2.133 20 0 BEADHO CC[C@@H](N[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422997684 387801747 /nfs/dbraw/zinc/80/17/47/387801747.db2.gz VHFJSTCRFOQMQE-XQQFMLRXSA-N 1 3 208.349 2.215 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422997684 387801751 /nfs/dbraw/zinc/80/17/51/387801751.db2.gz VHFJSTCRFOQMQE-XQQFMLRXSA-N 1 3 208.349 2.215 20 0 BEADHO c1ccc2c(c1)CC[C@@H](C[NH2+]C1CCNCC1)C2 ZINC000643478067 387802086 /nfs/dbraw/zinc/80/20/86/387802086.db2.gz RSCKRZVMCCAFKY-CYBMUJFWSA-N 1 3 244.382 2.133 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000422965068 387813436 /nfs/dbraw/zinc/81/34/36/387813436.db2.gz NMGZTJKERPNXLN-SRVKXCTJSA-N 1 3 224.348 2.316 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)CCc1ccco1 ZINC000422965068 387813439 /nfs/dbraw/zinc/81/34/39/387813439.db2.gz NMGZTJKERPNXLN-SRVKXCTJSA-N 1 3 224.348 2.316 20 0 BEADHO C[C@@H](NC[C@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000422954774 387809070 /nfs/dbraw/zinc/80/90/70/387809070.db2.gz JQHZTZLVKPOQFY-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccc(F)cc1F ZINC000643526574 387756853 /nfs/dbraw/zinc/75/68/53/387756853.db2.gz BFWXGWINYBMURD-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)C1 ZINC000527855960 387757386 /nfs/dbraw/zinc/75/73/86/387757386.db2.gz XKJUXRAHAQPYRP-MGPQQGTHSA-N 1 3 236.403 2.497 20 0 BEADHO Cc1nc(CCN[C@@H](C)C[C@H](C)[NH3+])sc1C ZINC000422889363 387759161 /nfs/dbraw/zinc/75/91/61/387759161.db2.gz GBUOJFTZKCLMKI-IUCAKERBSA-N 1 3 241.404 2.018 20 0 BEADHO COc1cccc2c1CC[C@@H]2N[C@H](C)C[C@@H](C)[NH3+] ZINC000422888908 387760242 /nfs/dbraw/zinc/76/02/42/387760242.db2.gz OGVQRTPEQZTOCX-GYSYKLTISA-N 1 3 248.370 2.398 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000643527039 387760863 /nfs/dbraw/zinc/76/08/63/387760863.db2.gz CFBIPNJURWATFP-GWCFXTLKSA-N 1 3 204.317 2.075 20 0 BEADHO C[C@@H](NC[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000422972551 387821434 /nfs/dbraw/zinc/82/14/34/387821434.db2.gz MCRKSBSPNHELHB-JHJVBQTASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)[C@H]1CCCN1 ZINC000422972551 387821436 /nfs/dbraw/zinc/82/14/36/387821436.db2.gz MCRKSBSPNHELHB-JHJVBQTASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000422976016 387827453 /nfs/dbraw/zinc/82/74/53/387827453.db2.gz CRWOEWDARUYNML-VXGBXAGGSA-N 1 3 232.371 2.117 20 0 BEADHO COCC(C)(C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432815291 387828575 /nfs/dbraw/zinc/82/85/75/387828575.db2.gz FGQPPZDKXWEQDH-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO COCC(C)(C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432815291 387828579 /nfs/dbraw/zinc/82/85/79/387828579.db2.gz FGQPPZDKXWEQDH-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO COCC(C)(C)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000432815291 387828581 /nfs/dbraw/zinc/82/85/81/387828581.db2.gz FGQPPZDKXWEQDH-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@@H](Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423010132 387833446 /nfs/dbraw/zinc/83/34/46/387833446.db2.gz XDGYIZOOUBFTJT-RAQOOLMWSA-N 1 3 234.343 2.083 20 0 BEADHO CC(C)CSCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423009563 387833854 /nfs/dbraw/zinc/83/38/54/387833854.db2.gz DJALZZCDZUMZMM-QWHCGFSZSA-N 1 3 244.448 2.353 20 0 BEADHO Cc1ccc(CC[C@@H](C)N[C@@H](C)C2C[NH2+]C2)o1 ZINC000423009907 387833994 /nfs/dbraw/zinc/83/39/94/387833994.db2.gz WJZPCNHYAWHOJB-PWSUYJOCSA-N 1 3 236.359 2.107 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C2CNC2)o1 ZINC000423009907 387833997 /nfs/dbraw/zinc/83/39/97/387833997.db2.gz WJZPCNHYAWHOJB-PWSUYJOCSA-N 1 3 236.359 2.107 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000442763708 387834853 /nfs/dbraw/zinc/83/48/53/387834853.db2.gz JBIZKZFUJNSJKW-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000442763708 387834855 /nfs/dbraw/zinc/83/48/55/387834855.db2.gz JBIZKZFUJNSJKW-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CCN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442763708 387834857 /nfs/dbraw/zinc/83/48/57/387834857.db2.gz JBIZKZFUJNSJKW-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1cccnc1)C1CC1 ZINC000423011999 387836150 /nfs/dbraw/zinc/83/61/50/387836150.db2.gz JXHZEORHWGZIQK-MJVIPROJSA-N 1 3 233.359 2.248 20 0 BEADHO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423014110 387836831 /nfs/dbraw/zinc/83/68/31/387836831.db2.gz OHNPXPQKGPCWDU-LSDHHAIUSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1[C@H]1CCc2ccc(F)cc21 ZINC000442779850 387839133 /nfs/dbraw/zinc/83/91/33/387839133.db2.gz JQVCJFMBVCIOKL-ZETOZRRWSA-N 1 3 248.345 2.482 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423031531 387846367 /nfs/dbraw/zinc/84/63/67/387846367.db2.gz LGBGSPBQFUXURI-KGLIPLIRSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000423075245 387873873 /nfs/dbraw/zinc/87/38/73/387873873.db2.gz OCHLOTDDMFBMHK-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO Cc1cnc([C@H](C)CN[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000423035769 387850517 /nfs/dbraw/zinc/85/05/17/387850517.db2.gz KDESHAYYLLBSHN-BBBLOLIVSA-N 1 3 241.404 2.270 20 0 BEADHO Cc1cnc([C@H](C)CN[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000423035771 387850763 /nfs/dbraw/zinc/85/07/63/387850763.db2.gz KDESHAYYLLBSHN-OPRDCNLKSA-N 1 3 241.404 2.270 20 0 BEADHO CC(C)O[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000423044092 387854856 /nfs/dbraw/zinc/85/48/56/387854856.db2.gz ATBZJUWYILMDHJ-MROQNXINSA-N 1 3 240.391 2.048 20 0 BEADHO CC[C@H](CC(F)(F)F)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423041247 387855007 /nfs/dbraw/zinc/85/50/07/387855007.db2.gz WQYKMTHLFRJYJD-HRDYMLBCSA-N 1 3 226.286 2.433 20 0 BEADHO CC(C)O[C@@H]1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000423053761 387861774 /nfs/dbraw/zinc/86/17/74/387861774.db2.gz SVRFRCIVXBATDV-ZDEQEGDKSA-N 1 3 242.407 2.294 20 0 BEADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1(C)C ZINC000423053761 387861778 /nfs/dbraw/zinc/86/17/78/387861778.db2.gz SVRFRCIVXBATDV-ZDEQEGDKSA-N 1 3 242.407 2.294 20 0 BEADHO CC(C)O[C@H]1C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000423053759 387861957 /nfs/dbraw/zinc/86/19/57/387861957.db2.gz SVRFRCIVXBATDV-RVMXOQNASA-N 1 3 242.407 2.294 20 0 BEADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)C1(C)C ZINC000423053759 387861965 /nfs/dbraw/zinc/86/19/65/387861965.db2.gz SVRFRCIVXBATDV-RVMXOQNASA-N 1 3 242.407 2.294 20 0 BEADHO Cc1ccncc1[C@@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643535594 387863678 /nfs/dbraw/zinc/86/36/78/387863678.db2.gz NOXWAVTVWGQRSE-TZMCWYRMSA-N 1 3 245.370 2.183 20 0 BEADHO c1cc2c(o1)CCC[C@@H]2N[C@@H]1CC12CC[NH2+]CC2 ZINC000643535587 387864306 /nfs/dbraw/zinc/86/43/06/387864306.db2.gz NJEMWYNBWLKPQT-GXTWGEPZSA-N 1 3 246.354 2.389 20 0 BEADHO Cc1ccncc1[C@@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643535593 387864494 /nfs/dbraw/zinc/86/44/94/387864494.db2.gz NOXWAVTVWGQRSE-OCCSQVGLSA-N 1 3 245.370 2.183 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C1CNC1 ZINC000423059927 387865288 /nfs/dbraw/zinc/86/52/88/387865288.db2.gz NFDZTTAOEFXORV-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@H](CC(F)(F)F)N[C@@H](C)C1C[NH2+]C1 ZINC000423059052 387865430 /nfs/dbraw/zinc/86/54/30/387865430.db2.gz KUYVBRBDQYZXGB-WPRPVWTQSA-N 1 3 238.297 2.161 20 0 BEADHO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)C1CNC1 ZINC000423059052 387865433 /nfs/dbraw/zinc/86/54/33/387865433.db2.gz KUYVBRBDQYZXGB-WPRPVWTQSA-N 1 3 238.297 2.161 20 0 BEADHO CC[C@H](N[C@H]1CC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423062020 387868415 /nfs/dbraw/zinc/86/84/15/387868415.db2.gz MCRDBOLXOMYKBQ-CYDGBPFRSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)[C@@H]1CCCN1 ZINC000423062020 387868421 /nfs/dbraw/zinc/86/84/21/387868421.db2.gz MCRDBOLXOMYKBQ-CYDGBPFRSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000422967320 387815572 /nfs/dbraw/zinc/81/55/72/387815572.db2.gz OXHLIPJOIHVFCD-UXIGCNINSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CNC1 ZINC000422967320 387815579 /nfs/dbraw/zinc/81/55/79/387815579.db2.gz OXHLIPJOIHVFCD-UXIGCNINSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccccn2)CCC1 ZINC000423101873 387889687 /nfs/dbraw/zinc/88/96/87/387889687.db2.gz DJWXHIXMYFIWIZ-QWHCGFSZSA-N 1 3 247.386 2.219 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccccn2)CCC1 ZINC000423101873 387889689 /nfs/dbraw/zinc/88/96/89/387889689.db2.gz DJWXHIXMYFIWIZ-QWHCGFSZSA-N 1 3 247.386 2.219 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000423105164 387892014 /nfs/dbraw/zinc/89/20/14/387892014.db2.gz CAKKGNDGJDSLCI-VXGBXAGGSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc2[nH]ccc21 ZINC000423105164 387892017 /nfs/dbraw/zinc/89/20/17/387892017.db2.gz CAKKGNDGJDSLCI-VXGBXAGGSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H](NC[C@@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423110909 387893664 /nfs/dbraw/zinc/89/36/64/387893664.db2.gz WGIWZWNGRBSHMD-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1C)[C@H]1CCCN1 ZINC000423110909 387893667 /nfs/dbraw/zinc/89/36/67/387893667.db2.gz WGIWZWNGRBSHMD-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N[C@@H]1CCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423109974 387893785 /nfs/dbraw/zinc/89/37/85/387893785.db2.gz OHHNMWGJKIJTPJ-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc2[nH]ccc2c1 ZINC000423109806 387894049 /nfs/dbraw/zinc/89/40/49/387894049.db2.gz UZBWRDWZCJNXPJ-VXGBXAGGSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423109806 387894052 /nfs/dbraw/zinc/89/40/52/387894052.db2.gz UZBWRDWZCJNXPJ-VXGBXAGGSA-N 1 3 245.370 2.426 20 0 BEADHO Cc1ccccc1[C@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000423109853 387894183 /nfs/dbraw/zinc/89/41/83/387894183.db2.gz VFQULCCINFGUFR-UMVBOHGHSA-N 1 3 244.382 2.439 20 0 BEADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000423109853 387894187 /nfs/dbraw/zinc/89/41/87/387894187.db2.gz VFQULCCINFGUFR-UMVBOHGHSA-N 1 3 244.382 2.439 20 0 BEADHO CCSCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116702 387898086 /nfs/dbraw/zinc/89/80/86/387898086.db2.gz REHWBCCCSXHFFT-FOSCPWQOSA-N 1 3 228.405 2.002 20 0 BEADHO CCSCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423117733 387898436 /nfs/dbraw/zinc/89/84/36/387898436.db2.gz WXIVKOAAPKANLH-RYUDHWBXSA-N 1 3 230.421 2.107 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000423087945 387880739 /nfs/dbraw/zinc/88/07/39/387880739.db2.gz QPSYKTLJDLLBHB-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)[C@H]1CCCN1 ZINC000423092549 387882733 /nfs/dbraw/zinc/88/27/33/387882733.db2.gz CIDSBBVCWATRED-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)SCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423101158 387887247 /nfs/dbraw/zinc/88/72/47/387887247.db2.gz CNXDVMJXDKUEHC-RYUDHWBXSA-N 1 3 230.421 2.106 20 0 BEADHO CC(C)SCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423101158 387887252 /nfs/dbraw/zinc/88/72/52/387887252.db2.gz CNXDVMJXDKUEHC-RYUDHWBXSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423098108 387887458 /nfs/dbraw/zinc/88/74/58/387887458.db2.gz KGFUOJPHXGRNSK-RQJABVFESA-N 1 3 224.392 2.400 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000423116159 387899115 /nfs/dbraw/zinc/89/91/15/387899115.db2.gz ZRTPHBCBTMPAGT-PUYPPJJSSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423118053 387900386 /nfs/dbraw/zinc/90/03/86/387900386.db2.gz YOTKNDDJHFAZQH-YHQUGGNUSA-N 1 3 242.407 2.296 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423121174 387900455 /nfs/dbraw/zinc/90/04/55/387900455.db2.gz IDEHMAXNKITTJC-OLZOCXBDSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H](NC[C@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423119054 387900761 /nfs/dbraw/zinc/90/07/61/387900761.db2.gz CXYXMIGLJNMLMB-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000423126549 387905361 /nfs/dbraw/zinc/90/53/61/387905361.db2.gz AVTYFZJRPLYGSL-ZQDZILKHSA-N 1 3 230.355 2.260 20 0 BEADHO CCc1noc(C)c1CN[C@@H](C)CCCC[NH3+] ZINC000423130220 387907104 /nfs/dbraw/zinc/90/71/04/387907104.db2.gz GDUYNBZMEUNGHH-JTQLQIEISA-N 1 3 239.363 2.153 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CC(C(C)(C)C)C1 ZINC000423131758 387909678 /nfs/dbraw/zinc/90/96/78/387909678.db2.gz IKXRHERYUJERJL-XVSSEFHLSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](N[C@@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000423138925 387915888 /nfs/dbraw/zinc/91/58/88/387915888.db2.gz YVEBUJKQOROWDE-MGBPRESASA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)[C@H]1CCCN1 ZINC000423138925 387915890 /nfs/dbraw/zinc/91/58/90/387915890.db2.gz YVEBUJKQOROWDE-MGBPRESASA-N 1 3 222.376 2.295 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC1(F)F ZINC000423150831 387930044 /nfs/dbraw/zinc/93/00/44/387930044.db2.gz ZHTWFQRVULGLNG-AXFHLTTASA-N 1 3 232.318 2.281 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCO1 ZINC000423150641 387930437 /nfs/dbraw/zinc/93/04/37/387930437.db2.gz BOFCXGWBJPMSTJ-BFHYXJOUSA-N 1 3 240.391 2.066 20 0 BEADHO CC[C@@H](NC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423157744 387935967 /nfs/dbraw/zinc/93/59/67/387935967.db2.gz BPYKBGMJXQBWJU-FQUUOJAGSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCN1 ZINC000423157744 387935972 /nfs/dbraw/zinc/93/59/72/387935972.db2.gz BPYKBGMJXQBWJU-FQUUOJAGSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](NC[C@@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000423143330 387921204 /nfs/dbraw/zinc/92/12/04/387921204.db2.gz CQHQIUKZQJUQPY-CMPLNLGQSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CSc2ccccc21)C1CNC1 ZINC000423143330 387921210 /nfs/dbraw/zinc/92/12/10/387921210.db2.gz CQHQIUKZQJUQPY-CMPLNLGQSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@@H](NC[C@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000423144743 387921493 /nfs/dbraw/zinc/92/14/93/387921493.db2.gz HUZGAHDPZSVEES-MWLCHTKSSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CNC1 ZINC000423144743 387921497 /nfs/dbraw/zinc/92/14/97/387921497.db2.gz HUZGAHDPZSVEES-MWLCHTKSSA-N 1 3 232.318 2.009 20 0 BEADHO Cc1ccc(F)c(CCN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423147026 387924085 /nfs/dbraw/zinc/92/40/85/387924085.db2.gz BTJNDKRHKWZXJQ-NEPJUHHUSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1ccc(F)c(CC[NH2+][C@@H](C)C[C@@H](C)N)c1 ZINC000423147026 387924088 /nfs/dbraw/zinc/92/40/88/387924088.db2.gz BTJNDKRHKWZXJQ-NEPJUHHUSA-N 1 3 238.350 2.392 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCC(C)(F)F ZINC000423147245 387924591 /nfs/dbraw/zinc/92/45/91/387924591.db2.gz RLSITZBFEJPVAP-IUCAKERBSA-N 1 3 208.296 2.137 20 0 BEADHO CCn1ccnc1[C@H](C)N[C@@H](C)CCCC[NH3+] ZINC000423146890 387924748 /nfs/dbraw/zinc/92/47/48/387924748.db2.gz BNJMASAVFPJBFA-RYUDHWBXSA-N 1 3 238.379 2.071 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccn1 ZINC000423147900 387925008 /nfs/dbraw/zinc/92/50/08/387925008.db2.gz TXOAIOBHDUJTHJ-CHWSQXEVSA-N 1 3 247.386 2.076 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000423147900 387925012 /nfs/dbraw/zinc/92/50/12/387925012.db2.gz TXOAIOBHDUJTHJ-CHWSQXEVSA-N 1 3 247.386 2.076 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccccn1 ZINC000423147903 387925318 /nfs/dbraw/zinc/92/53/18/387925318.db2.gz TXOAIOBHDUJTHJ-STQMWFEESA-N 1 3 247.386 2.076 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000423147903 387925322 /nfs/dbraw/zinc/92/53/22/387925322.db2.gz TXOAIOBHDUJTHJ-STQMWFEESA-N 1 3 247.386 2.076 20 0 BEADHO C1[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C1CCC1 ZINC000424198606 387926271 /nfs/dbraw/zinc/92/62/71/387926271.db2.gz PQURWEDGUAXOBI-APIJFGDWSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C1CCC1 ZINC000424198606 387926275 /nfs/dbraw/zinc/92/62/75/387926275.db2.gz PQURWEDGUAXOBI-APIJFGDWSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168907 387954822 /nfs/dbraw/zinc/95/48/22/387954822.db2.gz VIMUDMMBQGYZLQ-NEPJUHHUSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)C1(O)CCCC1 ZINC000423168907 387954828 /nfs/dbraw/zinc/95/48/28/387954828.db2.gz VIMUDMMBQGYZLQ-NEPJUHHUSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)C1CNC1 ZINC000423168709 387954934 /nfs/dbraw/zinc/95/49/34/387954934.db2.gz HYRVUPQRWCCGIA-ZKYQVNSYSA-N 1 3 222.376 2.010 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423169465 387955592 /nfs/dbraw/zinc/95/55/92/387955592.db2.gz VXEJGOWTWGCOCB-KGYLQXTDSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000423169465 387955595 /nfs/dbraw/zinc/95/55/95/387955595.db2.gz VXEJGOWTWGCOCB-KGYLQXTDSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+]CC1CCCCCC1)C1CNC1 ZINC000423158060 387938328 /nfs/dbraw/zinc/93/83/28/387938328.db2.gz WCTJKOLOKIQDQS-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](N)c3ccccc32)C1 ZINC000423160732 387940869 /nfs/dbraw/zinc/94/08/69/387940869.db2.gz HTOLXPIDFCKTNB-BAESOJJISA-N 1 3 246.354 2.288 20 0 BEADHO CC[C@H](C)[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423159424 387941730 /nfs/dbraw/zinc/94/17/30/387941730.db2.gz PFKPXIIYTDIFNH-DGAVXFQQSA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)OC ZINC000423159424 387941736 /nfs/dbraw/zinc/94/17/36/387941736.db2.gz PFKPXIIYTDIFNH-DGAVXFQQSA-N 1 3 242.407 2.025 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000423160971 387941963 /nfs/dbraw/zinc/94/19/63/387941963.db2.gz IFKVNZSMZPRDKY-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CCNCC1 ZINC000423162126 387944052 /nfs/dbraw/zinc/94/40/52/387944052.db2.gz KNFSGTQRJQWPHD-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1NC1CC[NH2+]CC1 ZINC000423162126 387944053 /nfs/dbraw/zinc/94/40/53/387944053.db2.gz KNFSGTQRJQWPHD-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CNC1 ZINC000423164757 387947911 /nfs/dbraw/zinc/94/79/11/387947911.db2.gz ACAWVZOSSQZSEH-SILCLGDVSA-N 1 3 232.318 2.008 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C1CNC1 ZINC000423165965 387950854 /nfs/dbraw/zinc/95/08/54/387950854.db2.gz YOCXXKPHTVUIDI-VXGBXAGGSA-N 1 3 210.365 2.319 20 0 BEADHO COC1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423172319 387958800 /nfs/dbraw/zinc/95/88/00/387958800.db2.gz SEXYCCGINHVOSS-ABXWRUBCSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC1(C)C ZINC000423171929 387959662 /nfs/dbraw/zinc/95/96/62/387959662.db2.gz QNULUENBKBLQMY-BNOWGMLFSA-N 1 3 232.371 2.333 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000423180883 387965410 /nfs/dbraw/zinc/96/54/10/387965410.db2.gz KQSVPWGASAJAKJ-FDYHWXHSSA-N 1 3 228.355 2.374 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423180560 387966384 /nfs/dbraw/zinc/96/63/84/387966384.db2.gz FFIKPTSZOWRXDZ-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCN ZINC000423183205 387968500 /nfs/dbraw/zinc/96/85/00/387968500.db2.gz HINIXSGYGNGIKO-JTQLQIEISA-N 1 3 242.313 2.224 20 0 BEADHO C[C@@H](CCc1ccc(F)cc1F)NCCC[NH3+] ZINC000423183205 387968502 /nfs/dbraw/zinc/96/85/02/387968502.db2.gz HINIXSGYGNGIKO-JTQLQIEISA-N 1 3 242.313 2.224 20 0 BEADHO C[C@@H](NCC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423181902 387968608 /nfs/dbraw/zinc/96/86/08/387968608.db2.gz JUTMRDUZQPSRFZ-HRDYMLBCSA-N 1 3 244.791 2.442 20 0 BEADHO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCN)cc1 ZINC000423187592 387972309 /nfs/dbraw/zinc/97/23/09/387972309.db2.gz KXCASEAQHQWQJD-KCPJHIHWSA-N 1 3 248.370 2.126 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423194868 387979344 /nfs/dbraw/zinc/97/93/44/387979344.db2.gz RYPLXRBIBGKWJF-TZMCWYRMSA-N 1 3 233.359 2.046 20 0 BEADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[NH3+] ZINC000423196644 387981400 /nfs/dbraw/zinc/98/14/00/387981400.db2.gz VTNFBDMTJPRJOR-YPMHNXCESA-N 1 3 218.344 2.482 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])CS1 ZINC000423189906 387972970 /nfs/dbraw/zinc/97/29/70/387972970.db2.gz RMHKHGUVWPVCQE-WRWGMCAJSA-N 1 3 228.405 2.130 20 0 BEADHO [NH3+]CCN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000423189706 387973681 /nfs/dbraw/zinc/97/36/81/387973681.db2.gz RBTASTZMDITWRT-CYBMUJFWSA-N 1 3 238.762 2.209 20 0 BEADHO C[C@@H](NC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000238375647 387974063 /nfs/dbraw/zinc/97/40/63/387974063.db2.gz SDFAWIMHEMUDAO-YPMHNXCESA-N 1 3 210.365 2.439 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645812119 387978267 /nfs/dbraw/zinc/97/82/67/387978267.db2.gz NLCBMWPUQYZOGV-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000645812119 387978269 /nfs/dbraw/zinc/97/82/69/387978269.db2.gz NLCBMWPUQYZOGV-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCNC ZINC000423201626 387988255 /nfs/dbraw/zinc/98/82/55/387988255.db2.gz PFNCVMVJSMDBDX-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+]C1CCC(CSC)CC1 ZINC000423202583 387988855 /nfs/dbraw/zinc/98/88/55/387988855.db2.gz RDRKAMCYZJIMKO-UHFFFAOYSA-N 1 3 230.421 2.107 20 0 BEADHO COC[C@H]([NH2+]CC1(N)CCCCCC1)C1CC1 ZINC000423202599 387988925 /nfs/dbraw/zinc/98/89/25/387988925.db2.gz REKJOFOMPTXUMY-ZDUSSCGKSA-N 1 3 240.391 2.053 20 0 BEADHO COC[C@H](NCC1([NH3+])CCCCCC1)C1CC1 ZINC000423202599 387988928 /nfs/dbraw/zinc/98/89/28/387988928.db2.gz REKJOFOMPTXUMY-ZDUSSCGKSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423213064 387995463 /nfs/dbraw/zinc/99/54/63/387995463.db2.gz MUXGXGBFVJPJKR-RFQIPJPRSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cccc2c1[C@@H](C)C[C@H]2NCCC[NH3+] ZINC000423196643 387982331 /nfs/dbraw/zinc/98/23/31/387982331.db2.gz VTNFBDMTJPRJOR-WCQYABFASA-N 1 3 218.344 2.482 20 0 BEADHO CCO[C@H]1C[C@@H](NCCC[NH2+]C)C1(CC)CC ZINC000423198088 387983634 /nfs/dbraw/zinc/98/36/34/387983634.db2.gz CZWZJNACGOBRBD-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO CCC1(CC)[C@H]([NH2+]CCCNC)[C@@H](C)[C@@H]1OC ZINC000423197857 387983835 /nfs/dbraw/zinc/98/38/35/387983835.db2.gz BNROEMAKZHRYBN-UPJWGTAASA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H](NCCC[NH2+]C)[C@@H](C)[C@@H]1OC ZINC000423197857 387983838 /nfs/dbraw/zinc/98/38/38/387983838.db2.gz BNROEMAKZHRYBN-UPJWGTAASA-N 1 3 242.407 2.025 20 0 BEADHO CNCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423199358 387986616 /nfs/dbraw/zinc/98/66/16/387986616.db2.gz JXAPWKMYEUPVOX-JTQLQIEISA-N 1 3 234.334 2.400 20 0 BEADHO C[C@H](CCC[NH3+])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424375327 387999534 /nfs/dbraw/zinc/99/95/34/387999534.db2.gz MUJJTVOLNUKRQD-XBFCOCLRSA-N 1 3 236.334 2.341 20 0 BEADHO CCC1CC([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000423218001 387999673 /nfs/dbraw/zinc/99/96/73/387999673.db2.gz QYJLLYUGHZNOOR-CQLXCSJHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CC[C@H]([NH2+][C@@H]1CCNC1)C1CC1 ZINC000423216997 388000423 /nfs/dbraw/zinc/00/04/23/388000423.db2.gz RCAGKLJZFRCENM-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO C[NH2+]CCN[C@@H](C)[C@H](C)C1CCCCC1 ZINC000423222484 388003876 /nfs/dbraw/zinc/00/38/76/388003876.db2.gz BGODMHYNRYOMIM-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc2c(c1)COC2 ZINC000423223940 388005439 /nfs/dbraw/zinc/00/54/39/388005439.db2.gz IAPRKABOMLVVGP-WDEREUQCSA-N 1 3 234.343 2.105 20 0 BEADHO Cc1ccc([C@@H](C)NCC[C@H](C)[NH3+])s1 ZINC000423226472 388009246 /nfs/dbraw/zinc/00/92/46/388009246.db2.gz QVYJKVFJAHIDNR-WCBMZHEXSA-N 1 3 212.362 2.444 20 0 BEADHO COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])c(C)c1 ZINC000423227447 388010732 /nfs/dbraw/zinc/01/07/32/388010732.db2.gz VVXFNZDJCQMGNV-NWDGAFQWSA-N 1 3 236.359 2.392 20 0 BEADHO C[NH2+]CCN[C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000423240004 388024546 /nfs/dbraw/zinc/02/45/46/388024546.db2.gz GRIUCJUMDHZBOH-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCN[C@H]1CC[C@@H](CCC(C)C)C1 ZINC000423240997 388024656 /nfs/dbraw/zinc/02/46/56/388024656.db2.gz HPARBXCEGDGTJI-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423243449 388025666 /nfs/dbraw/zinc/02/56/66/388025666.db2.gz WNMNJRBDSQDEOT-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423243449 388025668 /nfs/dbraw/zinc/02/56/68/388025668.db2.gz WNMNJRBDSQDEOT-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000423227085 388011999 /nfs/dbraw/zinc/01/19/99/388011999.db2.gz UKVWSSXBHDKTRO-IDKOKCKLSA-N 1 3 220.307 2.137 20 0 BEADHO CCC[C@H](NCC[C@H](C)[NH3+])c1cccnc1 ZINC000423226948 388012042 /nfs/dbraw/zinc/01/20/42/388012042.db2.gz SWYCQESDJDFLCR-AAEUAGOBSA-N 1 3 221.348 2.250 20 0 BEADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000423230087 388015419 /nfs/dbraw/zinc/01/54/19/388015419.db2.gz INNRLAJESHGCAE-FZMZJTMJSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCc2ccccc21 ZINC000423236162 388021249 /nfs/dbraw/zinc/02/12/49/388021249.db2.gz RPSPRASMLWZZCJ-GWCFXTLKSA-N 1 3 204.317 2.001 20 0 BEADHO COc1ccc2c(c1)CCC[C@H]2NCC[C@H](C)[NH3+] ZINC000423238490 388022378 /nfs/dbraw/zinc/02/23/78/388022378.db2.gz VEYRPILJMXKZMV-XHDPSFHLSA-N 1 3 248.370 2.400 20 0 BEADHO CC[NH2+]CCN[C@H](C)C1CCC(F)(F)CC1 ZINC000423251287 388033701 /nfs/dbraw/zinc/03/37/01/388033701.db2.gz VRQJDDJSQKNRLQ-SNVBAGLBSA-N 1 3 234.334 2.400 20 0 BEADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000423253797 388035043 /nfs/dbraw/zinc/03/50/43/388035043.db2.gz WIGWCJZQKSHGGK-NWDGAFQWSA-N 1 3 236.334 2.476 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CNC)[C@H]1CC1(C)C ZINC000423255732 388036912 /nfs/dbraw/zinc/03/69/12/388036912.db2.gz APZNKWMKLRQBJB-TUAOUCFPSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc([C@H](C)NCC[C@H]2CC[NH2+]C2)o1 ZINC000423254669 388037664 /nfs/dbraw/zinc/03/76/64/388037664.db2.gz ZBZPXVPZPMOUID-NWDGAFQWSA-N 1 3 222.332 2.238 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000083056514 388044480 /nfs/dbraw/zinc/04/44/80/388044480.db2.gz GOIMDCYUHFDILZ-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423264523 388042106 /nfs/dbraw/zinc/04/21/06/388042106.db2.gz CDXDHYJCRURPRR-GLQYFDAESA-N 1 3 232.371 2.493 20 0 BEADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)Cc1ccoc1 ZINC000423264313 388042960 /nfs/dbraw/zinc/04/29/60/388042960.db2.gz PVWPOIKFBPPPGZ-AAEUAGOBSA-N 1 3 224.348 2.174 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)CNC)C1CCCC1 ZINC000423266188 388044184 /nfs/dbraw/zinc/04/41/84/388044184.db2.gz CYYDSEWFJDRZNZ-DGCLKSJQSA-N 1 3 212.381 2.400 20 0 BEADHO CCc1cccnc1[C@H](C)NCCCC[NH3+] ZINC000423325172 388053410 /nfs/dbraw/zinc/05/34/10/388053410.db2.gz LEAFNRFXQZMJFY-NSHDSACASA-N 1 3 221.348 2.034 20 0 BEADHO CCC1CC([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423277795 388059133 /nfs/dbraw/zinc/05/91/33/388059133.db2.gz OSSYDZKVWVZAKJ-MVKMKZAISA-N 1 3 210.365 2.282 20 0 BEADHO Cc1cc([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)no1 ZINC000423281919 388063612 /nfs/dbraw/zinc/06/36/12/388063612.db2.gz VYXRFMSLRYITPO-NEPJUHHUSA-N 1 3 237.347 2.023 20 0 BEADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)N)c(C)c1 ZINC000423286647 388070533 /nfs/dbraw/zinc/07/05/33/388070533.db2.gz HXZFOMDOEYHLFU-NSHDSACASA-N 1 3 236.359 2.392 20 0 BEADHO CCCCO[C@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423286398 388070920 /nfs/dbraw/zinc/07/09/20/388070920.db2.gz GZHYSRACNQBIMQ-RYUDHWBXSA-N 1 3 242.407 2.297 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1 ZINC000084215451 388073443 /nfs/dbraw/zinc/07/34/43/388073443.db2.gz AQVMHPUPDGCRMP-ZIAGYGMSSA-N 1 3 218.344 2.294 20 0 BEADHO CCO[C@H]1C[C@H](NCC(C)(C)[NH3+])C12CCCC2 ZINC000423289595 388074189 /nfs/dbraw/zinc/07/41/89/388074189.db2.gz XUQKDOFLRKUHPN-RYUDHWBXSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)CO[C@@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423290370 388075024 /nfs/dbraw/zinc/07/50/24/388075024.db2.gz ZVPBVTYNUZSPEP-NWDGAFQWSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000423294445 388077754 /nfs/dbraw/zinc/07/77/54/388077754.db2.gz BYUKXNVXSJSLGB-VXGBXAGGSA-N 1 3 232.371 2.421 20 0 BEADHO CCC[C@H](NC[C@@H](C)C[NH3+])c1cccnc1 ZINC000423298430 388080360 /nfs/dbraw/zinc/08/03/60/388080360.db2.gz AACGURXOQKDCDV-AAEUAGOBSA-N 1 3 221.348 2.107 20 0 BEADHO Cc1csc([C@H](C)N[C@H](C)CCC[NH3+])n1 ZINC000336659884 388086751 /nfs/dbraw/zinc/08/67/51/388086751.db2.gz BPQNDKGDHDQTGQ-SCZZXKLOSA-N 1 3 227.377 2.230 20 0 BEADHO CSCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494481 388103718 /nfs/dbraw/zinc/10/37/18/388103718.db2.gz WXTWDRARRHDWTH-XQQFMLRXSA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423265243 388044797 /nfs/dbraw/zinc/04/47/97/388044797.db2.gz CRODXQRNFCBDQC-ZIAGYGMSSA-N 1 3 236.334 2.386 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1c2ccccc2C[C@H]1C ZINC000423267432 388045238 /nfs/dbraw/zinc/04/52/38/388045238.db2.gz DZEGAAHELRUIEK-ZOWXZIJZSA-N 1 3 232.371 2.365 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423271206 388050119 /nfs/dbraw/zinc/05/01/19/388050119.db2.gz IRXOIACKTSVQIU-CJNGLKHVSA-N 1 3 246.398 2.453 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324824578 388124962 /nfs/dbraw/zinc/12/49/62/388124962.db2.gz SZEVDBNOFIJYAI-RDBSUJKOSA-N 1 3 222.376 2.425 20 0 BEADHO C[C@@H](Cc1ccoc1)NCC(C)(C)C[NH+](C)C ZINC000449060721 388137718 /nfs/dbraw/zinc/13/77/18/388137718.db2.gz GQECQTVYSMMBDH-LBPRGKRZSA-N 1 3 238.375 2.388 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000449095308 388140927 /nfs/dbraw/zinc/14/09/27/388140927.db2.gz XQSKYQIGFNPCGJ-YNEHKIRRSA-N 1 3 242.432 2.059 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)[C@H](C)O1 ZINC000449178569 388153511 /nfs/dbraw/zinc/15/35/11/388153511.db2.gz XPNPLKVPIHHRMZ-BJJPWKGXSA-N 1 3 240.391 2.015 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)O1 ZINC000449178569 388153512 /nfs/dbraw/zinc/15/35/12/388153512.db2.gz XPNPLKVPIHHRMZ-BJJPWKGXSA-N 1 3 240.391 2.015 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000449455704 388210102 /nfs/dbraw/zinc/21/01/02/388210102.db2.gz LOSYAEYVCHLIBI-ASOISWSRSA-N 1 3 210.365 2.273 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449455704 388210104 /nfs/dbraw/zinc/21/01/04/388210104.db2.gz LOSYAEYVCHLIBI-ASOISWSRSA-N 1 3 210.365 2.273 20 0 BEADHO CC(C)OC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560641 388232337 /nfs/dbraw/zinc/23/23/37/388232337.db2.gz NXZJSZOCIQFJRE-RLAWYHOSSA-N 1 3 240.391 2.015 20 0 BEADHO CC(C)OC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560641 388232340 /nfs/dbraw/zinc/23/23/40/388232340.db2.gz NXZJSZOCIQFJRE-RLAWYHOSSA-N 1 3 240.391 2.015 20 0 BEADHO C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1CN ZINC000164665239 388242971 /nfs/dbraw/zinc/24/29/71/388242971.db2.gz SBIHQKKKMLLHFJ-NEPJUHHUSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1CN ZINC000164665239 388242972 /nfs/dbraw/zinc/24/29/72/388242972.db2.gz SBIHQKKKMLLHFJ-NEPJUHHUSA-N 1 3 212.381 2.339 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1CCC(CF)CC1 ZINC000451394824 388269042 /nfs/dbraw/zinc/26/90/42/388269042.db2.gz PLTZHSRPUDAZBI-ZDUSSCGKSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1CCC(CF)CC1 ZINC000451394824 388269044 /nfs/dbraw/zinc/26/90/44/388269044.db2.gz PLTZHSRPUDAZBI-ZDUSSCGKSA-N 1 3 228.355 2.152 20 0 BEADHO COc1cc(CNCCC[NH+]2CCC2)ccc1C ZINC000572854893 388381313 /nfs/dbraw/zinc/38/13/13/388381313.db2.gz QFDSVTIILWFINZ-UHFFFAOYSA-N 1 3 248.370 2.189 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000572887574 388384386 /nfs/dbraw/zinc/38/43/86/388384386.db2.gz USSUOHFJZKCOKO-VHDGCEQUSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000300785728 388393818 /nfs/dbraw/zinc/39/38/18/388393818.db2.gz BEBQREPYARJJFF-GMTAPVOTSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300799598 388394858 /nfs/dbraw/zinc/39/48/58/388394858.db2.gz CTRMBHOSIKMXJO-MXWKQRLJSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300799598 388394862 /nfs/dbraw/zinc/39/48/62/388394862.db2.gz CTRMBHOSIKMXJO-MXWKQRLJSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCC(F)(F)C1 ZINC000300997948 388397798 /nfs/dbraw/zinc/39/77/98/388397798.db2.gz VHKLEWWKLKSFKN-GMTAPVOTSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H](NC1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000335158298 388449346 /nfs/dbraw/zinc/44/93/46/388449346.db2.gz SBZADZFRFGKSEY-ZYHUDNBSSA-N 1 3 228.405 2.002 20 0 BEADHO Cc1cccnc1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000405034073 388450230 /nfs/dbraw/zinc/45/02/30/388450230.db2.gz QHEGYZKHVJBSRS-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccnc1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000405034073 388450231 /nfs/dbraw/zinc/45/02/31/388450231.db2.gz QHEGYZKHVJBSRS-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO CC[C@@H](C)[C@@H](C)[N@H+](CCCNC)C1CC1 ZINC000336674219 388461386 /nfs/dbraw/zinc/46/13/86/388461386.db2.gz KBVBWKQULVASRN-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@@H](C)[C@@H](C)[N@@H+](CCCNC)C1CC1 ZINC000336674219 388461388 /nfs/dbraw/zinc/46/13/88/388461388.db2.gz KBVBWKQULVASRN-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](c1ccccc1)C1CC1 ZINC000336688893 388463623 /nfs/dbraw/zinc/46/36/23/388463623.db2.gz VWUNXRXGOFEUTB-BXUZGUMPSA-N 1 3 218.344 2.322 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310083124 388475631 /nfs/dbraw/zinc/47/56/31/388475631.db2.gz LBRZJXFJUBWWNJ-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310083124 388475632 /nfs/dbraw/zinc/47/56/32/388475632.db2.gz LBRZJXFJUBWWNJ-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000310384337 388481877 /nfs/dbraw/zinc/48/18/77/388481877.db2.gz QBFIYEGLMXMJOA-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000310384337 388481878 /nfs/dbraw/zinc/48/18/78/388481878.db2.gz QBFIYEGLMXMJOA-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO COc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000310966978 388490836 /nfs/dbraw/zinc/49/08/36/388490836.db2.gz COJQTJUXKJAKLD-IUODEOHRSA-N 1 3 248.370 2.112 20 0 BEADHO COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000310966978 388490841 /nfs/dbraw/zinc/49/08/41/388490841.db2.gz COJQTJUXKJAKLD-IUODEOHRSA-N 1 3 248.370 2.112 20 0 BEADHO COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000310966978 388490844 /nfs/dbraw/zinc/49/08/44/388490844.db2.gz COJQTJUXKJAKLD-IUODEOHRSA-N 1 3 248.370 2.112 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000397864872 388507267 /nfs/dbraw/zinc/50/72/67/388507267.db2.gz ZPEYQIODACHKEI-HYNSBDGHSA-N 1 3 248.395 2.472 20 0 BEADHO C[C@@H]1C[C@@H](C)[NH+]1CCCN1CCCCC1 ZINC000548096655 388510906 /nfs/dbraw/zinc/51/09/06/388510906.db2.gz FFIZROGSFNYSAR-CHWSQXEVSA-N 1 3 210.365 2.345 20 0 BEADHO Cc1ccccc1C[NH2+]CC1=CCN(C)CC1 ZINC000345145916 388511324 /nfs/dbraw/zinc/51/13/24/388511324.db2.gz SPUXBCLBMADWNN-UHFFFAOYSA-N 1 3 230.355 2.347 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000516877924 388521597 /nfs/dbraw/zinc/52/15/97/388521597.db2.gz RAMYPWFOMRYABP-HBNTYKKESA-N 1 3 232.318 2.281 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CCCCOC)C1 ZINC000081571800 388584861 /nfs/dbraw/zinc/58/48/61/388584861.db2.gz ZNGSEFGLAIDATQ-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCOC)C1 ZINC000081571800 388584863 /nfs/dbraw/zinc/58/48/63/388584863.db2.gz ZNGSEFGLAIDATQ-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CCCCOC)C1 ZINC000081571800 388584865 /nfs/dbraw/zinc/58/48/65/388584865.db2.gz ZNGSEFGLAIDATQ-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CCCCOC)C1 ZINC000081571800 388584866 /nfs/dbraw/zinc/58/48/66/388584866.db2.gz ZNGSEFGLAIDATQ-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000191804356 388670112 /nfs/dbraw/zinc/67/01/12/388670112.db2.gz DKRNZHFQAXQCHV-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000191804356 388670113 /nfs/dbraw/zinc/67/01/13/388670113.db2.gz DKRNZHFQAXQCHV-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1CC[C@H](C)[C@@H]1C ZINC000191804356 388670114 /nfs/dbraw/zinc/67/01/14/388670114.db2.gz DKRNZHFQAXQCHV-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248374787 388677355 /nfs/dbraw/zinc/67/73/55/388677355.db2.gz UCQYOHNOAKDWQR-RWMBFGLXSA-N 1 3 210.365 2.201 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248374787 388677356 /nfs/dbraw/zinc/67/73/56/388677356.db2.gz UCQYOHNOAKDWQR-RWMBFGLXSA-N 1 3 210.365 2.201 20 0 BEADHO CC[C@@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000248373986 388677540 /nfs/dbraw/zinc/67/75/40/388677540.db2.gz NBMUDDKVYMFFPT-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000248373986 388677542 /nfs/dbraw/zinc/67/75/42/388677542.db2.gz NBMUDDKVYMFFPT-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000248373986 388677545 /nfs/dbraw/zinc/67/75/45/388677545.db2.gz NBMUDDKVYMFFPT-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530176644 388621804 /nfs/dbraw/zinc/62/18/04/388621804.db2.gz DUTYDDDUOQFXQM-IJLUTSLNSA-N 1 3 208.349 2.049 20 0 BEADHO CCC[C@@H](C)C[NH2+][C@H]1CCNC12CCC2 ZINC000530178565 388622137 /nfs/dbraw/zinc/62/21/37/388622137.db2.gz OMJRDBVYGQXPDO-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179167 388622202 /nfs/dbraw/zinc/62/22/02/388622202.db2.gz UVYVXXPSBXXJJZ-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530179167 388622204 /nfs/dbraw/zinc/62/22/04/388622204.db2.gz UVYVXXPSBXXJJZ-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530179355 388623113 /nfs/dbraw/zinc/62/31/13/388623113.db2.gz XEDUQMXZMKZMSE-NWDGAFQWSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530217917 388630083 /nfs/dbraw/zinc/63/00/83/388630083.db2.gz JCWDBKXJBDBPEG-CHWSQXEVSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530217917 388630085 /nfs/dbraw/zinc/63/00/85/388630085.db2.gz JCWDBKXJBDBPEG-CHWSQXEVSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1CN(CC2CC(C)(C)C2)CC[C@H]1[NH3+] ZINC000530217917 388630087 /nfs/dbraw/zinc/63/00/87/388630087.db2.gz JCWDBKXJBDBPEG-CHWSQXEVSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000530222909 388633982 /nfs/dbraw/zinc/63/39/82/388633982.db2.gz IRNCGANPUMHQSV-AAEUAGOBSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000530222909 388633984 /nfs/dbraw/zinc/63/39/84/388633984.db2.gz IRNCGANPUMHQSV-AAEUAGOBSA-N 1 3 224.392 2.339 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261551913 388643991 /nfs/dbraw/zinc/64/39/91/388643991.db2.gz MOQZSFFIDQFTQJ-RRFJBIMHSA-N 1 3 230.355 2.164 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261551912 388644167 /nfs/dbraw/zinc/64/41/67/388644167.db2.gz MOQZSFFIDQFTQJ-KKUMJFAQSA-N 1 3 230.355 2.164 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261551915 388644524 /nfs/dbraw/zinc/64/45/24/388644524.db2.gz MOQZSFFIDQFTQJ-ZNMIVQPWSA-N 1 3 230.355 2.164 20 0 BEADHO COCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000247030554 388657509 /nfs/dbraw/zinc/65/75/09/388657509.db2.gz NOLJLDROLZGZEV-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C1CC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250652510 388738334 /nfs/dbraw/zinc/73/83/34/388738334.db2.gz MRUGVJXLUDOKBZ-YNEHKIRRSA-N 1 3 208.349 2.049 20 0 BEADHO CC(C)Oc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000066147959 388710326 /nfs/dbraw/zinc/71/03/26/388710326.db2.gz UFZKVGPTUVZZOY-GFCCVEGCSA-N 1 3 236.359 2.301 20 0 BEADHO CN(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000127832132 388732234 /nfs/dbraw/zinc/73/22/34/388732234.db2.gz BLASCDFIFXIVAJ-UHFFFAOYSA-N 1 3 232.371 2.255 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000228150078 388770727 /nfs/dbraw/zinc/77/07/27/388770727.db2.gz ZFGHCPBRMVQXCP-WDEREUQCSA-N 1 3 224.373 2.226 20 0 BEADHO CCN(CC1CCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000230320742 388824109 /nfs/dbraw/zinc/82/41/09/388824109.db2.gz QQPCKLALTDCBNT-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNCCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000565762633 388967845 /nfs/dbraw/zinc/96/78/45/388967845.db2.gz BHSHHYHBOCGAMK-GFCCVEGCSA-N 1 3 212.381 2.402 20 0 BEADHO COc1ccc(CN[C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000565593362 388956056 /nfs/dbraw/zinc/95/60/56/388956056.db2.gz SRNHCQXACXKSRR-NWDGAFQWSA-N 1 3 236.359 2.219 20 0 BEADHO CC[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000572574343 388982327 /nfs/dbraw/zinc/98/23/27/388982327.db2.gz HBLPQQOHERRNPY-ZFWWWQNUSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000572574343 388982332 /nfs/dbraw/zinc/98/23/32/388982332.db2.gz HBLPQQOHERRNPY-ZFWWWQNUSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+]CC1=CCN(C)CC1 ZINC000271836594 389026624 /nfs/dbraw/zinc/02/66/24/389026624.db2.gz GDKZBDAWOYJLRY-CYBMUJFWSA-N 1 3 248.370 2.452 20 0 BEADHO C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN1 ZINC000400635439 533367688 /nfs/dbraw/zinc/36/76/88/533367688.db2.gz MREBKPCYLHAFFX-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC000352003344 134034731 /nfs/dbraw/zinc/03/47/31/134034731.db2.gz LLXTYQZFSNGIHB-NEPJUHHUSA-N 1 3 216.344 2.008 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352003344 134034732 /nfs/dbraw/zinc/03/47/32/134034732.db2.gz LLXTYQZFSNGIHB-NEPJUHHUSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@@H](Cc1cccs1)N[C@H]1CCC[NH2+]CC1 ZINC000168723822 134247356 /nfs/dbraw/zinc/24/73/56/134247356.db2.gz ROZVKNNGDLVYSZ-RYUDHWBXSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCNCC1 ZINC000168723822 134247357 /nfs/dbraw/zinc/24/73/57/134247357.db2.gz ROZVKNNGDLVYSZ-RYUDHWBXSA-N 1 3 238.400 2.411 20 0 BEADHO CC1(C)C(C[NH2+][C@@H]2CCCNCC2)C1(C)C ZINC000168768879 134247718 /nfs/dbraw/zinc/24/77/18/134247718.db2.gz QHEASJYWGFUMKE-LLVKDONJSA-N 1 3 224.392 2.400 20 0 BEADHO C1=CC[C@@H](C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000168744211 134248039 /nfs/dbraw/zinc/24/80/39/134248039.db2.gz BTKCCUPQEKDWJO-CHWSQXEVSA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1C ZINC000173989130 134277523 /nfs/dbraw/zinc/27/75/23/134277523.db2.gz FVXDOWTUIMMQKR-STQMWFEESA-N 1 3 210.365 2.345 20 0 BEADHO C[C@H]1CCCN1CCC[N@H+]1CCC[C@@H]1C ZINC000173989130 134277524 /nfs/dbraw/zinc/27/75/24/134277524.db2.gz FVXDOWTUIMMQKR-STQMWFEESA-N 1 3 210.365 2.345 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCC(C)C)C1 ZINC000173884809 134278554 /nfs/dbraw/zinc/27/85/54/134278554.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC000173884809 134278555 /nfs/dbraw/zinc/27/85/55/134278555.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCC(C)C)C1 ZINC000173884809 134278556 /nfs/dbraw/zinc/27/85/56/134278556.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCC(C)C)C1 ZINC000173884809 134278557 /nfs/dbraw/zinc/27/85/57/134278557.db2.gz RKOGXESOLJSIGM-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000220516354 134309754 /nfs/dbraw/zinc/30/97/54/134309754.db2.gz XAPXJJLDMJFHBG-LLVKDONJSA-N 1 3 206.333 2.076 20 0 BEADHO Cc1ccc([C@@H](C)N(C)CCC[NH3+])cc1 ZINC000227745179 134392128 /nfs/dbraw/zinc/39/21/28/134392128.db2.gz CITFBEVLVPERFW-GFCCVEGCSA-N 1 3 206.333 2.337 20 0 BEADHO CC(C)CCC[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000250508843 135055683 /nfs/dbraw/zinc/05/56/83/135055683.db2.gz AVYBVBKYXPLCCL-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CCC[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000250508843 135055685 /nfs/dbraw/zinc/05/56/85/135055685.db2.gz AVYBVBKYXPLCCL-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251285189 135068164 /nfs/dbraw/zinc/06/81/64/135068164.db2.gz FDQYHCSGRCLJME-FRRDWIJNSA-N 1 3 212.381 2.386 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000086403900 135083538 /nfs/dbraw/zinc/08/35/38/135083538.db2.gz AOUQYENQOIZUFK-WDEREUQCSA-N 1 3 224.373 2.416 20 0 BEADHO CCSCCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246732697 135083669 /nfs/dbraw/zinc/08/36/69/135083669.db2.gz MGNJOUBBMRPZRK-NWDGAFQWSA-N 1 3 230.421 2.154 20 0 BEADHO CCSCCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246732697 135083671 /nfs/dbraw/zinc/08/36/71/135083671.db2.gz MGNJOUBBMRPZRK-NWDGAFQWSA-N 1 3 230.421 2.154 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@@H]1C ZINC000252162519 135085935 /nfs/dbraw/zinc/08/59/35/135085935.db2.gz PZSZSXXNEMHNQU-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1CCCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000252186070 135087021 /nfs/dbraw/zinc/08/70/21/135087021.db2.gz QVQFCDZOIQMHDA-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCCC[N@H+]1C[C@H]1CCCNC1 ZINC000252186070 135087022 /nfs/dbraw/zinc/08/70/22/135087022.db2.gz QVQFCDZOIQMHDA-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC1 ZINC000086499924 135087599 /nfs/dbraw/zinc/08/75/99/135087599.db2.gz YQHOUZQDMVWJLZ-MJBXVCDLSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccccc1 ZINC000261595245 135110335 /nfs/dbraw/zinc/11/03/35/135110335.db2.gz XYPPYPWYMRTMSQ-NSHDSACASA-N 1 3 204.317 2.219 20 0 BEADHO Cc1ccc([C@H](C)NCCC[NH3+])cc1F ZINC000087284269 135117312 /nfs/dbraw/zinc/11/73/12/135117312.db2.gz DGXZCCUTAXJLNH-JTQLQIEISA-N 1 3 210.296 2.134 20 0 BEADHO CCC[C@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253009824 135119636 /nfs/dbraw/zinc/11/96/36/135119636.db2.gz BAPHXZMXAWXCAQ-MCIONIFRSA-N 1 3 242.407 2.048 20 0 BEADHO CCc1ccc(C[NH2+]CC(C)(C)N)cc1 ZINC000258791912 135134368 /nfs/dbraw/zinc/13/43/68/135134368.db2.gz JHUUWMGBWMGTHG-UHFFFAOYSA-N 1 3 206.333 2.076 20 0 BEADHO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000257782415 135142015 /nfs/dbraw/zinc/14/20/15/135142015.db2.gz QLPVATVGLHXTPK-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000257782415 135142016 /nfs/dbraw/zinc/14/20/16/135142016.db2.gz QLPVATVGLHXTPK-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCCN(C)CCCc1ccccc1 ZINC000087472272 135143048 /nfs/dbraw/zinc/14/30/48/135143048.db2.gz CMKPKOKWFIOQQZ-UHFFFAOYSA-N 1 3 220.360 2.161 20 0 BEADHO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261529288 135155052 /nfs/dbraw/zinc/15/50/52/135155052.db2.gz AOBAGDSKDXVXSO-MNOVXSKESA-N 1 3 206.333 2.074 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000261529756 135156921 /nfs/dbraw/zinc/15/69/21/135156921.db2.gz VCKMSSLTNUWBAY-BDAKNGLRSA-N 1 3 212.724 2.165 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCC[C@@H](C)C1 ZINC000261530637 135158137 /nfs/dbraw/zinc/15/81/37/135158137.db2.gz CWZZBTQGWYSFDC-VOAKCMCISA-N 1 3 210.365 2.234 20 0 BEADHO Cc1ccsc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261531319 135160246 /nfs/dbraw/zinc/16/02/46/135160246.db2.gz GCLKHZCNHOOPEF-GFCCVEGCSA-N 1 3 224.373 2.227 20 0 BEADHO Cc1ccsc1C[N@@H+]1CC[C@](C)(CN)C1 ZINC000261531319 135160248 /nfs/dbraw/zinc/16/02/48/135160248.db2.gz GCLKHZCNHOOPEF-GFCCVEGCSA-N 1 3 224.373 2.227 20 0 BEADHO Cc1ccsc1C[N@H+]1CC[C@](C)(CN)C1 ZINC000261531319 135160250 /nfs/dbraw/zinc/16/02/50/135160250.db2.gz GCLKHZCNHOOPEF-GFCCVEGCSA-N 1 3 224.373 2.227 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000087646034 135161397 /nfs/dbraw/zinc/16/13/97/135161397.db2.gz JUXZVNCDYBRTCN-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)(C)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000261531855 135161664 /nfs/dbraw/zinc/16/16/64/135161664.db2.gz IBNMQQXKXZGCHV-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2)C1 ZINC000261533592 135165273 /nfs/dbraw/zinc/16/52/73/135165273.db2.gz LAIOAKFFYIYTPX-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](N)C2)c1C ZINC000261534301 135167289 /nfs/dbraw/zinc/16/72/89/135167289.db2.gz PQMXPQAQYXAQCW-BXUZGUMPSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N)C2)c1C ZINC000261534301 135167291 /nfs/dbraw/zinc/16/72/91/135167291.db2.gz PQMXPQAQYXAQCW-BXUZGUMPSA-N 1 3 218.344 2.082 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000261535020 135168991 /nfs/dbraw/zinc/16/89/91/135168991.db2.gz VSPMZFKYJCZFRG-WCQYABFASA-N 1 3 222.376 2.284 20 0 BEADHO CC1(C)CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000261537168 135174158 /nfs/dbraw/zinc/17/41/58/135174158.db2.gz VBJNUZTYXWOJDD-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261539320 135177798 /nfs/dbraw/zinc/17/77/98/135177798.db2.gz CCRCMMGMJILHSB-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261539320 135177799 /nfs/dbraw/zinc/17/77/99/135177799.db2.gz CCRCMMGMJILHSB-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1[NH3+] ZINC000261540279 135179381 /nfs/dbraw/zinc/17/93/81/135179381.db2.gz FOEYTZBFVYKWDI-ZYHUDNBSSA-N 1 3 227.311 2.018 20 0 BEADHO CC[N@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCCNCC1 ZINC000261542623 135183126 /nfs/dbraw/zinc/18/31/26/135183126.db2.gz GZMNZXBCCRRDJE-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCCNCC1 ZINC000261542623 135183127 /nfs/dbraw/zinc/18/31/27/135183127.db2.gz GZMNZXBCCRRDJE-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CCCNCC1 ZINC000261542624 135183422 /nfs/dbraw/zinc/18/34/22/135183422.db2.gz GZMNZXBCCRRDJE-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CCCNCC1 ZINC000261542624 135183423 /nfs/dbraw/zinc/18/34/23/135183423.db2.gz GZMNZXBCCRRDJE-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H](C)N ZINC000261549576 135188379 /nfs/dbraw/zinc/18/83/79/135188379.db2.gz KQTVCDDMIFGAES-DTWKUNHWSA-N 1 3 244.285 2.113 20 0 BEADHO C[C@@H]1CC[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261552341 135191168 /nfs/dbraw/zinc/19/11/68/135191168.db2.gz RDFBAFBXKNMERM-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](CN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553593 135192757 /nfs/dbraw/zinc/19/27/57/135192757.db2.gz OBNHSEOTJIGQMB-UKRRQHHQSA-N 1 3 232.371 2.461 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000084218730 135193299 /nfs/dbraw/zinc/19/32/99/135193299.db2.gz HAWQQMUODBFYJD-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000261562615 135204815 /nfs/dbraw/zinc/20/48/15/135204815.db2.gz BKWPCBZVHDPCPG-COPLHBTASA-N 1 3 218.344 2.389 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000261564145 135206227 /nfs/dbraw/zinc/20/62/27/135206227.db2.gz XNCHYNQJSSRABR-CQSZACIVSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(F)cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564736 135206753 /nfs/dbraw/zinc/20/67/53/135206753.db2.gz HLFFRXGXANSTNY-NILFDRSVSA-N 1 3 248.345 2.303 20 0 BEADHO Cc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261566585 135208908 /nfs/dbraw/zinc/20/89/08/135208908.db2.gz ZDDYZVFSBJPZBM-ZNMIVQPWSA-N 1 3 230.355 2.164 20 0 BEADHO C[C@H]1CCC[C@H](C[NH+]2CCC(N)CC2)C1 ZINC000084344410 135210058 /nfs/dbraw/zinc/21/00/58/135210058.db2.gz XZOHCXNNXJSUOL-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCC[C@H](CN2CCC([NH3+])CC2)C1 ZINC000084344410 135210061 /nfs/dbraw/zinc/21/00/61/135210061.db2.gz XZOHCXNNXJSUOL-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO CNC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000084329944 135211415 /nfs/dbraw/zinc/21/14/15/135211415.db2.gz WMZGVHCKQCBDFF-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329944 135211417 /nfs/dbraw/zinc/21/14/17/135211417.db2.gz WMZGVHCKQCBDFF-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCSCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000164012604 135211928 /nfs/dbraw/zinc/21/19/28/135211928.db2.gz KMJVVIQMIYHQLA-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CCSCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164012604 135211930 /nfs/dbraw/zinc/21/19/30/135211930.db2.gz KMJVVIQMIYHQLA-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO Cc1ccsc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261575055 135216485 /nfs/dbraw/zinc/21/64/85/135216485.db2.gz JOKGIOXCQFFCGS-SRVKXCTJSA-N 1 3 236.384 2.226 20 0 BEADHO c1cc2c(s1)CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000084384475 135218320 /nfs/dbraw/zinc/21/83/20/135218320.db2.gz BDLVZPQVRPNTPG-NSHDSACASA-N 1 3 236.384 2.106 20 0 BEADHO C[N@H+](C[C@@H]1CCCNC1)C(C1CC1)C1CC1 ZINC000261577655 135219290 /nfs/dbraw/zinc/21/92/90/135219290.db2.gz LGXIMFKLTFMVRH-LLVKDONJSA-N 1 3 222.376 2.106 20 0 BEADHO C[N@@H+](C[C@@H]1CCCNC1)C(C1CC1)C1CC1 ZINC000261577655 135219292 /nfs/dbraw/zinc/21/92/92/135219292.db2.gz LGXIMFKLTFMVRH-LLVKDONJSA-N 1 3 222.376 2.106 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000261580990 135221701 /nfs/dbraw/zinc/22/17/01/135221701.db2.gz QGVDSYPBTDDYBZ-YIKOMLBNSA-N 1 3 246.354 2.288 20 0 BEADHO CC1CCC(C[NH2+][C@@H]2CCNC[C@@H]2C)CC1 ZINC000261582808 135224427 /nfs/dbraw/zinc/22/44/27/135224427.db2.gz OSIRHHWQUXRDMM-GNRIBBGQSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cc(F)ccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261585270 135225910 /nfs/dbraw/zinc/22/59/10/135225910.db2.gz SYCOEISHVRGNQR-CFVMTHIKSA-N 1 3 248.345 2.303 20 0 BEADHO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000261585510 135227115 /nfs/dbraw/zinc/22/71/15/135227115.db2.gz QMVJCYFCQVMRML-MXWKQRLJSA-N 1 3 222.332 2.082 20 0 BEADHO C[C@@H]1CN(CC2CCC(C)(C)CC2)C[C@H]1[NH3+] ZINC000261587256 135228272 /nfs/dbraw/zinc/22/82/72/135228272.db2.gz RPIYWLFIMCJURV-DGCLKSJQSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C[C@@H]1C ZINC000261586986 135228374 /nfs/dbraw/zinc/22/83/74/135228374.db2.gz RLOLMQJTJSSXLZ-IKOXMDCHSA-N 1 3 224.392 2.399 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261593404 135233390 /nfs/dbraw/zinc/23/33/90/135233390.db2.gz WUAHUPUVSXPRJM-MXWKQRLJSA-N 1 3 222.332 2.082 20 0 BEADHO C[NH2+]CCC1CCN(Cc2cccnc2C)CC1 ZINC000261594211 135234084 /nfs/dbraw/zinc/23/40/84/135234084.db2.gz ZTPYJFUNCNSHGX-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CCCNC1 ZINC000261546363 135238577 /nfs/dbraw/zinc/23/85/77/135238577.db2.gz KWYUBRNJUFHSOI-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCCNC1 ZINC000261546363 135238579 /nfs/dbraw/zinc/23/85/79/135238579.db2.gz KWYUBRNJUFHSOI-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714637 135247426 /nfs/dbraw/zinc/24/74/26/135247426.db2.gz FBDCNGKZOCFCTC-TZMCWYRMSA-N 1 3 224.392 2.354 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261748579 135249892 /nfs/dbraw/zinc/24/98/92/135249892.db2.gz VYYYQCKNYHUBMZ-AWEZNQCLSA-N 1 3 247.386 2.042 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261748579 135249893 /nfs/dbraw/zinc/24/98/93/135249893.db2.gz VYYYQCKNYHUBMZ-AWEZNQCLSA-N 1 3 247.386 2.042 20 0 BEADHO CC(C)(N)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000261792184 135253359 /nfs/dbraw/zinc/25/33/59/135253359.db2.gz GFGWLQOMAOOLHK-OAHLLOKOSA-N 1 3 232.371 2.387 20 0 BEADHO CC(C)(N)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000261792184 135253360 /nfs/dbraw/zinc/25/33/60/135253360.db2.gz GFGWLQOMAOOLHK-OAHLLOKOSA-N 1 3 232.371 2.387 20 0 BEADHO C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917403 135262591 /nfs/dbraw/zinc/26/25/91/135262591.db2.gz ZUHBSANXONROJQ-KBPBESRZSA-N 1 3 236.403 2.498 20 0 BEADHO CC1(C)CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261965502 135267169 /nfs/dbraw/zinc/26/71/69/135267169.db2.gz PUBRGNZCAVPVSP-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261965502 135267170 /nfs/dbraw/zinc/26/71/70/135267170.db2.gz PUBRGNZCAVPVSP-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261984035 135270033 /nfs/dbraw/zinc/27/00/33/135270033.db2.gz JMJBEQXJISNDLP-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)CC12CCC2 ZINC000262012351 135272119 /nfs/dbraw/zinc/27/21/19/135272119.db2.gz VEJYUCKSNDTXOY-UONOGXRCSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)CC12CCC2 ZINC000262012351 135272120 /nfs/dbraw/zinc/27/21/20/135272120.db2.gz VEJYUCKSNDTXOY-UONOGXRCSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(CN(CC2CC2)C2CCC2)CC[NH2+]C1 ZINC000262064454 135277214 /nfs/dbraw/zinc/27/72/14/135277214.db2.gz RLCBZPNZLHLUKP-AWEZNQCLSA-N 1 3 222.376 2.251 20 0 BEADHO NCC[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000262990142 135325534 /nfs/dbraw/zinc/32/55/34/135325534.db2.gz NOUSLCSHYOBKIR-MRXNPFEDSA-N 1 3 244.382 2.315 20 0 BEADHO NCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000262990142 135325536 /nfs/dbraw/zinc/32/55/36/135325536.db2.gz NOUSLCSHYOBKIR-MRXNPFEDSA-N 1 3 244.382 2.315 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC000084215932 135467627 /nfs/dbraw/zinc/46/76/27/135467627.db2.gz CPAVKGZWKZYTTC-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007136 135864060 /nfs/dbraw/zinc/86/40/60/135864060.db2.gz FOXSRJAFCZKDQA-DGCLKSJQSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@H]([NH2+]C1CCC(C)(C)CC1)C1CNC1 ZINC000335217478 135959856 /nfs/dbraw/zinc/95/98/56/135959856.db2.gz OIFSHMBTGXLBGI-JTQLQIEISA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@H]2CC23CC3)CC1 ZINC000335281844 136000378 /nfs/dbraw/zinc/00/03/78/136000378.db2.gz ZPAMCAPWMQZCGW-LBPRGKRZSA-N 1 3 222.376 2.391 20 0 BEADHO FC1(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000348336940 136075794 /nfs/dbraw/zinc/07/57/94/136075794.db2.gz SPPNAIRNRHNKEM-OLZOCXBDSA-N 1 3 240.366 2.485 20 0 BEADHO FC1(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000348336940 136075795 /nfs/dbraw/zinc/07/57/95/136075795.db2.gz SPPNAIRNRHNKEM-OLZOCXBDSA-N 1 3 240.366 2.485 20 0 BEADHO CCOC[C@H]([NH2+]CC[C@@H]1CCCN1C)C(C)C ZINC000348481043 136080005 /nfs/dbraw/zinc/08/00/05/136080005.db2.gz SXWCOHUZHMGNOO-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@H](NCC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000348481043 136080006 /nfs/dbraw/zinc/08/00/06/136080006.db2.gz SXWCOHUZHMGNOO-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@H](NCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000348481043 136080007 /nfs/dbraw/zinc/08/00/07/136080007.db2.gz SXWCOHUZHMGNOO-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC1(F)CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000335373833 136084662 /nfs/dbraw/zinc/08/46/62/136084662.db2.gz OHBCBYZXPSWXOA-CQLXCSJHSA-N 1 3 226.339 2.093 20 0 BEADHO CC1(F)CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000335373833 136084663 /nfs/dbraw/zinc/08/46/63/136084663.db2.gz OHBCBYZXPSWXOA-CQLXCSJHSA-N 1 3 226.339 2.093 20 0 BEADHO CC1(F)CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000335373834 136084782 /nfs/dbraw/zinc/08/47/82/136084782.db2.gz OHBCBYZXPSWXOA-GMKTYKIGSA-N 1 3 226.339 2.093 20 0 BEADHO CC1(F)CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000335373834 136084783 /nfs/dbraw/zinc/08/47/83/136084783.db2.gz OHBCBYZXPSWXOA-GMKTYKIGSA-N 1 3 226.339 2.093 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)N ZINC000335599112 136114076 /nfs/dbraw/zinc/11/40/76/136114076.db2.gz NPEJAXLZCYUHOC-RNCFNFMXSA-N 1 3 236.334 2.386 20 0 BEADHO Cc1cccc(OCC[NH2+][C@H]2C[C@@H](N)C2(C)C)c1 ZINC000404785182 397732896 /nfs/dbraw/zinc/73/28/96/397732896.db2.gz PHAKUQZHTAPXMQ-KGLIPLIRSA-N 1 3 248.370 2.089 20 0 BEADHO COc1cccc([C@H]2CCCN2CCC[NH3+])c1 ZINC000414676913 398015778 /nfs/dbraw/zinc/01/57/78/398015778.db2.gz IEHATUYDDRQZQE-CQSZACIVSA-N 1 3 234.343 2.181 20 0 BEADHO C[C@@H](C[NH2+]C1CCNCC1)Cc1ccccc1 ZINC000414774342 398033418 /nfs/dbraw/zinc/03/34/18/398033418.db2.gz AXYAQXMEXYYVPZ-CYBMUJFWSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H](CN(C)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000382752862 397972429 /nfs/dbraw/zinc/97/24/29/397972429.db2.gz JDZDRUHLAKLCCE-KGLIPLIRSA-N 1 3 232.371 2.331 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000414853996 398061972 /nfs/dbraw/zinc/06/19/72/398061972.db2.gz LSHPHKKEOGPEBM-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](Cc1cccs1)NCC(C)(C)[NH3+] ZINC000389332743 398076282 /nfs/dbraw/zinc/07/62/82/398076282.db2.gz VOWPWKJFHOFUGY-VIFPVBQESA-N 1 3 212.362 2.006 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222254272 398095460 /nfs/dbraw/zinc/09/54/60/398095460.db2.gz MNLBAAQZLANUKR-QJPTWQEYSA-N 1 3 230.421 2.378 20 0 BEADHO c1ccc2c(c1)CC(NC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000414829720 398050986 /nfs/dbraw/zinc/05/09/86/398050986.db2.gz OAIFYOQKSOVMFK-MZBDJJRSSA-N 1 3 242.366 2.026 20 0 BEADHO CC[NH2+]CCNC[C@@H]1CCC[C@H](CC)C1 ZINC000414829862 398051506 /nfs/dbraw/zinc/05/15/06/398051506.db2.gz NIIDKYNDRPNDMN-QWHCGFSZSA-N 1 3 212.381 2.402 20 0 BEADHO CC[NH2+]CCNC[C@H]1CCC[C@H](CC)C1 ZINC000414829865 398051663 /nfs/dbraw/zinc/05/16/63/398051663.db2.gz NIIDKYNDRPNDMN-STQMWFEESA-N 1 3 212.381 2.402 20 0 BEADHO c1cncc(CNCCCCC[NH+]2CCCC2)c1 ZINC000293143309 398113026 /nfs/dbraw/zinc/11/30/26/398113026.db2.gz UIFARLDHQQRRKG-UHFFFAOYSA-N 1 3 247.386 2.437 20 0 BEADHO Cc1ccc(F)cc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000334845223 487572495 /nfs/dbraw/zinc/57/24/95/487572495.db2.gz KCHXTHNRQCHSET-KBPBESRZSA-N 1 3 236.334 2.494 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000337348556 167256001 /nfs/dbraw/zinc/25/60/01/167256001.db2.gz ZBPDHKAFFLOSDY-MGPQQGTHSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC[C@@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000337348556 167256003 /nfs/dbraw/zinc/25/60/03/167256003.db2.gz ZBPDHKAFFLOSDY-MGPQQGTHSA-N 1 3 242.407 2.262 20 0 BEADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)CS1 ZINC000086934482 487591092 /nfs/dbraw/zinc/59/10/92/487591092.db2.gz XAKSNOVJLZIJKD-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000086935460 487592918 /nfs/dbraw/zinc/59/29/18/487592918.db2.gz XNXSLOZZELLKER-FRRDWIJNSA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CS[C@H](C)C2)C1 ZINC000086935460 487592927 /nfs/dbraw/zinc/59/29/27/487592927.db2.gz XNXSLOZZELLKER-FRRDWIJNSA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CS[C@H](C)C2)C1 ZINC000086935460 487592935 /nfs/dbraw/zinc/59/29/35/487592935.db2.gz XNXSLOZZELLKER-FRRDWIJNSA-N 1 3 242.432 2.200 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000668820995 487595607 /nfs/dbraw/zinc/59/56/07/487595607.db2.gz ZZCGQSMIIVMAOT-BPLDGKMQSA-N 1 3 236.403 2.354 20 0 BEADHO [NH3+]CCCNCCOc1cccc2ccccc21 ZINC000349157560 487597182 /nfs/dbraw/zinc/59/71/82/487597182.db2.gz HGCBGZRGPYAYCR-UHFFFAOYSA-N 1 3 244.338 2.157 20 0 BEADHO CC1CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001651698333 1172976871 /nfs/dbraw/zinc/97/68/71/1172976871.db2.gz VIELEPHZLKWKGJ-FWJBWGTRSA-N 1 3 236.403 2.495 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cccs3)[C@@H]2C1 ZINC001651698259 1172977208 /nfs/dbraw/zinc/97/72/08/1172977208.db2.gz UDYXAXLYVBCINI-CYZMBNFOSA-N 1 3 236.384 2.178 20 0 BEADHO NC[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246137 409541749 /nfs/dbraw/zinc/54/17/49/409541749.db2.gz PUWOFEAAWOKKDJ-UKRRQHHQSA-N 1 3 244.382 2.387 20 0 BEADHO NC[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246137 409541755 /nfs/dbraw/zinc/54/17/55/409541755.db2.gz PUWOFEAAWOKKDJ-UKRRQHHQSA-N 1 3 244.382 2.387 20 0 BEADHO NC[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246135 409541865 /nfs/dbraw/zinc/54/18/65/409541865.db2.gz PUWOFEAAWOKKDJ-DZGCQCFKSA-N 1 3 244.382 2.387 20 0 BEADHO NC[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000662246135 409541870 /nfs/dbraw/zinc/54/18/70/409541870.db2.gz PUWOFEAAWOKKDJ-DZGCQCFKSA-N 1 3 244.382 2.387 20 0 BEADHO CC[C@H]1CN(CCC=C(C)C)CC[C@H]1[NH3+] ZINC000662269676 409572277 /nfs/dbraw/zinc/57/22/77/409572277.db2.gz CVFFTEVARRAWNN-QWHCGFSZSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@H]1C[N@H+](CCC=C(C)C)CC[C@H]1N ZINC000662269676 409572280 /nfs/dbraw/zinc/57/22/80/409572280.db2.gz CVFFTEVARRAWNN-QWHCGFSZSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@H]1C[N@@H+](CCC=C(C)C)CC[C@H]1N ZINC000662269676 409572282 /nfs/dbraw/zinc/57/22/82/409572282.db2.gz CVFFTEVARRAWNN-QWHCGFSZSA-N 1 3 210.365 2.402 20 0 BEADHO CO[C@H](CN[C@@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277283 409589896 /nfs/dbraw/zinc/58/98/96/409589896.db2.gz PEJVNZFPMCMMCW-OLZOCXBDSA-N 1 3 242.407 2.155 20 0 BEADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277866 409594065 /nfs/dbraw/zinc/59/40/65/409594065.db2.gz SIYZZLOOXXMYCZ-WCVJEAGWSA-N 1 3 248.414 2.498 20 0 BEADHO CO[C@H](CN1CC[C@@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000662284273 409615140 /nfs/dbraw/zinc/61/51/40/409615140.db2.gz MJIRHMJSRGEEBY-IACUBPJLSA-N 1 3 240.391 2.003 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000259119718 409733389 /nfs/dbraw/zinc/73/33/89/409733389.db2.gz TVLDIYPECVUTCX-CABCVRRESA-N 1 3 232.371 2.315 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@H]([C@H](C)N)C1)C(C)(C)C ZINC000308778195 409904698 /nfs/dbraw/zinc/90/46/98/409904698.db2.gz BITYDJCGAZNBRK-SDDRHHMPSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@H]([C@H](C)N)C1)C(C)(C)C ZINC000308778195 409904706 /nfs/dbraw/zinc/90/47/06/409904706.db2.gz BITYDJCGAZNBRK-SDDRHHMPSA-N 1 3 212.381 2.338 20 0 BEADHO CC1(C[NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663343769 410150512 /nfs/dbraw/zinc/15/05/12/410150512.db2.gz FAUITJXSTHSYOQ-AWEZNQCLSA-N 1 3 236.403 2.498 20 0 BEADHO Cc1cccc(CNCC[C@@H]([NH3+])C(C)C)c1 ZINC000663498506 410276373 /nfs/dbraw/zinc/27/63/73/410276373.db2.gz OCINLIHUKVGFSQ-CQSZACIVSA-N 1 3 220.360 2.458 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCC3)CCN1 ZINC000650703499 410332339 /nfs/dbraw/zinc/33/23/39/410332339.db2.gz CEIRMDPHZPCIQL-DOMZBBRYSA-N 1 3 244.382 2.405 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000650703637 410332366 /nfs/dbraw/zinc/33/23/66/410332366.db2.gz JXHAAOGVLLDZPG-MNOVXSKESA-N 1 3 218.344 2.001 20 0 BEADHO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703572 410332874 /nfs/dbraw/zinc/33/28/74/410332874.db2.gz GZISLAZXORKLSZ-LRDDRELGSA-N 1 3 244.382 2.405 20 0 BEADHO C[NH2+]C[C@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650702788 410333248 /nfs/dbraw/zinc/33/32/48/410333248.db2.gz VAYHJRDYOSELLZ-CYBMUJFWSA-N 1 3 244.382 2.217 20 0 BEADHO Cc1ccccc1C1(NCCC[NH3+])CCC1 ZINC000650704058 410336092 /nfs/dbraw/zinc/33/60/92/410336092.db2.gz FBOWILLPASOVCT-UHFFFAOYSA-N 1 3 218.344 2.313 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703186 410336433 /nfs/dbraw/zinc/33/64/33/410336433.db2.gz ORTMJTLUAYOFAR-QWHCGFSZSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703186 410336438 /nfs/dbraw/zinc/33/64/38/410336438.db2.gz ORTMJTLUAYOFAR-QWHCGFSZSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc2c1CCC2 ZINC000650703186 410336444 /nfs/dbraw/zinc/33/64/44/410336444.db2.gz ORTMJTLUAYOFAR-QWHCGFSZSA-N 1 3 244.382 2.344 20 0 BEADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000650741959 410374582 /nfs/dbraw/zinc/37/45/82/410374582.db2.gz OOWQYITZTFDBKW-IRCOFANPSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc2c1CCC2 ZINC000653280256 410634355 /nfs/dbraw/zinc/63/43/55/410634355.db2.gz JFYJTMZPIDYIJT-IUODEOHRSA-N 1 3 244.382 2.487 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc2c1CCC2 ZINC000653280257 410634537 /nfs/dbraw/zinc/63/45/37/410634537.db2.gz JFYJTMZPIDYIJT-SWLSCSKDSA-N 1 3 244.382 2.487 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266715 410739000 /nfs/dbraw/zinc/73/90/00/410739000.db2.gz IDRLSBGNIMXKOW-UTUOFQBUSA-N 1 3 246.345 2.400 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC000665266704 410739442 /nfs/dbraw/zinc/73/94/42/410739442.db2.gz HYZIAWDGAPAJDF-CHWSQXEVSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266714 410740032 /nfs/dbraw/zinc/74/00/32/410740032.db2.gz IDRLSBGNIMXKOW-IJLUTSLNSA-N 1 3 246.345 2.400 20 0 BEADHO CC(C)C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000052380103 167003782 /nfs/dbraw/zinc/00/37/82/167003782.db2.gz JSSLNGAUHRZVNL-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000037997564 167006714 /nfs/dbraw/zinc/00/67/14/167006714.db2.gz HOFOWIJJLBUOSF-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077833 167382098 /nfs/dbraw/zinc/38/20/98/167382098.db2.gz LXJWVAASEMDHFG-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)CN(C)CCC[NH2+]CC1(C)CC1 ZINC000651865678 411147718 /nfs/dbraw/zinc/14/77/18/411147718.db2.gz DEJZUPRHBDQGLU-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)C[N@H+](C)CCCNCC1(C)CC1 ZINC000651865678 411147719 /nfs/dbraw/zinc/14/77/19/411147719.db2.gz DEJZUPRHBDQGLU-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)C[N@@H+](C)CCCNCC1(C)CC1 ZINC000651865678 411147720 /nfs/dbraw/zinc/14/77/20/411147720.db2.gz DEJZUPRHBDQGLU-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CSC[C@H]1C ZINC000651865229 411148114 /nfs/dbraw/zinc/14/81/14/411148114.db2.gz RDKCXAAOHKVTSR-CHWSQXEVSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CSC[C@H]1C ZINC000651865229 411148115 /nfs/dbraw/zinc/14/81/15/411148115.db2.gz RDKCXAAOHKVTSR-CHWSQXEVSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000651865229 411148116 /nfs/dbraw/zinc/14/81/16/411148116.db2.gz RDKCXAAOHKVTSR-CHWSQXEVSA-N 1 3 244.448 2.305 20 0 BEADHO CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000656193080 411198519 /nfs/dbraw/zinc/19/85/19/411198519.db2.gz MBIBRLDNEOWSQN-STQMWFEESA-N 1 3 242.407 2.035 20 0 BEADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000656193079 411198603 /nfs/dbraw/zinc/19/86/03/411198603.db2.gz MBIBRLDNEOWSQN-QWHCGFSZSA-N 1 3 242.407 2.035 20 0 BEADHO COC[C@H](CC(C)(C)C)NC[C@H]([NH3+])CC(C)C ZINC000656193904 411199217 /nfs/dbraw/zinc/19/92/17/411199217.db2.gz XQGRBDAGEUXLOL-OLZOCXBDSA-N 1 3 244.423 2.401 20 0 BEADHO Cc1cnc(CCN[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000656200337 411204914 /nfs/dbraw/zinc/20/49/14/411204914.db2.gz LWEFXWQHSMUTQS-KGLIPLIRSA-N 1 3 247.386 2.100 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCOC1CCCC1 ZINC000422827472 411232681 /nfs/dbraw/zinc/23/26/81/411232681.db2.gz MZNRJNUXAGGTCV-NWDGAFQWSA-N 1 3 228.380 2.051 20 0 BEADHO COCC[C@H](C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423173431 411236812 /nfs/dbraw/zinc/23/68/12/411236812.db2.gz YOQBHOOUKRDEHW-NILFDRSVSA-N 1 3 248.370 2.393 20 0 BEADHO CC1(C)[C@H](NCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423193550 411238012 /nfs/dbraw/zinc/23/80/12/411238012.db2.gz WXJYNSOKTURFCQ-CHWSQXEVSA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H]1CCC[C@@H](N(C)C[C@@H]2CC[NH2+]C2)C1 ZINC000051889673 411285232 /nfs/dbraw/zinc/28/52/32/411285232.db2.gz XABDLEAURPRWHR-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311054583 411309552 /nfs/dbraw/zinc/30/95/52/411309552.db2.gz XVRULQZTEPBFFP-SNPRPXQTSA-N 1 3 245.370 2.203 20 0 BEADHO C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000311054583 411309557 /nfs/dbraw/zinc/30/95/57/411309557.db2.gz XVRULQZTEPBFFP-SNPRPXQTSA-N 1 3 245.370 2.203 20 0 BEADHO C[C@H](c1ccncc1)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000311054583 411309563 /nfs/dbraw/zinc/30/95/63/411309563.db2.gz XVRULQZTEPBFFP-SNPRPXQTSA-N 1 3 245.370 2.203 20 0 BEADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000300359374 168046764 /nfs/dbraw/zinc/04/67/64/168046764.db2.gz OVMULWGSSVCFKN-RYUDHWBXSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300359374 168046766 /nfs/dbraw/zinc/04/67/66/168046766.db2.gz OVMULWGSSVCFKN-RYUDHWBXSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000300359374 168046768 /nfs/dbraw/zinc/04/67/68/168046768.db2.gz OVMULWGSSVCFKN-RYUDHWBXSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccn1 ZINC000656783934 411361605 /nfs/dbraw/zinc/36/16/05/411361605.db2.gz WKESVJQBYCYQET-UPJWGTAASA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccccn1 ZINC000656783934 411361607 /nfs/dbraw/zinc/36/16/07/411361607.db2.gz WKESVJQBYCYQET-UPJWGTAASA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccn1 ZINC000656783931 411361739 /nfs/dbraw/zinc/36/17/39/411361739.db2.gz WKESVJQBYCYQET-FRRDWIJNSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccccn1 ZINC000656783931 411361741 /nfs/dbraw/zinc/36/17/41/411361741.db2.gz WKESVJQBYCYQET-FRRDWIJNSA-N 1 3 233.359 2.045 20 0 BEADHO Cc1ccc(C[NH2+]CC2(N)CCCC2)cc1 ZINC000656788412 411367369 /nfs/dbraw/zinc/36/73/69/411367369.db2.gz OCNNYKDVUQTZLV-UHFFFAOYSA-N 1 3 218.344 2.356 20 0 BEADHO CO[C@@]1(C)C[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658332537 411341307 /nfs/dbraw/zinc/34/13/07/411341307.db2.gz RTFOBNKYMJRUFX-OCCSQVGLSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH2+]CC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000063158782 411344302 /nfs/dbraw/zinc/34/43/02/411344302.db2.gz UXGRLFWVVCFHTB-LBPRGKRZSA-N 1 3 233.359 2.074 20 0 BEADHO Cc1cc(NCCN2CC=C(C)CC2)cc[nH+]1 ZINC000302390465 168111521 /nfs/dbraw/zinc/11/15/21/168111521.db2.gz FRPZWTZOLYEKRS-UHFFFAOYSA-N 1 3 231.343 2.454 20 0 BEADHO CC1=CC[C@@H]([NH2+]CC2=CCN(C)CC2)CC1 ZINC000285274567 168118152 /nfs/dbraw/zinc/11/81/52/168118152.db2.gz QZKKOIMNEFLQOR-CQSZACIVSA-N 1 3 220.360 2.337 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCC(C)CC1 ZINC000228067515 168154420 /nfs/dbraw/zinc/15/44/20/168154420.db2.gz UGWOEEBBRLWTCZ-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCC(C)CC1 ZINC000228067515 168154421 /nfs/dbraw/zinc/15/44/21/168154421.db2.gz UGWOEEBBRLWTCZ-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(N(C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889636 168160153 /nfs/dbraw/zinc/16/01/53/168160153.db2.gz GQENONUDWHNNHU-OTTFEQOBSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404324972 411390513 /nfs/dbraw/zinc/39/05/13/411390513.db2.gz UFVNWHBLXICAMD-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404324972 411390517 /nfs/dbraw/zinc/39/05/17/411390517.db2.gz UFVNWHBLXICAMD-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000125648590 411391490 /nfs/dbraw/zinc/39/14/90/411391490.db2.gz ZXVQXNMVPPPDDT-LLVKDONJSA-N 1 3 218.344 2.220 20 0 BEADHO Cc1ccncc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404410479 411395568 /nfs/dbraw/zinc/39/55/68/411395568.db2.gz CESGPANJFKOMOZ-UKRRQHHQSA-N 1 3 247.386 2.339 20 0 BEADHO CN(C)c1cccc([C@@H]2CCCN2CCC[NH3+])c1 ZINC000414705057 411440807 /nfs/dbraw/zinc/44/08/07/411440807.db2.gz NGIIABVTPOTMQP-HNNXBMFYSA-N 1 3 247.386 2.238 20 0 BEADHO CC[C@H]1C[C@H](NCCC[NH+]2CCCCC2)CO1 ZINC000657296464 411454038 /nfs/dbraw/zinc/45/40/38/411454038.db2.gz VCQAYWBDWOLURM-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)CO1 ZINC000657296468 411454384 /nfs/dbraw/zinc/45/43/84/411454384.db2.gz VCQAYWBDWOLURM-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC[N@@H+]1CC[C@@H](CNCc2ccccc2C)C1 ZINC000037643770 170008006 /nfs/dbraw/zinc/00/80/06/170008006.db2.gz LLTJYSAZRBTBAZ-AWEZNQCLSA-N 1 3 232.371 2.426 20 0 BEADHO CC[N@H+]1CC[C@@H](CNCc2ccccc2C)C1 ZINC000037643770 170008007 /nfs/dbraw/zinc/00/80/07/170008007.db2.gz LLTJYSAZRBTBAZ-AWEZNQCLSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000037643770 170008008 /nfs/dbraw/zinc/00/80/08/170008008.db2.gz LLTJYSAZRBTBAZ-AWEZNQCLSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037643739 170015161 /nfs/dbraw/zinc/01/51/61/170015161.db2.gz UTQAFDPODBZMTB-CYBMUJFWSA-N 1 3 236.334 2.257 20 0 BEADHO CC[N@@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@H](C)C1 ZINC000336779648 170022883 /nfs/dbraw/zinc/02/28/83/170022883.db2.gz PABRWJZNXNEKRN-WOPDTQHZSA-N 1 3 242.432 2.200 20 0 BEADHO CC[N@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@H](C)C1 ZINC000336779648 170022885 /nfs/dbraw/zinc/02/28/85/170022885.db2.gz PABRWJZNXNEKRN-WOPDTQHZSA-N 1 3 242.432 2.200 20 0 BEADHO CC[NH2+]CC1CCN(Cc2cnccc2C)CC1 ZINC000135502151 170111648 /nfs/dbraw/zinc/11/16/48/170111648.db2.gz WJAYKVWPMRIITI-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO CC[NH2+]CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000131463166 170111818 /nfs/dbraw/zinc/11/18/18/170111818.db2.gz YGRYQHBTCVSWJR-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000034819469 170141822 /nfs/dbraw/zinc/14/18/22/170141822.db2.gz WMOUEPBSGXJGNB-LBPRGKRZSA-N 1 3 236.359 2.298 20 0 BEADHO c1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)co1 ZINC000657653330 411570336 /nfs/dbraw/zinc/57/03/36/411570336.db2.gz JJZJZAPHNIFSGK-KGLIPLIRSA-N 1 3 234.343 2.039 20 0 BEADHO c1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)co1 ZINC000657653330 411570338 /nfs/dbraw/zinc/57/03/38/411570338.db2.gz JJZJZAPHNIFSGK-KGLIPLIRSA-N 1 3 234.343 2.039 20 0 BEADHO c1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)co1 ZINC000657653334 411570352 /nfs/dbraw/zinc/57/03/52/411570352.db2.gz JJZJZAPHNIFSGK-ZIAGYGMSSA-N 1 3 234.343 2.039 20 0 BEADHO c1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)co1 ZINC000657653334 411570354 /nfs/dbraw/zinc/57/03/54/411570354.db2.gz JJZJZAPHNIFSGK-ZIAGYGMSSA-N 1 3 234.343 2.039 20 0 BEADHO CCCN1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663321941 411623965 /nfs/dbraw/zinc/62/39/65/411623965.db2.gz OMCLLFQBFMJAHG-UHFFFAOYSA-N 1 3 244.342 2.095 20 0 BEADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657663457 411576691 /nfs/dbraw/zinc/57/66/91/411576691.db2.gz BOOHCBWMERGZBC-QJPTWQEYSA-N 1 3 244.329 2.248 20 0 BEADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657663457 411576693 /nfs/dbraw/zinc/57/66/93/411576693.db2.gz BOOHCBWMERGZBC-QJPTWQEYSA-N 1 3 244.329 2.248 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660415638 411581933 /nfs/dbraw/zinc/58/19/33/411581933.db2.gz GTZHHYLCXBLCCI-LXTVHRRPSA-N 1 3 236.403 2.449 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660415638 411581934 /nfs/dbraw/zinc/58/19/34/411581934.db2.gz GTZHHYLCXBLCCI-LXTVHRRPSA-N 1 3 236.403 2.449 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657734111 411587658 /nfs/dbraw/zinc/58/76/58/411587658.db2.gz FNPDESKYLFJAOM-XHJNMGKDSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657734111 411587659 /nfs/dbraw/zinc/58/76/59/411587659.db2.gz FNPDESKYLFJAOM-XHJNMGKDSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000657734111 411587660 /nfs/dbraw/zinc/58/76/60/411587660.db2.gz FNPDESKYLFJAOM-XHJNMGKDSA-N 1 3 220.360 2.001 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657818674 411605769 /nfs/dbraw/zinc/60/57/69/411605769.db2.gz WSVJIVGSAPVBBB-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCF)C2 ZINC000660665140 411615466 /nfs/dbraw/zinc/61/54/66/411615466.db2.gz URKDKPSJZRPULA-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCF)C2 ZINC000660665140 411615468 /nfs/dbraw/zinc/61/54/68/411615468.db2.gz URKDKPSJZRPULA-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO C[N@H+](CCNc1nccc2[nH]ccc21)C1CC1 ZINC000663424236 411655044 /nfs/dbraw/zinc/65/50/44/411655044.db2.gz LIVGRAFCZWYUOA-UHFFFAOYSA-N 1 3 230.315 2.069 20 0 BEADHO C[N@@H+](CCNc1nccc2[nH]ccc21)C1CC1 ZINC000663424236 411655050 /nfs/dbraw/zinc/65/50/50/411655050.db2.gz LIVGRAFCZWYUOA-UHFFFAOYSA-N 1 3 230.315 2.069 20 0 BEADHO CC[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663470554 411668543 /nfs/dbraw/zinc/66/85/43/411668543.db2.gz VBRVOMHKTWJRJU-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663497555 411679404 /nfs/dbraw/zinc/67/94/04/411679404.db2.gz BYJBMFOKEBLTFI-CQSZACIVSA-N 1 3 220.360 2.458 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+]CC12CC(C1)CN2 ZINC000663497299 411679744 /nfs/dbraw/zinc/67/97/44/411679744.db2.gz CXLOKPZNAFEBQP-LMWSTFAQSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC[C@@H](CC)[NH2+]CC12CC(C1)CN2 ZINC000663498552 411681535 /nfs/dbraw/zinc/68/15/35/411681535.db2.gz PWFCBOQEWWUUDB-OTTFEQOBSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@@H](CC)NCC12CC(C1)C[NH2+]2 ZINC000663498552 411681538 /nfs/dbraw/zinc/68/15/38/411681538.db2.gz PWFCBOQEWWUUDB-OTTFEQOBSA-N 1 3 210.365 2.297 20 0 BEADHO COc1cccc(CNCC[C@@H]([NH3+])C(C)C)c1 ZINC000663499322 411682826 /nfs/dbraw/zinc/68/28/26/411682826.db2.gz YBGNEUQJCAGHNX-CQSZACIVSA-N 1 3 236.359 2.158 20 0 BEADHO C[NH2+]C[C@H](C)NC[C@H]1CCCC(C)(C)C1 ZINC000663508781 411689398 /nfs/dbraw/zinc/68/93/98/411689398.db2.gz DKTRKYZICCPUJJ-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CCC(CC)(CC)CN[C@H](C)C[NH2+]C ZINC000663510757 411691692 /nfs/dbraw/zinc/69/16/92/411691692.db2.gz SLBBSNIEKZBVDX-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCCC(F)(F)F ZINC000663514156 411694760 /nfs/dbraw/zinc/69/47/60/411694760.db2.gz NQQGLUZISGARKQ-DTWKUNHWSA-N 1 3 226.286 2.305 20 0 BEADHO CCN1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1C ZINC000663743534 411736509 /nfs/dbraw/zinc/73/65/09/411736509.db2.gz BVHGHDBJOSZZDY-NSHDSACASA-N 1 3 244.342 2.093 20 0 BEADHO C(CN1CC[C@H]2C[C@H]2C1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972374 411929238 /nfs/dbraw/zinc/92/92/38/411929238.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 1 3 234.387 2.060 20 0 BEADHO C(CN1CC[C@H]2C[C@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972374 411929241 /nfs/dbraw/zinc/92/92/41/411929241.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 1 3 234.387 2.060 20 0 BEADHO C(CN1CC[C@@H]2C[C@@H]2C1)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972374 411929247 /nfs/dbraw/zinc/92/92/47/411929247.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 1 3 234.387 2.060 20 0 BEADHO C(CN1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972374 411929252 /nfs/dbraw/zinc/92/92/52/411929252.db2.gz PVDFFOAKOJUVTO-NMWPEEMBSA-N 1 3 234.387 2.060 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCCC2CCC2)C1 ZINC000662244145 412039748 /nfs/dbraw/zinc/03/97/48/412039748.db2.gz DHIFCVGZEZZVHG-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CC=CC2)[C@@H]1CCN ZINC000662285852 412077230 /nfs/dbraw/zinc/07/72/30/412077230.db2.gz NSCGGZTULOXDKW-TZMCWYRMSA-N 1 3 222.376 2.402 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CC=CC2)[C@@H]1CCN ZINC000662285852 412077235 /nfs/dbraw/zinc/07/72/35/412077235.db2.gz NSCGGZTULOXDKW-TZMCWYRMSA-N 1 3 222.376 2.402 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281969 412072005 /nfs/dbraw/zinc/07/20/05/412072005.db2.gz AHOSPJDAPAEIIT-DYEKYZERSA-N 1 3 222.376 2.258 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281969 412072009 /nfs/dbraw/zinc/07/20/09/412072009.db2.gz AHOSPJDAPAEIIT-DYEKYZERSA-N 1 3 222.376 2.258 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281967 412072150 /nfs/dbraw/zinc/07/21/50/412072150.db2.gz AHOSPJDAPAEIIT-BZPMIXESSA-N 1 3 222.376 2.258 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281967 412072152 /nfs/dbraw/zinc/07/21/52/412072152.db2.gz AHOSPJDAPAEIIT-BZPMIXESSA-N 1 3 222.376 2.258 20 0 BEADHO CC[C@@H](CC(F)F)CN(C)CCC[NH2+]C ZINC000662282452 412072596 /nfs/dbraw/zinc/07/25/96/412072596.db2.gz VHVQEGGIQIAKLC-JTQLQIEISA-N 1 3 222.323 2.209 20 0 BEADHO CC[C@@H](CC(F)F)C[N@H+](C)CCCNC ZINC000662282452 412072600 /nfs/dbraw/zinc/07/26/00/412072600.db2.gz VHVQEGGIQIAKLC-JTQLQIEISA-N 1 3 222.323 2.209 20 0 BEADHO CC[C@@H](CC(F)F)C[N@@H+](C)CCCNC ZINC000662282452 412072602 /nfs/dbraw/zinc/07/26/02/412072602.db2.gz VHVQEGGIQIAKLC-JTQLQIEISA-N 1 3 222.323 2.209 20 0 BEADHO CCN(Cc1ccc(C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000662304068 412089713 /nfs/dbraw/zinc/08/97/13/412089713.db2.gz FAPGJGHAOHAYOF-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO CC[C@H](C)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319147 412099153 /nfs/dbraw/zinc/09/91/53/412099153.db2.gz FMIAHFDZJBGLFE-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO NCCC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000662319954 412100399 /nfs/dbraw/zinc/10/03/99/412100399.db2.gz RFLPLXHPWOOUDO-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662319954 412100404 /nfs/dbraw/zinc/10/04/04/412100404.db2.gz RFLPLXHPWOOUDO-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@H](COCC1CC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665236513 412175800 /nfs/dbraw/zinc/17/58/00/412175800.db2.gz OIVGIZYCBDEIEF-MGPQQGTHSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H](C)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000665238192 412178867 /nfs/dbraw/zinc/17/88/67/412178867.db2.gz SVKKCHKVNNVKOY-AVGNSLFASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccncc1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000665239754 412181216 /nfs/dbraw/zinc/18/12/16/412181216.db2.gz YNVZVJKNOIVKDU-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccncc1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000665239753 412181311 /nfs/dbraw/zinc/18/13/11/412181311.db2.gz YNVZVJKNOIVKDU-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO [NH3+]C1(CN[C@@H]2CCC23CCC3)CCCC1 ZINC000665246367 412190569 /nfs/dbraw/zinc/19/05/69/412190569.db2.gz CTYDJGMRQWYLTL-LLVKDONJSA-N 1 3 208.349 2.180 20 0 BEADHO CC(C)(F)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000665261680 412204040 /nfs/dbraw/zinc/20/40/40/412204040.db2.gz JJTQZOQETHYUIR-GHMZBOCLSA-N 1 3 216.344 2.232 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261538 412204873 /nfs/dbraw/zinc/20/48/73/412204873.db2.gz FNNYICOOCBCHCO-MNOVXSKESA-N 1 3 216.344 2.102 20 0 BEADHO c1ccc([C@H]2CC[C@H]2[NH2+]C2CCNCC2)cc1 ZINC000665273828 412215374 /nfs/dbraw/zinc/21/53/74/412215374.db2.gz DYNZBXGDVPGNEJ-HUUCEWRRSA-N 1 3 230.355 2.274 20 0 BEADHO c1ccc([C@H]2CC[C@H]2NC2CC[NH2+]CC2)cc1 ZINC000665273828 412215377 /nfs/dbraw/zinc/21/53/77/412215377.db2.gz DYNZBXGDVPGNEJ-HUUCEWRRSA-N 1 3 230.355 2.274 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263140 412205925 /nfs/dbraw/zinc/20/59/25/412205925.db2.gz GRTOIHAKMMHOSB-WJTVCTBASA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)O1 ZINC000665265182 412208372 /nfs/dbraw/zinc/20/83/72/412208372.db2.gz RMCLGTNGSZFTPN-XJFOESAGSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)O1 ZINC000665265180 412209380 /nfs/dbraw/zinc/20/93/80/412209380.db2.gz RMCLGTNGSZFTPN-RQJABVFESA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccccn1 ZINC000665232384 412170478 /nfs/dbraw/zinc/17/04/78/412170478.db2.gz MBXAMWFBBYHHHM-NFAWXSAZSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1noc2ccccc12 ZINC000665231879 412170706 /nfs/dbraw/zinc/17/07/06/412170706.db2.gz ABCAZDPKJYFCDC-GHMZBOCLSA-N 1 3 247.342 2.086 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665231879 412170710 /nfs/dbraw/zinc/17/07/10/412170710.db2.gz ABCAZDPKJYFCDC-GHMZBOCLSA-N 1 3 247.342 2.086 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1=CCCC1 ZINC000665274165 412217245 /nfs/dbraw/zinc/21/72/45/412217245.db2.gz LHHOXQVAEMYHHW-CHWSQXEVSA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCC1=CCCC1 ZINC000665274165 412217248 /nfs/dbraw/zinc/21/72/48/412217248.db2.gz LHHOXQVAEMYHHW-CHWSQXEVSA-N 1 3 208.349 2.204 20 0 BEADHO FC(F)C1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000665279725 412222774 /nfs/dbraw/zinc/22/27/74/412222774.db2.gz KLXAVSNKWVSHNK-UHFFFAOYSA-N 1 3 244.329 2.152 20 0 BEADHO FC(F)C1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000665279725 412222776 /nfs/dbraw/zinc/22/27/76/412222776.db2.gz KLXAVSNKWVSHNK-UHFFFAOYSA-N 1 3 244.329 2.152 20 0 BEADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279708 412223184 /nfs/dbraw/zinc/22/31/84/412223184.db2.gz KHYUVWHGHPJYED-ATWGWHJKSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CC(C)(C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279708 412223187 /nfs/dbraw/zinc/22/31/87/412223187.db2.gz KHYUVWHGHPJYED-ATWGWHJKSA-N 1 3 222.376 2.153 20 0 BEADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282233 412228088 /nfs/dbraw/zinc/22/80/88/412228088.db2.gz UCBTYBHGPSTFQW-BFHYXJOUSA-N 1 3 242.407 2.155 20 0 BEADHO COc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000665294075 412238741 /nfs/dbraw/zinc/23/87/41/412238741.db2.gz HNEMULQUUMDAGG-UONOGXRCSA-N 1 3 248.370 2.363 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H](CCC(C)C)C1CC1 ZINC000665297343 412244713 /nfs/dbraw/zinc/24/47/13/412244713.db2.gz DMBYZDSWPYMBGI-AAEUAGOBSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000230402543 487625728 /nfs/dbraw/zinc/62/57/28/487625728.db2.gz NWRYZZCICDSAIN-YVECIDJPSA-N 1 3 210.365 2.282 20 0 BEADHO C[N@@H+]1CCC[C@@H]2CN(CCC3CC3)CC[C@H]21 ZINC000335904939 173036383 /nfs/dbraw/zinc/03/63/83/173036383.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CCC[C@@H]2CN(CCC3CC3)CC[C@H]21 ZINC000335904939 173036384 /nfs/dbraw/zinc/03/63/84/173036384.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000335904939 173036386 /nfs/dbraw/zinc/03/63/86/173036386.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000335904939 173036388 /nfs/dbraw/zinc/03/63/88/173036388.db2.gz NYEYWFWAYBDVLA-ZIAGYGMSSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CC[C@H]([NH2+]Cc2cccnc2)[C@H]2CCC[C@H]21 ZINC000367620691 173152764 /nfs/dbraw/zinc/15/27/64/173152764.db2.gz QUGOVTIOUXRJRX-QLFBSQMISA-N 1 3 245.370 2.044 20 0 BEADHO CN1CC[C@H]([NH2+]Cc2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000367620690 173153175 /nfs/dbraw/zinc/15/31/75/173153175.db2.gz QUGOVTIOUXRJRX-KKUMJFAQSA-N 1 3 245.370 2.044 20 0 BEADHO C[NH2+]C1CCN(C[C@@H](C)CC(C)C)CC1 ZINC000300885462 173323064 /nfs/dbraw/zinc/32/30/64/173323064.db2.gz JISAGAPJBAVDGJ-LBPRGKRZSA-N 1 3 212.381 2.352 20 0 BEADHO CNC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000300885462 173323066 /nfs/dbraw/zinc/32/30/66/173323066.db2.gz JISAGAPJBAVDGJ-LBPRGKRZSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]C1CCN(C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000234346216 173323221 /nfs/dbraw/zinc/32/32/21/173323221.db2.gz PNKGTKHDIOWYRG-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000234346216 173323223 /nfs/dbraw/zinc/32/32/23/173323223.db2.gz PNKGTKHDIOWYRG-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000042864248 173323386 /nfs/dbraw/zinc/32/33/86/173323386.db2.gz SGTDZEQRHDGHTK-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@@H]2CCCC[C@H]2C)CC1 ZINC000042864248 173323387 /nfs/dbraw/zinc/32/33/87/173323387.db2.gz SGTDZEQRHDGHTK-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCCN(C)[C@H]1CCc2ccccc2C1 ZINC000124798858 173346759 /nfs/dbraw/zinc/34/67/59/173346759.db2.gz MCSHONRMXBZQES-HNNXBMFYSA-N 1 3 232.371 2.085 20 0 BEADHO CNCCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000124798858 173346760 /nfs/dbraw/zinc/34/67/60/173346760.db2.gz MCSHONRMXBZQES-HNNXBMFYSA-N 1 3 232.371 2.085 20 0 BEADHO CNCCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000124798858 173346761 /nfs/dbraw/zinc/34/67/61/173346761.db2.gz MCSHONRMXBZQES-HNNXBMFYSA-N 1 3 232.371 2.085 20 0 BEADHO CNC[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000063145791 173369909 /nfs/dbraw/zinc/36/99/09/173369909.db2.gz IKBLZEIVXOJSKB-RUXDESIVSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000063145791 173369911 /nfs/dbraw/zinc/36/99/11/173369911.db2.gz IKBLZEIVXOJSKB-RUXDESIVSA-N 1 3 224.392 2.354 20 0 BEADHO C[NH2+]C[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000251526907 173370451 /nfs/dbraw/zinc/37/04/51/173370451.db2.gz LZWHOWKJRAMZKN-OLZOCXBDSA-N 1 3 218.344 2.289 20 0 BEADHO C[NH2+]C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000071147881 173370748 /nfs/dbraw/zinc/37/07/48/173370748.db2.gz PHUNMXKKBGJOCG-LBPRGKRZSA-N 1 3 241.338 2.281 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000300965187 173371002 /nfs/dbraw/zinc/37/10/02/173371002.db2.gz RLIJABTYJGVGLW-STQMWFEESA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000300965187 173371004 /nfs/dbraw/zinc/37/10/04/173371004.db2.gz RLIJABTYJGVGLW-STQMWFEESA-N 1 3 212.381 2.210 20 0 BEADHO C[NH2+]C[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC000071142056 173382184 /nfs/dbraw/zinc/38/21/84/173382184.db2.gz HUAYMWCXJAUOTH-CQSZACIVSA-N 1 3 232.371 2.345 20 0 BEADHO COCCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000234682331 174143901 /nfs/dbraw/zinc/14/39/01/174143901.db2.gz AGCYRJWHSURBTJ-CHWSQXEVSA-N 1 3 242.407 2.156 20 0 BEADHO COCCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179969 174339516 /nfs/dbraw/zinc/33/95/16/174339516.db2.gz ZSZVWMSKYUHTIH-HUUCEWRRSA-N 1 3 248.370 2.058 20 0 BEADHO COCCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179969 174339517 /nfs/dbraw/zinc/33/95/17/174339517.db2.gz ZSZVWMSKYUHTIH-HUUCEWRRSA-N 1 3 248.370 2.058 20 0 BEADHO COc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1F ZINC000310540339 175188023 /nfs/dbraw/zinc/18/80/23/175188023.db2.gz SJWOBOJQRKOYRD-ZJUUUORDSA-N 1 3 240.322 2.080 20 0 BEADHO COc1cccc(CCCNCC2([NH3+])CCC2)c1 ZINC000342097486 175251826 /nfs/dbraw/zinc/25/18/26/175251826.db2.gz HVLCWYRANSLSAZ-UHFFFAOYSA-N 1 3 248.370 2.099 20 0 BEADHO COc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214543 175266616 /nfs/dbraw/zinc/26/66/16/175266616.db2.gz SSJFJUWKCOAKFB-CHWSQXEVSA-N 1 3 234.343 2.055 20 0 BEADHO COc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214544 175267822 /nfs/dbraw/zinc/26/78/22/175267822.db2.gz SSJFJUWKCOAKFB-OLZOCXBDSA-N 1 3 234.343 2.055 20 0 BEADHO CSC1(C[NH2+][C@H]2CCCNCC2)CCC1 ZINC000235117354 175454077 /nfs/dbraw/zinc/45/40/77/175454077.db2.gz DQZWXGIKJLAFHC-NSHDSACASA-N 1 3 228.405 2.004 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000162207192 175811409 /nfs/dbraw/zinc/81/14/09/175811409.db2.gz HHVHTRMAZJWUAE-VXGBXAGGSA-N 1 3 241.338 2.408 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000087287466 487631869 /nfs/dbraw/zinc/63/18/69/487631869.db2.gz DILDPKCBDLHIKE-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(CN)C1 ZINC000238455247 176021672 /nfs/dbraw/zinc/02/16/72/176021672.db2.gz NKAROOLZORJQCJ-JSGCOSHPSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(CN)C1 ZINC000238455247 176021673 /nfs/dbraw/zinc/02/16/73/176021673.db2.gz NKAROOLZORJQCJ-JSGCOSHPSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H](c1ccccc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000238455247 176021674 /nfs/dbraw/zinc/02/16/74/176021674.db2.gz NKAROOLZORJQCJ-JSGCOSHPSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000104137723 176028129 /nfs/dbraw/zinc/02/81/29/176028129.db2.gz ODTFPNSIYJQEDM-NEPJUHHUSA-N 1 3 233.359 2.202 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)[C@@H]1C ZINC000038040603 176122525 /nfs/dbraw/zinc/12/25/25/176122525.db2.gz GLILUBLVMICMFH-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000226869778 176136429 /nfs/dbraw/zinc/13/64/29/176136429.db2.gz BNYFRJVVAAVKJT-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](CN)C2)C1 ZINC000226869778 176136430 /nfs/dbraw/zinc/13/64/30/176136430.db2.gz BNYFRJVVAAVKJT-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccccc1 ZINC000275296918 176269504 /nfs/dbraw/zinc/26/95/04/176269504.db2.gz PMTQEFRTNMTHJU-UKRRQHHQSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccccc1 ZINC000275296918 176269505 /nfs/dbraw/zinc/26/95/05/176269505.db2.gz PMTQEFRTNMTHJU-UKRRQHHQSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1 ZINC000242522352 176270452 /nfs/dbraw/zinc/27/04/52/176270452.db2.gz IOHGIIBXOUYHLW-TZMCWYRMSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1 ZINC000242522352 176270453 /nfs/dbraw/zinc/27/04/53/176270453.db2.gz IOHGIIBXOUYHLW-TZMCWYRMSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC1CC(F)(F)C1 ZINC000336781417 176279123 /nfs/dbraw/zinc/27/91/23/176279123.db2.gz UPZKXKVCIPUXBL-FXPVBKGRSA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC(F)(F)C1 ZINC000336781417 176279124 /nfs/dbraw/zinc/27/91/24/176279124.db2.gz UPZKXKVCIPUXBL-FXPVBKGRSA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416484 176280456 /nfs/dbraw/zinc/28/04/56/176280456.db2.gz KLMNYISMHITNOT-LALPHHSUSA-N 1 3 248.370 2.211 20 0 BEADHO C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@H]1N ZINC000251891950 176288207 /nfs/dbraw/zinc/28/82/07/176288207.db2.gz VQPPCRBHGUAXFG-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1N ZINC000251891950 176288209 /nfs/dbraw/zinc/28/82/09/176288209.db2.gz VQPPCRBHGUAXFG-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CN(CCC2CCCC2)CC[C@H]1[NH3+] ZINC000251891950 176288210 /nfs/dbraw/zinc/28/82/10/176288210.db2.gz VQPPCRBHGUAXFG-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000042864363 176297730 /nfs/dbraw/zinc/29/77/30/176297730.db2.gz FSQXNGIFBWULKA-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000042864363 176297732 /nfs/dbraw/zinc/29/77/32/176297732.db2.gz FSQXNGIFBWULKA-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]1(C)CN ZINC000307406153 176306696 /nfs/dbraw/zinc/30/66/96/176306696.db2.gz DCDLJOKASDKHAU-TZMCWYRMSA-N 1 3 218.344 2.103 20 0 BEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)CN ZINC000307406153 176306697 /nfs/dbraw/zinc/30/66/97/176306697.db2.gz DCDLJOKASDKHAU-TZMCWYRMSA-N 1 3 218.344 2.103 20 0 BEADHO C[C@@H]1CN(Cc2cccs2)C[C@@]1(C)C[NH3+] ZINC000309029198 176307607 /nfs/dbraw/zinc/30/76/07/176307607.db2.gz ADWNLQYKYKYUDQ-ZYHUDNBSSA-N 1 3 224.373 2.165 20 0 BEADHO C[C@@H]1C[N@H+](Cc2cccs2)C[C@@]1(C)CN ZINC000309029198 176307609 /nfs/dbraw/zinc/30/76/09/176307609.db2.gz ADWNLQYKYKYUDQ-ZYHUDNBSSA-N 1 3 224.373 2.165 20 0 BEADHO C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@]1(C)CN ZINC000309029198 176307610 /nfs/dbraw/zinc/30/76/10/176307610.db2.gz ADWNLQYKYKYUDQ-ZYHUDNBSSA-N 1 3 224.373 2.165 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCCC[C@H]1C ZINC000309732274 176395586 /nfs/dbraw/zinc/39/55/86/176395586.db2.gz BLMSQLBBNLNNAT-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000336749555 176395869 /nfs/dbraw/zinc/39/58/69/176395869.db2.gz UDHZSZJALGGDAS-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC1(C)C)CN1CCCC1 ZINC000336648480 176683201 /nfs/dbraw/zinc/68/32/01/176683201.db2.gz GEHLQYZNHRLLBE-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccccn1 ZINC000227495470 176835353 /nfs/dbraw/zinc/83/53/53/176835353.db2.gz AISNCAHDJMUBRA-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](c1ccccc1)N1CCC[C@H](C[NH3+])C1 ZINC000044527646 177038339 /nfs/dbraw/zinc/03/83/39/177038339.db2.gz NVTLGACRAYICGY-CHWSQXEVSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H](c1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000114410051 177039438 /nfs/dbraw/zinc/03/94/38/177039438.db2.gz NVTLGACRAYICGY-OLZOCXBDSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(CN)C1 ZINC000238405695 177040363 /nfs/dbraw/zinc/04/03/63/177040363.db2.gz NKAROOLZORJQCJ-OCCSQVGLSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(CN)C1 ZINC000238405695 177040364 /nfs/dbraw/zinc/04/03/64/177040364.db2.gz NKAROOLZORJQCJ-OCCSQVGLSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@@](C)(C[NH3+])C1 ZINC000238405695 177040366 /nfs/dbraw/zinc/04/03/66/177040366.db2.gz NKAROOLZORJQCJ-OCCSQVGLSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H]1C[C@@H](NCCOc2ccccc2)CC[N@@H+]1C ZINC000129652841 177332620 /nfs/dbraw/zinc/33/26/20/177332620.db2.gz XBJHOCRFFJIVDB-KBPBESRZSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@H]1C[C@@H](NCCOc2ccccc2)CC[N@H+]1C ZINC000129652841 177332622 /nfs/dbraw/zinc/33/26/22/177332622.db2.gz XBJHOCRFFJIVDB-KBPBESRZSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCC(C)(C)C ZINC000300958958 177361693 /nfs/dbraw/zinc/36/16/93/177361693.db2.gz YFAGVUXRAUIKNV-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCC(C)(C)C ZINC000300958958 177361695 /nfs/dbraw/zinc/36/16/95/177361695.db2.gz YFAGVUXRAUIKNV-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CCc1ccccc1 ZINC000049708923 177364601 /nfs/dbraw/zinc/36/46/01/177364601.db2.gz NSBXMYHTQVVHAT-GXTWGEPZSA-N 1 3 218.344 2.041 20 0 BEADHO C[C@H]1C[C@H](N(C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844206 177365444 /nfs/dbraw/zinc/36/54/44/177365444.db2.gz RQCUTYOOVKBWLN-DZGCQCFKSA-N 1 3 247.386 2.039 20 0 BEADHO C[C@H]1C[C@H](N(C)CCc2cccnc2)CC[N@H+]1C ZINC000172844206 177365446 /nfs/dbraw/zinc/36/54/46/177365446.db2.gz RQCUTYOOVKBWLN-DZGCQCFKSA-N 1 3 247.386 2.039 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000087310878 487639530 /nfs/dbraw/zinc/63/95/30/487639530.db2.gz CUYFBTRQWPWLET-QWRGUYRKSA-N 1 3 224.373 2.368 20 0 BEADHO C[C@@H](NC[C@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400678494 224851836 /nfs/dbraw/zinc/85/18/36/224851836.db2.gz WGIWZWNGRBSHMD-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CCCN1 ZINC000400678494 224851840 /nfs/dbraw/zinc/85/18/40/224851840.db2.gz WGIWZWNGRBSHMD-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CCC[NH+]1CCC(N[C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666227572 487648255 /nfs/dbraw/zinc/64/82/55/487648255.db2.gz OOLXVPJXBGIWDE-PWSUYJOCSA-N 1 3 246.345 2.494 20 0 BEADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000494080718 226260527 /nfs/dbraw/zinc/26/05/27/226260527.db2.gz VJLNAFWSTOVKIU-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](N[C@@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000400690085 226349649 /nfs/dbraw/zinc/34/96/49/226349649.db2.gz YVEBUJKQOROWDE-FDZXDKCCSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1CCCN1 ZINC000400690085 226349650 /nfs/dbraw/zinc/34/96/50/226349650.db2.gz YVEBUJKQOROWDE-FDZXDKCCSA-N 1 3 222.376 2.295 20 0 BEADHO CC1(C)CCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000232771655 487652616 /nfs/dbraw/zinc/65/26/16/487652616.db2.gz IIVRMYGTVLTNKV-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000309120137 229361664 /nfs/dbraw/zinc/36/16/64/229361664.db2.gz SVHSMZDENDYQCY-WOPDTQHZSA-N 1 3 206.333 2.381 20 0 BEADHO CCN1CC[C@H]([NH2+]C/C=C/Cl)[C@H](C)C1 ZINC000898431937 584135438 /nfs/dbraw/zinc/13/54/38/584135438.db2.gz DHNLCGQRQTUBLP-MRUFAENASA-N 1 3 216.756 2.059 20 0 BEADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1ccsc1 ZINC000084384769 487706085 /nfs/dbraw/zinc/70/60/85/487706085.db2.gz MFVNTZRXJHHGFK-NSHDSACASA-N 1 3 224.373 2.180 20 0 BEADHO CC[C@@H]1C[C@@H]([NH2+]CCCN(C)C(C)C)CCO1 ZINC000226340005 487714690 /nfs/dbraw/zinc/71/46/90/487714690.db2.gz JIAGANJGGRZTTH-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250607516 487735449 /nfs/dbraw/zinc/73/54/49/487735449.db2.gz XHWZSUKNMZALAZ-CHWSQXEVSA-N 1 3 210.365 2.106 20 0 BEADHO c1cc2cnccc2c(C[NH2+]C2CCNCC2)c1 ZINC000206917217 487760152 /nfs/dbraw/zinc/76/01/52/487760152.db2.gz WPUNPXWNBMMABC-UHFFFAOYSA-N 1 3 241.338 2.076 20 0 BEADHO CCCC(CCC)NC[C@]1(COC)CCC[NH2+]1 ZINC000414949505 487773731 /nfs/dbraw/zinc/77/37/31/487773731.db2.gz ZTHIWJSNGOHJKI-AWEZNQCLSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C2CC2)CCN1 ZINC000414951286 487773760 /nfs/dbraw/zinc/77/37/60/487773760.db2.gz PNLIRSVKZXACNB-FMKGYKFTSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C2CC2)CCN1 ZINC000414951289 487773644 /nfs/dbraw/zinc/77/36/44/487773644.db2.gz PNLIRSVKZXACNB-ZRJCITRHSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](c1ccccc1)N(C)C[C@H]1CC[NH2+]C1 ZINC000251593337 487774491 /nfs/dbraw/zinc/77/44/91/487774491.db2.gz YAQVUKXLGVEJBT-OLZOCXBDSA-N 1 3 218.344 2.289 20 0 BEADHO CCC[C@@H](C)CN1CCC([NH+](C)C)CC1 ZINC000775654263 585682573 /nfs/dbraw/zinc/68/25/73/585682573.db2.gz WBYAPDNBBVQDNP-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000227349366 487810372 /nfs/dbraw/zinc/81/03/72/487810372.db2.gz CUYFBTRQWPWLET-MNOVXSKESA-N 1 3 224.373 2.368 20 0 BEADHO COc1cccc([C@H]2C[C@H](C)CN2CCC[NH3+])c1 ZINC000414740206 487820351 /nfs/dbraw/zinc/82/03/51/487820351.db2.gz KTPNDLRVHIOJJB-SWLSCSKDSA-N 1 3 248.370 2.427 20 0 BEADHO Cc1cccc([C@@H]2CCN(CCC[NH3+])C2)c1 ZINC000414739952 487820418 /nfs/dbraw/zinc/82/04/18/487820418.db2.gz CMRQNHSLHMBRKK-CQSZACIVSA-N 1 3 218.344 2.133 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NCCc1cccs1 ZINC000842475217 588029175 /nfs/dbraw/zinc/02/91/75/588029175.db2.gz LLCQFSAQUSZBSB-NSHDSACASA-N 1 3 226.389 2.254 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252866668 487836915 /nfs/dbraw/zinc/83/69/15/487836915.db2.gz QMCRWCQNUWMDCQ-UNQGMJICSA-N 1 3 245.370 2.202 20 0 BEADHO C[C@@H](CC1CCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000666770897 487855240 /nfs/dbraw/zinc/85/52/40/487855240.db2.gz YZCHYGLAATZPPK-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CN(C)C[C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000666693931 487861606 /nfs/dbraw/zinc/86/16/06/487861606.db2.gz JIUVLWMVVJYQBQ-UONOGXRCSA-N 1 3 247.386 2.210 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H]2CCCNCC2)cn1 ZINC000666857855 487873517 /nfs/dbraw/zinc/87/35/17/487873517.db2.gz MLSWVSPOVXXBAL-OAHLLOKOSA-N 1 3 247.386 2.054 20 0 BEADHO Cc1ccc(CCCN[C@@H]2CCC[NH2+]CC2)cn1 ZINC000666857855 487873519 /nfs/dbraw/zinc/87/35/19/487873519.db2.gz MLSWVSPOVXXBAL-OAHLLOKOSA-N 1 3 247.386 2.054 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+]C[C@H]1CCCNC1 ZINC000666765796 487873654 /nfs/dbraw/zinc/87/36/54/487873654.db2.gz ZNZVVXIZTZHBPY-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](CCC(F)(F)F)NC[C@@H]1CCCC[NH2+]1 ZINC000666769914 487875432 /nfs/dbraw/zinc/87/54/32/487875432.db2.gz HFOCQKRTCWRMCN-UWVGGRQHSA-N 1 3 238.297 2.449 20 0 BEADHO CC(C)C[C@H](C)CNC[C@@H]1CCCC[NH2+]1 ZINC000666770545 487877050 /nfs/dbraw/zinc/87/70/50/487877050.db2.gz IKEQDHPSAHMUGU-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccccc1C1CC1 ZINC000666831973 487887724 /nfs/dbraw/zinc/88/77/24/487887724.db2.gz XKPJJARTTMLOHA-NSHDSACASA-N 1 3 218.344 2.391 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc2cnccc2c1 ZINC000666833203 487887855 /nfs/dbraw/zinc/88/78/55/487887855.db2.gz QRPMQJLHHAGAPT-LLVKDONJSA-N 1 3 229.327 2.062 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CC1(C)CCC1 ZINC000336713529 487888264 /nfs/dbraw/zinc/88/82/64/487888264.db2.gz VOGLLDVPUGCKLD-LBPRGKRZSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H](N)CC[N@H+](C)CC1(C)CCC1 ZINC000336713529 487888269 /nfs/dbraw/zinc/88/82/69/487888269.db2.gz VOGLLDVPUGCKLD-LBPRGKRZSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H](N)CC[N@@H+](C)CC1(C)CCC1 ZINC000336713529 487888276 /nfs/dbraw/zinc/88/82/76/487888276.db2.gz VOGLLDVPUGCKLD-LBPRGKRZSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCCNCC1 ZINC000666858017 487892364 /nfs/dbraw/zinc/89/23/64/487892364.db2.gz SVUPTBDQLGHCMX-ZJUUUORDSA-N 1 3 238.297 2.449 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cccc2cnccc21 ZINC000666910416 487901517 /nfs/dbraw/zinc/90/15/17/487901517.db2.gz FZWZZSGDYUTFLJ-CYBMUJFWSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCNC1(C)C)C(C)(C)C ZINC000666966505 487920033 /nfs/dbraw/zinc/92/00/33/487920033.db2.gz YNERLDFBCZPQFQ-QWRGUYRKSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995395 487924827 /nfs/dbraw/zinc/92/48/27/487924827.db2.gz MTKUJDDFJCPDBK-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO c1ccc(C[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666999423 487925913 /nfs/dbraw/zinc/92/59/13/487925913.db2.gz HFBOOMABFVWBGO-CQSZACIVSA-N 1 3 230.355 2.451 20 0 BEADHO COCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125964043 323002399 /nfs/dbraw/zinc/00/23/99/323002399.db2.gz NOLJLDROLZGZEV-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)NCCC[NH2+][C@H](C)C1CCSCC1 ZINC000562956251 323034943 /nfs/dbraw/zinc/03/49/43/323034943.db2.gz LZRAHENSOVEINJ-GFCCVEGCSA-N 1 3 244.448 2.496 20 0 BEADHO CCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)OC ZINC000569897531 323043658 /nfs/dbraw/zinc/04/36/58/323043658.db2.gz PASRFZRZWZUBOW-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](C)OC ZINC000569897531 323043659 /nfs/dbraw/zinc/04/36/59/323043659.db2.gz PASRFZRZWZUBOW-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)[NH2+]CCCNC1CC(C(C)C)C1 ZINC000569957237 323045686 /nfs/dbraw/zinc/04/56/86/323045686.db2.gz SRTFCMMVFMMDNH-UHFFFAOYSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)NCCC[NH2+]C1CC(C(C)C)C1 ZINC000569957237 323045687 /nfs/dbraw/zinc/04/56/87/323045687.db2.gz SRTFCMMVFMMDNH-UHFFFAOYSA-N 1 3 212.381 2.399 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000570226582 323053689 /nfs/dbraw/zinc/05/36/89/323053689.db2.gz OBADUXRTNNUTGF-CEUNDQEZSA-N 1 3 222.376 2.426 20 0 BEADHO Cc1ccc(OCCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000570463197 323060159 /nfs/dbraw/zinc/06/01/59/323060159.db2.gz UTDJUFIUTGYASH-KBPBESRZSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@H](C)c1cscn1 ZINC000570562627 323063096 /nfs/dbraw/zinc/06/30/96/323063096.db2.gz IEZBALPMFORWBE-NXEZZACHSA-N 1 3 227.377 2.311 20 0 BEADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cscn1 ZINC000570562629 323063154 /nfs/dbraw/zinc/06/31/54/323063154.db2.gz IEZBALPMFORWBE-VHSXEESVSA-N 1 3 227.377 2.311 20 0 BEADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000570815677 323071394 /nfs/dbraw/zinc/07/13/94/323071394.db2.gz CZRAQCQUOVNNMP-RRFJBIMHSA-N 1 3 248.370 2.234 20 0 BEADHO COc1ccccc1/C=C/CN[C@H](C)C[C@@H](C)[NH3+] ZINC000563135342 323094528 /nfs/dbraw/zinc/09/45/28/323094528.db2.gz JHDYFYLATFTSRJ-ZYARKTQMSA-N 1 3 248.370 2.424 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000563154705 323095852 /nfs/dbraw/zinc/09/58/52/323095852.db2.gz TWALEVYVDCCQEL-QNWHQSFQSA-N 1 3 228.355 2.387 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000571037877 323104383 /nfs/dbraw/zinc/10/43/83/323104383.db2.gz KTGCXCMSAXKKCJ-RISCZKNCSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000324209179 323136193 /nfs/dbraw/zinc/13/61/93/323136193.db2.gz CQGUHTDKGKSPFH-WCQYABFASA-N 1 3 210.365 2.010 20 0 BEADHO FC1(F)CC([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000571235827 323139039 /nfs/dbraw/zinc/13/90/39/323139039.db2.gz PFOVDTZMNOSOQZ-UHFFFAOYSA-N 1 3 244.329 2.248 20 0 BEADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc(C)n1 ZINC000571462081 323145520 /nfs/dbraw/zinc/14/55/20/323145520.db2.gz PIBSKGOGBVGHSO-KBPBESRZSA-N 1 3 233.359 2.058 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCc2ccccc2C1 ZINC000414942546 323152175 /nfs/dbraw/zinc/15/21/75/323152175.db2.gz ZQPCSQGWLSROGD-DAXOMENPSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000563881209 323182891 /nfs/dbraw/zinc/18/28/91/323182891.db2.gz MLDSCCVEWSRTLQ-MRVWCRGKSA-N 1 3 236.359 2.460 20 0 BEADHO COc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216060160 323195247 /nfs/dbraw/zinc/19/52/47/323195247.db2.gz HVAODTRYECNVOX-JSGCOSHPSA-N 1 3 248.370 2.173 20 0 BEADHO C1CC1[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC1 ZINC000530214826 323216821 /nfs/dbraw/zinc/21/68/21/323216821.db2.gz CYWFIGSNQIGHJP-ZIAGYGMSSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530214826 323216822 /nfs/dbraw/zinc/21/68/22/323216822.db2.gz CYWFIGSNQIGHJP-ZIAGYGMSSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324790579 323282794 /nfs/dbraw/zinc/28/27/94/323282794.db2.gz JURBLZZWGVVSIU-LERXQTSPSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCCNC1 ZINC000324788294 323282805 /nfs/dbraw/zinc/28/28/05/323282805.db2.gz IYKBDOIRJGNIOF-RISCZKNCSA-N 1 3 222.376 2.154 20 0 BEADHO CCC[C@H](NC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000324929724 323306407 /nfs/dbraw/zinc/30/64/07/323306407.db2.gz NHHWMVXWFBSPLD-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H]([NH2+]C[C@H]1CCCN1)C1CCC1 ZINC000324929724 323306411 /nfs/dbraw/zinc/30/64/11/323306411.db2.gz NHHWMVXWFBSPLD-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000571777088 323479361 /nfs/dbraw/zinc/47/93/61/323479361.db2.gz QWLDUUOZMLOCSK-RNJOBUHISA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CC12CC2 ZINC000527845024 323702951 /nfs/dbraw/zinc/70/29/51/323702951.db2.gz HPXHMLYYKOYRAV-STQMWFEESA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCCC2)C[C@@H]1CN ZINC000397331360 324212141 /nfs/dbraw/zinc/21/21/41/324212141.db2.gz RBIVBSCRVIAOEI-DYEKYZERSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCCC2)C[C@@H]1CN ZINC000397331360 324212145 /nfs/dbraw/zinc/21/21/45/324212145.db2.gz RBIVBSCRVIAOEI-DYEKYZERSA-N 1 3 224.392 2.482 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)OCC ZINC000530206566 324523345 /nfs/dbraw/zinc/52/33/45/324523345.db2.gz APOIPLXOJUFKTD-BFHYXJOUSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130197320 325023066 /nfs/dbraw/zinc/02/30/66/325023066.db2.gz NCHMNIFHVAOTIW-MRVWCRGKSA-N 1 3 222.376 2.391 20 0 BEADHO Cc1cc(F)ccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000565951146 325977378 /nfs/dbraw/zinc/97/73/78/325977378.db2.gz KRJKKJXFABFKHF-QWRGUYRKSA-N 1 3 224.323 2.350 20 0 BEADHO CCCNCC[NH2+][C@H](C)Cc1ccsc1 ZINC000567141967 326123554 /nfs/dbraw/zinc/12/35/54/326123554.db2.gz QNQYZSDORLWEAU-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO c1ccc(C[C@H]2CC[C@@H]([NH2+][C@H]3CCNC3)C2)cc1 ZINC000568260443 326336577 /nfs/dbraw/zinc/33/65/77/326336577.db2.gz SPDZRFKCYIEFBF-OAGGEKHMSA-N 1 3 244.382 2.349 20 0 BEADHO COCc1cccc(CNCCC[NH+]2CCC2)c1 ZINC000568531648 326364100 /nfs/dbraw/zinc/36/41/00/326364100.db2.gz JZGCQTDGGWFJRX-UHFFFAOYSA-N 1 3 248.370 2.018 20 0 BEADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@H](C)N)c1 ZINC000568749350 326374724 /nfs/dbraw/zinc/37/47/24/326374724.db2.gz VYVNQVNVZFXTRO-GXTWGEPZSA-N 1 3 248.370 2.049 20 0 BEADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](C)N)c1 ZINC000568749350 326374725 /nfs/dbraw/zinc/37/47/25/326374725.db2.gz VYVNQVNVZFXTRO-GXTWGEPZSA-N 1 3 248.370 2.049 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000568749073 326374798 /nfs/dbraw/zinc/37/47/98/326374798.db2.gz UPUCSORANXLJAS-XHDPSFHLSA-N 1 3 236.403 2.400 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960179 488113852 /nfs/dbraw/zinc/11/38/52/488113852.db2.gz POGJRQPEEFMITM-KBXIAJHMSA-N 1 3 236.403 2.495 20 0 BEADHO CCN(CC)CCC[N@H+](CC)C[C@@H]1CCOC1 ZINC000683140698 488117508 /nfs/dbraw/zinc/11/75/08/488117508.db2.gz BQUCLAXTIKJGIF-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC000683140698 488117513 /nfs/dbraw/zinc/11/75/13/488117513.db2.gz BQUCLAXTIKJGIF-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CCC[NH+](CC)CC)C[C@@H]1CCOC1 ZINC000683140698 488117519 /nfs/dbraw/zinc/11/75/19/488117519.db2.gz BQUCLAXTIKJGIF-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1N ZINC000403448164 488124696 /nfs/dbraw/zinc/12/46/96/488124696.db2.gz XMBYBCVMRXEWDR-XGFWRYKXSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1N ZINC000403448164 488124703 /nfs/dbraw/zinc/12/47/03/488124703.db2.gz XMBYBCVMRXEWDR-XGFWRYKXSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1[NH3+] ZINC000403448164 488124709 /nfs/dbraw/zinc/12/47/09/488124709.db2.gz XMBYBCVMRXEWDR-XGFWRYKXSA-N 1 3 222.376 2.092 20 0 BEADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403721642 488133722 /nfs/dbraw/zinc/13/37/22/488133722.db2.gz IDEXMOFOEYCDLJ-BARDWOONSA-N 1 3 236.403 2.354 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403721642 488133727 /nfs/dbraw/zinc/13/37/27/488133727.db2.gz IDEXMOFOEYCDLJ-BARDWOONSA-N 1 3 236.403 2.354 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CCC1CCC1 ZINC000300828306 487538666 /nfs/dbraw/zinc/53/86/66/487538666.db2.gz JXELRXPQPULPCR-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCNCC1)C(C)(C)C ZINC000168781257 487540435 /nfs/dbraw/zinc/54/04/35/487540435.db2.gz CXXGZGWMBHMBAP-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(O)cc1 ZINC000685470094 487533292 /nfs/dbraw/zinc/53/32/92/487533292.db2.gz UPZOGQPCBSUKNY-DOMZBBRYSA-N 1 3 248.370 2.164 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(O)cc1 ZINC000685470094 487533297 /nfs/dbraw/zinc/53/32/97/487533297.db2.gz UPZOGQPCBSUKNY-DOMZBBRYSA-N 1 3 248.370 2.164 20 0 BEADHO CC(C)(CCN1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000406018896 487495214 /nfs/dbraw/zinc/49/52/14/487495214.db2.gz CPVFNGYRKKFBDH-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000300242542 487505847 /nfs/dbraw/zinc/50/58/47/487505847.db2.gz NWRYZZCICDSAIN-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403789046 488138319 /nfs/dbraw/zinc/13/83/19/488138319.db2.gz ALMOREGQKFLGSC-MQYQWHSLSA-N 1 3 236.403 2.400 20 0 BEADHO CC[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000322529328 488189459 /nfs/dbraw/zinc/18/94/59/488189459.db2.gz PCGXLKQPLHRQSK-WTUNAVPPSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000322529328 488189464 /nfs/dbraw/zinc/18/94/64/488189464.db2.gz PCGXLKQPLHRQSK-WTUNAVPPSA-N 1 3 240.391 2.016 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000678083526 488194340 /nfs/dbraw/zinc/19/43/40/488194340.db2.gz KHYQTPMZQLJZIG-WDEREUQCSA-N 1 3 232.318 2.058 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000678083526 488194343 /nfs/dbraw/zinc/19/43/43/488194343.db2.gz KHYQTPMZQLJZIG-WDEREUQCSA-N 1 3 232.318 2.058 20 0 BEADHO CC[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000678342754 488243424 /nfs/dbraw/zinc/24/34/24/488243424.db2.gz GQUGJXMIQJGODG-FVQBIDKESA-N 1 3 244.382 2.331 20 0 BEADHO Cc1cccc(CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000679214957 488317534 /nfs/dbraw/zinc/31/75/34/488317534.db2.gz VXEIWOGBXQTGCZ-HZPDHXFCSA-N 1 3 244.382 2.079 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283124 490096227 /nfs/dbraw/zinc/09/62/27/490096227.db2.gz HUBXCCCFQVXQMK-JSGCOSHPSA-N 1 3 236.359 2.319 20 0 BEADHO c1ccc(CCCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000122194009 490128536 /nfs/dbraw/zinc/12/85/36/490128536.db2.gz BUFPEFBIOZRFKX-IYBDPMFKSA-N 1 3 244.382 2.161 20 0 BEADHO CC1(C)CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000129586289 490153177 /nfs/dbraw/zinc/15/31/77/490153177.db2.gz XMPDXDDOKXFROX-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CC1 ZINC000083055794 490318479 /nfs/dbraw/zinc/31/84/79/490318479.db2.gz KUBAUVWQDBVZGI-GXTWGEPZSA-N 1 3 224.392 2.495 20 0 BEADHO c1cc(N2CC[NH+](CC3CCCC3)CC2)ccn1 ZINC000125250373 490421602 /nfs/dbraw/zinc/42/16/02/490421602.db2.gz ACPHWWSQMBKMDN-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO C(CC1CC1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000128059572 490570893 /nfs/dbraw/zinc/57/08/93/490570893.db2.gz JWXWUZWMLFWAES-OLZOCXBDSA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000128059572 490570898 /nfs/dbraw/zinc/57/08/98/490570898.db2.gz JWXWUZWMLFWAES-OLZOCXBDSA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128059572 490570901 /nfs/dbraw/zinc/57/09/01/490570901.db2.gz JWXWUZWMLFWAES-OLZOCXBDSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@@H]1CCC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000235311375 491067486 /nfs/dbraw/zinc/06/74/86/491067486.db2.gz LHIIPHUNEOEBBJ-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+]CC[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000662271445 491085297 /nfs/dbraw/zinc/08/52/97/491085297.db2.gz GWDOYZVKHRCQBS-NSHDSACASA-N 1 3 249.358 2.113 20 0 BEADHO Cc1ncccc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404292488 491093606 /nfs/dbraw/zinc/09/36/06/491093606.db2.gz LVJHNICPMZWTLE-IUODEOHRSA-N 1 3 247.386 2.339 20 0 BEADHO CC(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000309671284 491153600 /nfs/dbraw/zinc/15/36/00/491153600.db2.gz JXHSDEQPOKWFRC-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837097 /nfs/dbraw/zinc/83/70/97/527837097.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837102 /nfs/dbraw/zinc/83/71/02/527837102.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837109 /nfs/dbraw/zinc/83/71/09/527837109.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000488321747 527837113 /nfs/dbraw/zinc/83/71/13/527837113.db2.gz NRIMXTQTWXXTBZ-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414847541 528034046 /nfs/dbraw/zinc/03/40/46/528034046.db2.gz FSWLXOVYRCLVTL-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)([NH3+])CN1CCC2(C1)CCCCC2 ZINC000261531136 535197528 /nfs/dbraw/zinc/19/75/28/535197528.db2.gz FIAAVJWHLDWOPF-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@]1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261557552 535910993 /nfs/dbraw/zinc/91/09/93/535910993.db2.gz XKGPJDLZNUOWIV-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CCc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261565584 535935986 /nfs/dbraw/zinc/93/59/86/535935986.db2.gz HSZXYQZIMWVNBK-XHSDSOJGSA-N 1 3 244.382 2.418 20 0 BEADHO CC[C@@]1(C)CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918605 536038441 /nfs/dbraw/zinc/03/84/41/536038441.db2.gz ZZFDMFIRTSZNFN-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252219045 536375310 /nfs/dbraw/zinc/37/53/10/536375310.db2.gz YNWOKELNNHMNAQ-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252219045 536375313 /nfs/dbraw/zinc/37/53/13/536375313.db2.gz YNWOKELNNHMNAQ-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853248939 588728954 /nfs/dbraw/zinc/72/89/54/588728954.db2.gz LZUKKXGFSOBOBP-IVZWLZJFSA-N 1 3 238.297 2.305 20 0 BEADHO CC[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892222250 582809044 /nfs/dbraw/zinc/80/90/44/582809044.db2.gz QRNCGXABLWJVKY-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO CC[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892222250 582809045 /nfs/dbraw/zinc/80/90/45/582809045.db2.gz QRNCGXABLWJVKY-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000381538169 582900596 /nfs/dbraw/zinc/90/05/96/582900596.db2.gz HKIZLYPZVWEFGA-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CCCSC[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000892612544 582929313 /nfs/dbraw/zinc/92/93/13/582929313.db2.gz ARTMWRMCVYPGGB-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000394501533 582988995 /nfs/dbraw/zinc/98/89/95/582988995.db2.gz BHVMEHSVEQMXNE-LXTVHRRPSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H]1CCCC[N@H+](CC2CCN(C)CC2)C1 ZINC000893678568 583197839 /nfs/dbraw/zinc/19/78/39/583197839.db2.gz LEXIECRQXCPKCK-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H]1CCCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000893678568 583197840 /nfs/dbraw/zinc/19/78/40/583197840.db2.gz LEXIECRQXCPKCK-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000894735101 583514344 /nfs/dbraw/zinc/51/43/44/583514344.db2.gz GJHKNPOCVHWLLA-HOTGVXAUSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000894735101 583514345 /nfs/dbraw/zinc/51/43/45/583514345.db2.gz GJHKNPOCVHWLLA-HOTGVXAUSA-N 1 3 248.414 2.449 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@@H+]1CC1CCN(C)CC1 ZINC000894924952 583556685 /nfs/dbraw/zinc/55/66/85/583556685.db2.gz FDZVCKRUMDRZFJ-GFCCVEGCSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@H+]1CC1CCN(C)CC1 ZINC000894924952 583556686 /nfs/dbraw/zinc/55/66/86/583556686.db2.gz FDZVCKRUMDRZFJ-GFCCVEGCSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)[C@H](C)C1 ZINC000895009685 583567338 /nfs/dbraw/zinc/56/73/38/583567338.db2.gz HBRQOIGDVHWSCL-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)[C@H](C)C1 ZINC000895009685 583567339 /nfs/dbraw/zinc/56/73/39/583567339.db2.gz HBRQOIGDVHWSCL-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO COC1(C[C@H](C)[NH2+]CC[C@@H](C)N(C)C)CCC1 ZINC000895294578 583638315 /nfs/dbraw/zinc/63/83/15/583638315.db2.gz RTRGIIKZZHEZSI-QWHCGFSZSA-N 1 3 242.407 2.264 20 0 BEADHO COC[C@H](CC(C)(C)C)NCC[C@H](C)[NH+](C)C ZINC000895292594 583638820 /nfs/dbraw/zinc/63/88/20/583638820.db2.gz RAUGZAPBGNUZEZ-STQMWFEESA-N 1 3 244.423 2.367 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCC2(CCC2)O1 ZINC000883429739 583808623 /nfs/dbraw/zinc/80/86/23/583808623.db2.gz CPOCJVUHIWFPHC-VXGBXAGGSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1cncc2ccccc21 ZINC000841031672 584031007 /nfs/dbraw/zinc/03/10/07/584031007.db2.gz VEEPIWHZTGMRKZ-HNNXBMFYSA-N 1 3 243.354 2.308 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000897955451 584065082 /nfs/dbraw/zinc/06/50/82/584065082.db2.gz UVAGLQKMQOTMSJ-ZSAUSMIDSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897955451 584065085 /nfs/dbraw/zinc/06/50/85/584065085.db2.gz UVAGLQKMQOTMSJ-ZSAUSMIDSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897955451 584065087 /nfs/dbraw/zinc/06/50/87/584065087.db2.gz UVAGLQKMQOTMSJ-ZSAUSMIDSA-N 1 3 234.387 2.391 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000858490870 588960028 /nfs/dbraw/zinc/96/00/28/588960028.db2.gz RILDURTXFMOXBB-BPLDGKMQSA-N 1 3 236.403 2.497 20 0 BEADHO CCOCCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902315403 584555573 /nfs/dbraw/zinc/55/55/73/584555573.db2.gz KZGQIJOJELLHDK-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO CSC[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331946 584563100 /nfs/dbraw/zinc/56/31/00/584563100.db2.gz WZTVKGSMGXHNFH-WDEREUQCSA-N 1 3 230.421 2.106 20 0 BEADHO CSC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902331946 584563101 /nfs/dbraw/zinc/56/31/01/584563101.db2.gz WZTVKGSMGXHNFH-WDEREUQCSA-N 1 3 230.421 2.106 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC2CC(F)(F)C2)C1 ZINC000902377191 584568770 /nfs/dbraw/zinc/56/87/70/584568770.db2.gz SONYZDCBASVUKT-SECBINFHSA-N 1 3 232.318 2.152 20 0 BEADHO Cc1ccccc1C[C@@H](C)NCC1([NH3+])CC1 ZINC000902415308 584589396 /nfs/dbraw/zinc/58/93/96/584589396.db2.gz DEMKFIJHRUXLJL-GFCCVEGCSA-N 1 3 218.344 2.007 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000902429230 584594552 /nfs/dbraw/zinc/59/45/52/584594552.db2.gz COMOVQOCZNUFHZ-GFCCVEGCSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)(CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000902430884 584594951 /nfs/dbraw/zinc/59/49/51/584594951.db2.gz JKBTUYYQNRZWRY-KYYPQDQFSA-N 1 3 234.387 2.009 20 0 BEADHO CC(C)(C[NH2+][C@@H]1[C@H]2C[C@H]3CN[C@H]1[C@H]3C2)C1CC1 ZINC000902430884 584594952 /nfs/dbraw/zinc/59/49/52/584594952.db2.gz JKBTUYYQNRZWRY-KYYPQDQFSA-N 1 3 234.387 2.009 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902440906 584597688 /nfs/dbraw/zinc/59/76/88/584597688.db2.gz BEOYVNGAYPWNPJ-QWRGUYRKSA-N 1 3 212.381 2.399 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C1(CC)CC ZINC000902414537 584600184 /nfs/dbraw/zinc/60/01/84/584600184.db2.gz WSYSMGYZKDLWIT-VXGBXAGGSA-N 1 3 240.391 2.051 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1N3)C2 ZINC000902473464 584602101 /nfs/dbraw/zinc/60/21/01/584602101.db2.gz ZJYRYKHDEQEGSR-XUWVNRHRSA-N 1 3 242.366 2.026 20 0 BEADHO CC1(C)NCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902447307 584604558 /nfs/dbraw/zinc/60/45/58/584604558.db2.gz RYZCUXWCSZCSOL-FGNRJIRKSA-N 1 3 240.416 2.143 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CNCC1(C)C ZINC000902448112 584604600 /nfs/dbraw/zinc/60/46/00/584604600.db2.gz CHJHUMPZIHLBHU-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902447319 584604843 /nfs/dbraw/zinc/60/48/43/584604843.db2.gz SHEATWHJHNQJGA-NWDGAFQWSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902448116 584604901 /nfs/dbraw/zinc/60/49/01/584604901.db2.gz CJTNEHCTMGCTTM-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000902447565 584605147 /nfs/dbraw/zinc/60/51/47/584605147.db2.gz ZQWBILILAGTDCJ-NWDGAFQWSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1CNCC1(C)C ZINC000902447572 584605195 /nfs/dbraw/zinc/60/51/95/584605195.db2.gz ZRVCLWDEKIHHDW-NMKXLXIOSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](N[C@H]1CCCC2(CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000902455216 584609668 /nfs/dbraw/zinc/60/96/68/584609668.db2.gz WWEKUBFVAFTXGF-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1CCCN1 ZINC000902455216 584609671 /nfs/dbraw/zinc/60/96/71/584609671.db2.gz WWEKUBFVAFTXGF-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C1CC1[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902461760 584611218 /nfs/dbraw/zinc/61/12/18/584611218.db2.gz RHYWBBQMKLBXKP-GBJTYRQASA-N 1 3 234.387 2.438 20 0 BEADHO C1CC1[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902463637 584612096 /nfs/dbraw/zinc/61/20/96/584612096.db2.gz AERUVHRGIZAXCH-XPABHHOTSA-N 1 3 234.387 2.438 20 0 BEADHO C1C[C@@H]2[NH2+][C@H]1C[C@@H]2NC1C2CC3CC(C2)CC1C3 ZINC000902464637 584612757 /nfs/dbraw/zinc/61/27/57/584612757.db2.gz BAUASSZKSUYNOJ-GGTCIGHJSA-N 1 3 246.398 2.294 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902465243 584613044 /nfs/dbraw/zinc/61/30/44/584613044.db2.gz DDDNIQGDZHASSN-SLBVQIDZSA-N 1 3 244.382 2.409 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469162 584615645 /nfs/dbraw/zinc/61/56/45/584615645.db2.gz YLNXSWLIRCAFNO-IZMFDJJNSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468365 584615708 /nfs/dbraw/zinc/61/57/08/584615708.db2.gz SKFVLCCXPYXZMK-ARLBYUKCSA-N 1 3 244.382 2.490 20 0 BEADHO C1CC(C(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CCC2)C1 ZINC000902470665 584616166 /nfs/dbraw/zinc/61/61/66/584616166.db2.gz ZKCITMMDLWSHNL-BFHYXJOUSA-N 1 3 234.387 2.438 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1F ZINC000902489957 584617635 /nfs/dbraw/zinc/61/76/35/584617635.db2.gz SYRLRCHSQDDXHD-GMTAPVOTSA-N 1 3 222.307 2.214 20 0 BEADHO C[C@@H](N[C@@H]1CC=CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000902506163 584621831 /nfs/dbraw/zinc/62/18/31/584621831.db2.gz XFMDFHJWTGEGNC-FDYHWXHSSA-N 1 3 208.349 2.071 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)[C@H]1CCCN1 ZINC000902506163 584621832 /nfs/dbraw/zinc/62/18/32/584621832.db2.gz XFMDFHJWTGEGNC-FDYHWXHSSA-N 1 3 208.349 2.071 20 0 BEADHO C[C@H](N[C@@H]1CC=CC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000902506170 584621954 /nfs/dbraw/zinc/62/19/54/584621954.db2.gz XFMDFHJWTGEGNC-YVECIDJPSA-N 1 3 208.349 2.071 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)[C@H]1CCCN1 ZINC000902506170 584621955 /nfs/dbraw/zinc/62/19/55/584621955.db2.gz XFMDFHJWTGEGNC-YVECIDJPSA-N 1 3 208.349 2.071 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCCCN1 ZINC000902481816 584623925 /nfs/dbraw/zinc/62/39/25/584623925.db2.gz HHSTVEZBOGITNZ-ZIAGYGMSSA-N 1 3 242.407 2.169 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCCCN1 ZINC000902481812 584624314 /nfs/dbraw/zinc/62/43/14/584624314.db2.gz HHSTVEZBOGITNZ-KBPBESRZSA-N 1 3 242.407 2.169 20 0 BEADHO C([NH2+][C@@H]1CCCSC1)[C@@H]1CCCCCN1 ZINC000902485282 584624797 /nfs/dbraw/zinc/62/47/97/584624797.db2.gz ZEHYHNRAOHIGHT-NWDGAFQWSA-N 1 3 228.405 2.004 20 0 BEADHO Cc1cc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)c(C)o1 ZINC000902485962 584625203 /nfs/dbraw/zinc/62/52/03/584625203.db2.gz CYXLDDSLBQFBRQ-DLOVCJGASA-N 1 3 222.332 2.284 20 0 BEADHO CCc1ccc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)o1 ZINC000902486396 584625423 /nfs/dbraw/zinc/62/54/23/584625423.db2.gz GNHVTCUMIYOFFG-GMTAPVOTSA-N 1 3 222.332 2.230 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cccc(F)c1F ZINC000902485487 584625528 /nfs/dbraw/zinc/62/55/28/584625528.db2.gz LBDGSFXSQVEKCX-OPRDCNLKSA-N 1 3 240.297 2.353 20 0 BEADHO COc1cc(C)ccc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489381 584627640 /nfs/dbraw/zinc/62/76/40/584627640.db2.gz PVWGLGBBLQYNQT-JHJVBQTASA-N 1 3 248.370 2.392 20 0 BEADHO CN1CC=C(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902896932 584691407 /nfs/dbraw/zinc/69/14/07/584691407.db2.gz NKSBWLJYQAYUOR-ZIAGYGMSSA-N 1 3 234.387 2.417 20 0 BEADHO C[C@H](C[NH2+]C1CC2(CCC2)C1)CN(C)C ZINC000903174860 584732504 /nfs/dbraw/zinc/73/25/04/584732504.db2.gz NTAUCLMEKCZBDS-LLVKDONJSA-N 1 3 210.365 2.106 20 0 BEADHO CO[C@H]1CCC[C@@H]1NCCC[N@H+](C)CC(C)C ZINC000903195061 584734260 /nfs/dbraw/zinc/73/42/60/584734260.db2.gz URXUWRZKWLZSLO-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H]1CCC[C@@H]1NCCC[N@@H+](C)CC(C)C ZINC000903195061 584734261 /nfs/dbraw/zinc/73/42/61/584734261.db2.gz URXUWRZKWLZSLO-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H]1CCC[C@@H]1[NH2+]CCCN(C)CC(C)C ZINC000903195061 584734262 /nfs/dbraw/zinc/73/42/62/584734262.db2.gz URXUWRZKWLZSLO-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903447137 584770890 /nfs/dbraw/zinc/77/08/90/584770890.db2.gz GOFGYSHYKISOQK-FZMZJTMJSA-N 1 3 243.354 2.337 20 0 BEADHO [NH3+][C@@H]1CC[C@H](CN2CCc3cccc(F)c3C2)C1 ZINC000903455109 584773475 /nfs/dbraw/zinc/77/34/75/584773475.db2.gz QDIXNDTVYVGYTH-WCQYABFASA-N 1 3 248.345 2.311 20 0 BEADHO C([NH2+][C@H]1CCNC12CCCC2)C1CCC1 ZINC000903483035 584778988 /nfs/dbraw/zinc/77/89/88/584778988.db2.gz BLVYFQMTQHHSLC-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO C[N@H+](C[C@@H]1CCCCNC1)C(C1CC1)C1CC1 ZINC000903727313 584793041 /nfs/dbraw/zinc/79/30/41/584793041.db2.gz SGESEHOSKJGGQH-GFCCVEGCSA-N 1 3 236.403 2.497 20 0 BEADHO C[N@@H+](C[C@@H]1CCCCNC1)C(C1CC1)C1CC1 ZINC000903727313 584793043 /nfs/dbraw/zinc/79/30/43/584793043.db2.gz SGESEHOSKJGGQH-GFCCVEGCSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccccc2CF)C1 ZINC000903744719 584796540 /nfs/dbraw/zinc/79/65/40/584796540.db2.gz XMXQSWWXBFPOSJ-YPMHNXCESA-N 1 3 236.334 2.325 20 0 BEADHO FCCC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903777022 584799219 /nfs/dbraw/zinc/79/92/19/584799219.db2.gz ZBICLSQCLBVSBW-CQSZACIVSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@]12C[N@H+](C[C@@H]3CCCNC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826532 584805084 /nfs/dbraw/zinc/80/50/84/584805084.db2.gz LICRVMQQHILQMK-DGADGQDISA-N 1 3 246.398 2.130 20 0 BEADHO C[C@]12C[N@@H+](C[C@@H]3CCCNC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826532 584805085 /nfs/dbraw/zinc/80/50/85/584805085.db2.gz LICRVMQQHILQMK-DGADGQDISA-N 1 3 246.398 2.130 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857363 584810076 /nfs/dbraw/zinc/81/00/76/584810076.db2.gz DKWPIWQFQJAFRP-NQBHXWOUSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@H]1CC[N@H+](C[C@H](N)CC(F)F)CC12CCC2 ZINC000903913467 584822584 /nfs/dbraw/zinc/82/25/84/584822584.db2.gz CNUYCZTYIIHYBS-WDEREUQCSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@H](N)CC(F)F)CC12CCC2 ZINC000903913467 584822585 /nfs/dbraw/zinc/82/25/85/584822585.db2.gz CNUYCZTYIIHYBS-WDEREUQCSA-N 1 3 246.345 2.481 20 0 BEADHO Cc1ccccc1CCNC[C@H]([NH3+])CC(F)F ZINC000903921563 584823075 /nfs/dbraw/zinc/82/30/75/584823075.db2.gz PEWISPBNCRPYOX-GFCCVEGCSA-N 1 3 242.313 2.110 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000903963591 584833569 /nfs/dbraw/zinc/83/35/69/584833569.db2.gz BQFXGNDWFPURBZ-YXCITZCRSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000903964093 584833854 /nfs/dbraw/zinc/83/38/54/584833854.db2.gz LHTFSQQFQJEZLJ-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000903966733 584834431 /nfs/dbraw/zinc/83/44/31/584834431.db2.gz ALDDBHAFVAPXLK-OEAJRASXSA-N 1 3 244.382 2.235 20 0 BEADHO C[C@H](Cc1ccsc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967361 584834950 /nfs/dbraw/zinc/83/49/50/584834950.db2.gz IHJDZLDZJUFXKN-WZRBSPASSA-N 1 3 238.400 2.124 20 0 BEADHO C[C@@H](CNC[C@@H]1C[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000903968325 584835043 /nfs/dbraw/zinc/83/50/43/584835043.db2.gz SSBCUVQVTHMBTI-IIAWOOMASA-N 1 3 246.398 2.310 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CN[C@H](CO)C(C)(C)C ZINC000904338557 584864814 /nfs/dbraw/zinc/86/48/14/584864814.db2.gz SXNBBEUECUTLEF-VXGBXAGGSA-N 1 3 244.423 2.137 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@H]3CCCC[C@@H]32)C1 ZINC000904324221 584864899 /nfs/dbraw/zinc/86/48/99/584864899.db2.gz FRHGMWYGPUUNJQ-RNJOBUHISA-N 1 3 240.416 2.084 20 0 BEADHO CC[C@](C)(CCO)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904329456 584865815 /nfs/dbraw/zinc/86/58/15/584865815.db2.gz NWHXJVAEHRXGJV-GXTWGEPZSA-N 1 3 244.423 2.281 20 0 BEADHO CCC[C@](C)(CO)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904330038 584866227 /nfs/dbraw/zinc/86/62/27/584866227.db2.gz XJNUHWJVHBFKKA-TZMCWYRMSA-N 1 3 244.423 2.281 20 0 BEADHO Cc1cc(F)cc2c1CN(C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904344922 584867846 /nfs/dbraw/zinc/86/78/46/584867846.db2.gz BGULCBZEVHXYNF-VDISTLRHSA-N 1 3 248.345 2.230 20 0 BEADHO C[C@H]1COc2ccccc2CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345337 584868271 /nfs/dbraw/zinc/86/82/71/584868271.db2.gz CWHBYBDSPNVDHB-SGMGOOAPSA-N 1 3 246.354 2.007 20 0 BEADHO COc1ccc(C)cc1[C@H](C)NC1CC(C[NH3+])C1 ZINC000904371731 584873122 /nfs/dbraw/zinc/87/31/22/584873122.db2.gz SDTGCGWLXYMMFM-HIFPTAJRSA-N 1 3 248.370 2.392 20 0 BEADHO CC1(F)CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904384426 584877446 /nfs/dbraw/zinc/87/74/46/584877446.db2.gz KKVNUUILBXUVMN-GFCCVEGCSA-N 1 3 228.355 2.200 20 0 BEADHO CC1(F)CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904384426 584877447 /nfs/dbraw/zinc/87/74/47/584877447.db2.gz KKVNUUILBXUVMN-GFCCVEGCSA-N 1 3 228.355 2.200 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN[C@@H](CF)c2ccc(F)cc2)C1 ZINC000904385321 584877830 /nfs/dbraw/zinc/87/78/30/584877830.db2.gz VOLFDAFNDKLFQZ-BIMULSAOSA-N 1 3 240.297 2.163 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000782184865 585810700 /nfs/dbraw/zinc/81/07/00/585810700.db2.gz GPJOHAPBEWCBOF-GXTWGEPZSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000782184865 585810701 /nfs/dbraw/zinc/81/07/01/585810701.db2.gz GPJOHAPBEWCBOF-GXTWGEPZSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000782184865 585810702 /nfs/dbraw/zinc/81/07/02/585810702.db2.gz GPJOHAPBEWCBOF-GXTWGEPZSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184865 585810703 /nfs/dbraw/zinc/81/07/03/585810703.db2.gz GPJOHAPBEWCBOF-GXTWGEPZSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H]1SCC[N@H+](CC2CCN(C)CC2)[C@H]1C ZINC000788480476 585925184 /nfs/dbraw/zinc/92/51/84/585925184.db2.gz KCPRQYVYALVYRU-NWDGAFQWSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@H]1SCC[N@@H+](CC2CCN(C)CC2)[C@H]1C ZINC000788480476 585925185 /nfs/dbraw/zinc/92/51/85/585925185.db2.gz KCPRQYVYALVYRU-NWDGAFQWSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@H]1SCC[N@H+](CC2CCN(C)CC2)[C@@H]1C ZINC000788480478 585925454 /nfs/dbraw/zinc/92/54/54/585925454.db2.gz KCPRQYVYALVYRU-VXGBXAGGSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@H]1SCC[N@@H+](CC2CCN(C)CC2)[C@@H]1C ZINC000788480478 585925455 /nfs/dbraw/zinc/92/54/55/585925455.db2.gz KCPRQYVYALVYRU-VXGBXAGGSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@@H]1SCC[N@H+](CC2CCN(C)CC2)[C@H]1C ZINC000788480477 585925466 /nfs/dbraw/zinc/92/54/66/585925466.db2.gz KCPRQYVYALVYRU-RYUDHWBXSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@@H]1SCC[N@@H+](CC2CCN(C)CC2)[C@H]1C ZINC000788480477 585925467 /nfs/dbraw/zinc/92/54/67/585925467.db2.gz KCPRQYVYALVYRU-RYUDHWBXSA-N 1 3 242.432 2.154 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(C)o1 ZINC000814178435 586615864 /nfs/dbraw/zinc/61/58/64/586615864.db2.gz PSDGLFAHDQSWKB-OAHLLOKOSA-N 1 3 248.370 2.424 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(C)o1 ZINC000814178435 586615865 /nfs/dbraw/zinc/61/58/65/586615865.db2.gz PSDGLFAHDQSWKB-OAHLLOKOSA-N 1 3 248.370 2.424 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000817890482 586832280 /nfs/dbraw/zinc/83/22/80/586832280.db2.gz YOCDBMYACGGPKW-HUUCEWRRSA-N 1 3 248.370 2.443 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)C(C)(C)C ZINC000817893967 586834116 /nfs/dbraw/zinc/83/41/16/586834116.db2.gz JTOJKAKXRNSHFW-ZDEQEGDKSA-N 1 3 242.407 2.011 20 0 BEADHO CS[C@@H]1CC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000817897223 586834681 /nfs/dbraw/zinc/83/46/81/586834681.db2.gz HGUTYKXJBXOMLM-LPWJVIDDSA-N 1 3 242.432 2.391 20 0 BEADHO CCC(CC)(CN[C@H]1C[NH2+]CC[C@@H]1C)SC ZINC000817900546 586835862 /nfs/dbraw/zinc/83/58/62/586835862.db2.gz PTIJLJWLEVHQFO-RYUDHWBXSA-N 1 3 244.448 2.496 20 0 BEADHO CSC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000817899295 586836092 /nfs/dbraw/zinc/83/60/92/586836092.db2.gz KVYLSWBWOOJYLP-QWRGUYRKSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1ccccc1 ZINC000817900074 586836179 /nfs/dbraw/zinc/83/61/79/586836179.db2.gz KCTFUGMOVDZONE-DZGCQCFKSA-N 1 3 247.386 2.076 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1CCC1 ZINC000817906747 586837420 /nfs/dbraw/zinc/83/74/20/586837420.db2.gz FEBYWKPSRBGQTL-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cccc(OCCCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000817907774 586837468 /nfs/dbraw/zinc/83/74/68/586837468.db2.gz WETJPPWQBRKENW-CABCVRRESA-N 1 3 248.370 2.233 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2NCC[C@H](C)[NH3+] ZINC000817951102 586847908 /nfs/dbraw/zinc/84/79/08/586847908.db2.gz BGIKKEGOHVAYCG-SMDDNHRTSA-N 1 3 218.344 2.309 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@H](C)[C@@H](C)[NH3+] ZINC000817978013 586861541 /nfs/dbraw/zinc/86/15/41/586861541.db2.gz TVNAYRGQLURIHY-OPRDCNLKSA-N 1 3 218.410 2.232 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817957692 586850806 /nfs/dbraw/zinc/85/08/06/586850806.db2.gz DQSDVSNENXZTRS-RISCZKNCSA-N 1 3 248.370 2.255 20 0 BEADHO Cc1cc(F)ccc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000817961618 586853442 /nfs/dbraw/zinc/85/34/42/586853442.db2.gz AZMVEYLYAZMDDD-MWLCHTKSSA-N 1 3 224.323 2.380 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000817972122 586859697 /nfs/dbraw/zinc/85/96/97/586859697.db2.gz TWQVAQQSGIGASU-QJPTWQEYSA-N 1 3 244.448 2.494 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000817972122 586859698 /nfs/dbraw/zinc/85/96/98/586859698.db2.gz TWQVAQQSGIGASU-QJPTWQEYSA-N 1 3 244.448 2.494 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817977450 586861201 /nfs/dbraw/zinc/86/12/01/586861201.db2.gz KLQIUCFDJYZBMP-DCAQKATOSA-N 1 3 234.343 2.008 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc2c(c1)CC(C)(C)O2 ZINC000841048691 587939721 /nfs/dbraw/zinc/93/97/21/587939721.db2.gz KXMSDRQITRRFGF-LLVKDONJSA-N 1 3 248.370 2.085 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841076883 587943817 /nfs/dbraw/zinc/94/38/17/587943817.db2.gz RZTHYHALRZYSIJ-GHMZBOCLSA-N 1 3 248.370 2.225 20 0 BEADHO C[C@H](CCCC[NH3+])NCc1cccnc1Cl ZINC000841080529 587945208 /nfs/dbraw/zinc/94/52/08/587945208.db2.gz SDNIRZDRJIMLDJ-SNVBAGLBSA-N 1 3 241.766 2.342 20 0 BEADHO CC(C)n1nccc1CNCCCCCC[NH3+] ZINC000843127072 588081992 /nfs/dbraw/zinc/08/19/92/588081992.db2.gz CAQNSSCRBPKHHY-UHFFFAOYSA-N 1 3 238.379 2.073 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1ccc(F)cn1 ZINC000843340750 588101175 /nfs/dbraw/zinc/10/11/75/588101175.db2.gz DUZQJHZZIWMKKN-LLVKDONJSA-N 1 3 239.338 2.390 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000844923582 588218847 /nfs/dbraw/zinc/21/88/47/588218847.db2.gz LMZAYSWTKXHATN-NAKRPEOUSA-N 1 3 236.762 2.407 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2CN)C[C@@]1(F)Cl ZINC000844926579 588219306 /nfs/dbraw/zinc/21/93/06/588219306.db2.gz YULIPSJORMGUFA-WYUUTHIRSA-N 1 3 248.773 2.408 20 0 BEADHO Cl/C=C/CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000846221251 588261241 /nfs/dbraw/zinc/26/12/41/588261241.db2.gz VICACEDIOOXPKE-HKJRJLCPSA-N 1 3 228.767 2.060 20 0 BEADHO C[C@H]1CC2(CN1C/C=C/Cl)CC[NH2+]CC2 ZINC000846224460 588261613 /nfs/dbraw/zinc/26/16/13/588261613.db2.gz XSVZKOZBQZQQDA-DGXRNCNBSA-N 1 3 228.767 2.203 20 0 BEADHO [NH3+]CCCCCCNCc1ccccc1F ZINC000107787686 588405892 /nfs/dbraw/zinc/40/58/92/588405892.db2.gz BKLUAUIJSZAPGN-UHFFFAOYSA-N 1 3 224.323 2.434 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000863486690 589292677 /nfs/dbraw/zinc/29/26/77/589292677.db2.gz CNTQPYKSFKFLPL-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO Cc1cc(N2CC[N@@H+](C)C(C)(C)CC2)ccn1 ZINC000866112680 589477301 /nfs/dbraw/zinc/47/73/01/589477301.db2.gz IQVVZPYQOBFRTL-UHFFFAOYSA-N 1 3 233.359 2.311 20 0 BEADHO Cc1cc(N2CC[N@H+](C)C(C)(C)CC2)ccn1 ZINC000866112680 589477302 /nfs/dbraw/zinc/47/73/02/589477302.db2.gz IQVVZPYQOBFRTL-UHFFFAOYSA-N 1 3 233.359 2.311 20 0 BEADHO CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000866583364 589502030 /nfs/dbraw/zinc/50/20/30/589502030.db2.gz KFYMCSRHPGKGIP-AVGNSLFASA-N 1 3 210.365 2.201 20 0 BEADHO CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000866583364 589502032 /nfs/dbraw/zinc/50/20/32/589502032.db2.gz KFYMCSRHPGKGIP-AVGNSLFASA-N 1 3 210.365 2.201 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CCC1 ZINC000123939265 589864696 /nfs/dbraw/zinc/86/46/96/589864696.db2.gz RKPYDSVNVOOOGP-CYZMBNFOSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CCC1 ZINC000123939676 589865763 /nfs/dbraw/zinc/86/57/63/589865763.db2.gz RKPYDSVNVOOOGP-UHTWSYAYSA-N 1 3 210.365 2.282 20 0 BEADHO c1cc(NCCN2CCCCC2)c(C2CC2)c[nH+]1 ZINC000872414474 589936497 /nfs/dbraw/zinc/93/64/97/589936497.db2.gz SXILDJWWFDJAAB-UHFFFAOYSA-N 1 3 245.370 2.279 20 0 BEADHO CCN1CCCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872448269 589940269 /nfs/dbraw/zinc/94/02/69/589940269.db2.gz MHIOPRUCRWETGJ-UHFFFAOYSA-N 1 3 245.370 2.491 20 0 BEADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2F)C1 ZINC000873217626 589997800 /nfs/dbraw/zinc/99/78/00/589997800.db2.gz MNCABZDSHFMZSD-FIQHERPVSA-N 1 3 214.328 2.127 20 0 BEADHO CC(C)CCC[NH2+][C@@]12CCC[C@H]1NCC2 ZINC000873232098 589999256 /nfs/dbraw/zinc/99/92/56/589999256.db2.gz VPRRIYWRAVNXPP-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO COCCC[C@H](C)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236920 590004539 /nfs/dbraw/zinc/00/45/39/590004539.db2.gz KTKJSOPWXMYLEB-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H]1CCSC1)[C@@H]1CCCN1 ZINC000873235513 590004736 /nfs/dbraw/zinc/00/47/36/590004736.db2.gz NIQUBURMSPTYOG-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cccnc1Cl ZINC000873254321 590009374 /nfs/dbraw/zinc/00/93/74/590009374.db2.gz QOAAWZNZOZGLSL-BBBLOLIVSA-N 1 3 239.750 2.123 20 0 BEADHO Cc1nc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)c(C)s1 ZINC000873256734 590011774 /nfs/dbraw/zinc/01/17/74/590011774.db2.gz PTITZRARSJAUQI-SWPVVBRQSA-N 1 3 239.388 2.148 20 0 BEADHO CC[C@@H](C)C[NH2+]CCCN(CC)CC ZINC000020090542 590073336 /nfs/dbraw/zinc/07/33/36/590073336.db2.gz DSIRHQQSEVXZKQ-GFCCVEGCSA-N 1 3 200.370 2.354 20 0 BEADHO C=C/C=C\CC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000878167685 590514200 /nfs/dbraw/zinc/51/42/00/590514200.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C\CC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000878167685 590514201 /nfs/dbraw/zinc/51/42/01/590514201.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C\CCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000878167685 590514202 /nfs/dbraw/zinc/51/42/02/590514202.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C\CCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167685 590514203 /nfs/dbraw/zinc/51/42/03/590514203.db2.gz XTAQYJGBDQPQLC-AFNCTOJWSA-N 1 3 222.376 2.392 20 0 BEADHO CSC[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000127337327 590623789 /nfs/dbraw/zinc/62/37/89/590623789.db2.gz ZEOFZEXEBFIPGS-QNWHQSFQSA-N 1 3 242.432 2.248 20 0 BEADHO CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879574350 590813328 /nfs/dbraw/zinc/81/33/28/590813328.db2.gz ZSYTXABKIQGRQV-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879574350 590813331 /nfs/dbraw/zinc/81/33/31/590813331.db2.gz ZSYTXABKIQGRQV-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258907 590978611 /nfs/dbraw/zinc/97/86/11/590978611.db2.gz DTDKOFKGIJKAIV-STQMWFEESA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@H](C)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258907 590978614 /nfs/dbraw/zinc/97/86/14/590978614.db2.gz DTDKOFKGIJKAIV-STQMWFEESA-N 1 3 233.359 2.391 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCCC(C)(C)O1 ZINC000883430426 591652257 /nfs/dbraw/zinc/65/22/57/591652257.db2.gz VEVRHXQGZUIWJW-NWDGAFQWSA-N 1 3 242.407 2.297 20 0 BEADHO [NH3+]C[C@H]1CCCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883416017 591652696 /nfs/dbraw/zinc/65/26/96/591652696.db2.gz JWNBXQTZFQLHBA-VXGBXAGGSA-N 1 3 246.345 2.483 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCCC(C)(C)O1 ZINC000883430428 591652785 /nfs/dbraw/zinc/65/27/85/591652785.db2.gz VEVRHXQGZUIWJW-VXGBXAGGSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H]1CN(CC[C@H]2CCCC2(F)F)CC[C@@H]1[NH3+] ZINC000883417809 591654007 /nfs/dbraw/zinc/65/40/07/591654007.db2.gz NSFKDSANWZQVLX-UTUOFQBUSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883424100 591658978 /nfs/dbraw/zinc/65/89/78/591658978.db2.gz GBEXPGHCUCBGQQ-SDDRHHMPSA-N 1 3 246.345 2.481 20 0 BEADHO CC1(C)CCC[C@H](CN[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000883434599 591664119 /nfs/dbraw/zinc/66/41/19/591664119.db2.gz WNJHFIHXTBHZCH-JHJVBQTASA-N 1 3 240.391 2.194 20 0 BEADHO Cc1ccc(OCC[NH2+][C@H]2C[C@H](N)C2(C)C)cc1 ZINC000883442069 591669601 /nfs/dbraw/zinc/66/96/01/591669601.db2.gz DKGDNWPDNJEPRN-KBPBESRZSA-N 1 3 248.370 2.089 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCNC1)C2 ZINC000132241970 591695755 /nfs/dbraw/zinc/69/57/55/591695755.db2.gz KUATWQTZEKAICM-XJKSGUPXSA-N 1 3 244.382 2.133 20 0 BEADHO CC1([NH+]2CCCC2)CCC(NCCF)CC1 ZINC000886604826 592272034 /nfs/dbraw/zinc/27/20/34/592272034.db2.gz DEBAXPHSJITABQ-UHFFFAOYSA-N 1 3 228.355 2.343 20 0 BEADHO CCSCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870342 592375738 /nfs/dbraw/zinc/37/57/38/592375738.db2.gz WMBVOCPCBCELKP-ZDUSSCGKSA-N 1 3 242.432 2.205 20 0 BEADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC1CC1 ZINC000887132916 592448518 /nfs/dbraw/zinc/44/85/18/592448518.db2.gz QAVYXJWFYXUYSB-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CC1 ZINC000887132916 592448522 /nfs/dbraw/zinc/44/85/22/592448522.db2.gz QAVYXJWFYXUYSB-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CC1 ZINC000887132916 592448526 /nfs/dbraw/zinc/44/85/26/592448526.db2.gz QAVYXJWFYXUYSB-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCC1 ZINC000887132841 592449796 /nfs/dbraw/zinc/44/97/96/592449796.db2.gz OKITZONQYXIDDT-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CCC1 ZINC000887132841 592449801 /nfs/dbraw/zinc/44/98/01/592449801.db2.gz OKITZONQYXIDDT-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO CCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130848 592449864 /nfs/dbraw/zinc/44/98/64/592449864.db2.gz LRPCIFLAXJDBNT-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887130848 592449869 /nfs/dbraw/zinc/44/98/69/592449869.db2.gz LRPCIFLAXJDBNT-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887130848 592449874 /nfs/dbraw/zinc/44/98/74/592449874.db2.gz LRPCIFLAXJDBNT-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CCNCC1 ZINC001246079541 987372650 /nfs/dbraw/zinc/37/26/50/987372650.db2.gz QCNZGDNLLULSLJ-SNVBAGLBSA-N 1 3 230.421 2.248 20 0 BEADHO C1[C@H]2CC[C@@H]([NH2+][C@H]3CCNC34CCC4)C[C@@H]12 ZINC000925713489 634417714 /nfs/dbraw/zinc/41/77/14/634417714.db2.gz UDGLUPLZZVQYMY-LPWJVIDDSA-N 1 3 220.360 2.049 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732456 634573786 /nfs/dbraw/zinc/57/37/86/634573786.db2.gz BEGUKURZNOSUFY-CHWSQXEVSA-N 1 3 222.376 2.284 20 0 BEADHO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000226076521 635421177 /nfs/dbraw/zinc/42/11/77/635421177.db2.gz PDQFXLZQKGGREX-GLQYFDAESA-N 1 3 248.370 2.128 20 0 BEADHO CCc1cnc(CNCCCCCC[NH3+])s1 ZINC000234145766 635549545 /nfs/dbraw/zinc/54/95/45/635549545.db2.gz DLBJEDUIGTVUNG-UHFFFAOYSA-N 1 3 241.404 2.314 20 0 BEADHO COC[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000925874406 635596437 /nfs/dbraw/zinc/59/64/37/635596437.db2.gz RKCNJGZZEZPBHY-IHRRRGAJSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H](CNC[C@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000062078934 631646626 /nfs/dbraw/zinc/64/66/26/631646626.db2.gz FYJRGXBPNXZONH-ZIAGYGMSSA-N 1 3 238.375 2.001 20 0 BEADHO C[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)C(C)(C)C ZINC000308839015 631678057 /nfs/dbraw/zinc/67/80/57/631678057.db2.gz XUZNTULKTWUHMB-RYUDHWBXSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H](C[N@H+]1CCC[C@@H](CN)C1)C(C)(C)C ZINC000308839015 631678063 /nfs/dbraw/zinc/67/80/63/631678063.db2.gz XUZNTULKTWUHMB-RYUDHWBXSA-N 1 3 212.381 2.339 20 0 BEADHO CCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000308890425 631714998 /nfs/dbraw/zinc/71/49/98/631714998.db2.gz XWVIZZMDRKBCKP-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO CCC[C@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755500 632565119 /nfs/dbraw/zinc/56/51/19/632565119.db2.gz LUXODJLMFNOTAY-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755500 632565115 /nfs/dbraw/zinc/56/51/15/632565115.db2.gz LUXODJLMFNOTAY-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1C[NH3+] ZINC000095917470 632726426 /nfs/dbraw/zinc/72/64/26/632726426.db2.gz FKMJKEQHUVZBJG-TZMCWYRMSA-N 1 3 218.344 2.103 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CCN1 ZINC000235451393 632743116 /nfs/dbraw/zinc/74/31/16/632743116.db2.gz NYPFZJFPGKJMLM-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@]1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCCNC1 ZINC000310555055 632756582 /nfs/dbraw/zinc/75/65/82/632756582.db2.gz HUZBXPHKSZYJRG-ZNMIVQPWSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCCNC1 ZINC000310555055 632756585 /nfs/dbraw/zinc/75/65/85/632756585.db2.gz HUZBXPHKSZYJRG-ZNMIVQPWSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)CC1CC[NH+](CC(C)(C)N)CC1 ZINC000309452274 633084969 /nfs/dbraw/zinc/08/49/69/633084969.db2.gz MVFMFDKGCLLRHP-UHFFFAOYSA-N 1 3 212.381 2.482 20 0 BEADHO COCc1cccc(CNCCC(C)(C)[NH3+])c1 ZINC000310179335 636005589 /nfs/dbraw/zinc/00/55/89/636005589.db2.gz WMMASMXKWHSKBT-UHFFFAOYSA-N 1 3 236.359 2.050 20 0 BEADHO C[C@H](CC[NH2+]C1CC(CF)(CF)C1)N(C)C ZINC000895292240 636131473 /nfs/dbraw/zinc/13/14/73/636131473.db2.gz NVJDFJMHTBPHJT-SNVBAGLBSA-N 1 3 234.334 2.004 20 0 BEADHO C[C@@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCC1 ZINC000328549084 633773415 /nfs/dbraw/zinc/77/34/15/633773415.db2.gz QSSOWMZTGZBOHQ-KJCZUFAUSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCC1 ZINC000328549081 633774123 /nfs/dbraw/zinc/77/41/23/633774123.db2.gz QSSOWMZTGZBOHQ-BBAYZTIDSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@H]1C ZINC000328558579 633775747 /nfs/dbraw/zinc/77/57/47/633775747.db2.gz CSLWPJKATYPEHG-VSPOPZGASA-N 1 3 248.414 2.397 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C2CC2)CC1 ZINC000925613492 634154233 /nfs/dbraw/zinc/15/42/33/634154233.db2.gz RTWYTWOUKRSKAR-ONXXMXGDSA-N 1 3 234.387 2.106 20 0 BEADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925764977 635170060 /nfs/dbraw/zinc/17/00/60/635170060.db2.gz LDESUPJCBZRINP-IGQOVBAYSA-N 1 3 234.387 2.439 20 0 BEADHO CCCN1CCC([NH2+]C/C=C\Cl)CC1 ZINC000308426524 635563484 /nfs/dbraw/zinc/56/34/84/635563484.db2.gz XVEVPLROFPOFCI-UTCJRWHESA-N 1 3 216.756 2.203 20 0 BEADHO COC[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000925874429 635596094 /nfs/dbraw/zinc/59/60/94/635596094.db2.gz RKCNJGZZEZPBHY-MJBXVCDLSA-N 1 3 242.407 2.025 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000086402137 636887363 /nfs/dbraw/zinc/88/73/63/636887363.db2.gz YESDVVAXAQIFGE-ZIAGYGMSSA-N 1 3 218.344 2.355 20 0 BEADHO CSCC(C)(C)NC[C@@H]([NH3+])CC(C)C ZINC000904476273 637425977 /nfs/dbraw/zinc/42/59/77/637425977.db2.gz PGGCPJKWAOYKRO-JTQLQIEISA-N 1 3 218.410 2.091 20 0 BEADHO CC(C)(CN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906518305 638188620 /nfs/dbraw/zinc/18/86/20/638188620.db2.gz VOYXNYFXWHDYLH-JOCQHMNTSA-N 1 3 218.344 2.044 20 0 BEADHO CC(C)(C[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906518305 638188622 /nfs/dbraw/zinc/18/86/22/638188622.db2.gz VOYXNYFXWHDYLH-JOCQHMNTSA-N 1 3 218.344 2.044 20 0 BEADHO CCCC[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000906534119 638201560 /nfs/dbraw/zinc/20/15/60/638201560.db2.gz OOEBJPMDUYZGLU-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](C1CC1)[NH+]1CCC(C)(N(C)C)CC1 ZINC000931355015 640168405 /nfs/dbraw/zinc/16/84/05/640168405.db2.gz NXQUKTRGANMKIK-LLVKDONJSA-N 1 3 210.365 2.201 20 0 BEADHO C[C@H](C1CC1)N1CCC(C)([NH+](C)C)CC1 ZINC000931355015 640168409 /nfs/dbraw/zinc/16/84/09/640168409.db2.gz NXQUKTRGANMKIK-LLVKDONJSA-N 1 3 210.365 2.201 20 0 BEADHO CN(C)C1(C)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000931354101 640168359 /nfs/dbraw/zinc/16/83/59/640168359.db2.gz JRJNGDFGRYQZRO-BTTYYORXSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000931764334 640356779 /nfs/dbraw/zinc/35/67/79/640356779.db2.gz PTIKMRHNJDXJOM-OLZOCXBDSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000931764334 640356782 /nfs/dbraw/zinc/35/67/82/640356782.db2.gz PTIKMRHNJDXJOM-OLZOCXBDSA-N 1 3 245.370 2.391 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000165423951 640576355 /nfs/dbraw/zinc/57/63/55/640576355.db2.gz ROIGIPYHLYMMKM-CHWSQXEVSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H](C[NH2+]C1CCSCC1)CN1CCCC1 ZINC000057994430 640659512 /nfs/dbraw/zinc/65/95/12/640659512.db2.gz BXDDLXYFJXXKSU-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO NC1CC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000087651573 640957240 /nfs/dbraw/zinc/95/72/40/640957240.db2.gz UXARPYILYBLTDX-RJQCTPFPSA-N 1 3 236.281 2.187 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1CC1)CN1CCCC1 ZINC000062077354 641017830 /nfs/dbraw/zinc/01/78/30/641017830.db2.gz IADIBYAEKCXQIV-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO C[N@H+](C[C@@]1(C)CCCNC1)C1CCCC1 ZINC000062861915 641100734 /nfs/dbraw/zinc/10/07/34/641100734.db2.gz XLABPQBFVKBUHS-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](C[C@@]1(C)CCCNC1)C1CCCC1 ZINC000062861915 641100736 /nfs/dbraw/zinc/10/07/36/641100736.db2.gz XLABPQBFVKBUHS-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H](Cc1cccnc1)[NH2+]CC[C@@H]1CCCN1C ZINC000934233018 641109708 /nfs/dbraw/zinc/10/97/08/641109708.db2.gz HNJYTATYGRGVSK-HIFRSBDPSA-N 1 3 247.386 2.087 20 0 BEADHO Cl/C=C/CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200092 641146448 /nfs/dbraw/zinc/14/64/48/641146448.db2.gz IFEJWLIIBVHAGW-RDNKVPPGSA-N 1 3 228.767 2.203 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000934621000 641218117 /nfs/dbraw/zinc/21/81/17/641218117.db2.gz OHEBBIPKJBGJQK-MGPQQGTHSA-N 1 3 222.376 2.415 20 0 BEADHO CC1(C[NH2+]C[C@]2(C)CCCNC2)CCC1 ZINC000232915192 642301550 /nfs/dbraw/zinc/30/15/50/642301550.db2.gz BPJKYWHHAFEPOH-CYBMUJFWSA-N 1 3 210.365 2.156 20 0 BEADHO C(CNC1CC1)C[NH+](CC1CC1)CC1CC1 ZINC000070064173 642416306 /nfs/dbraw/zinc/41/63/06/642416306.db2.gz LZZWEFYUPNVNQZ-UHFFFAOYSA-N 1 3 222.376 2.251 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN(CC)C1 ZINC000093066494 642455543 /nfs/dbraw/zinc/45/55/43/642455543.db2.gz KBXRDTDIEWVEPK-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CCCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000233042195 642647047 /nfs/dbraw/zinc/64/70/47/642647047.db2.gz IWCWAIAYNGSNEK-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO CCO[C@H]1C[C@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000233758867 642691896 /nfs/dbraw/zinc/69/18/96/642691896.db2.gz KRWKKMIULPQXPY-RYUDHWBXSA-N 1 3 242.407 2.297 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)NCc1ncc[nH]1 ZINC000049714544 643219972 /nfs/dbraw/zinc/21/99/72/643219972.db2.gz MTMLPZAROAEYDS-LBPRGKRZSA-N 1 3 238.379 2.010 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@H+](CCCNC2CC2)C1 ZINC000084046558 643643367 /nfs/dbraw/zinc/64/33/67/643643367.db2.gz MXNKIBCQPHNFAG-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@@H+](CCCNC2CC2)C1 ZINC000084046558 643643374 /nfs/dbraw/zinc/64/33/74/643643374.db2.gz MXNKIBCQPHNFAG-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@H](C)N(CCC[NH2+]C2CC2)C1 ZINC000084046558 643643378 /nfs/dbraw/zinc/64/33/78/643643378.db2.gz MXNKIBCQPHNFAG-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216793 643649904 /nfs/dbraw/zinc/64/99/04/643649904.db2.gz XNDMLUZBOMACPW-FVCCEPFGSA-N 1 3 210.365 2.282 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000084217157 643649960 /nfs/dbraw/zinc/64/99/60/643649960.db2.gz RBKJUNLGYOPURY-RWMBFGLXSA-N 1 3 208.349 2.202 20 0 BEADHO C(NC1CCCCC1)[C@H]1CCCCC[NH2+]1 ZINC000081003210 644302461 /nfs/dbraw/zinc/30/24/61/644302461.db2.gz XETVQFNBPHODBU-CYBMUJFWSA-N 1 3 210.365 2.441 20 0 BEADHO CCCCCC[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923280368 644313414 /nfs/dbraw/zinc/31/34/14/644313414.db2.gz XXYSSBZAICTRBA-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCCC[C@H](O)C[N@H+](C)C1CCNCC1 ZINC000923280368 644313416 /nfs/dbraw/zinc/31/34/16/644313416.db2.gz XXYSSBZAICTRBA-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCCC[C@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923280368 644313419 /nfs/dbraw/zinc/31/34/19/644313419.db2.gz XXYSSBZAICTRBA-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000084215368 644419606 /nfs/dbraw/zinc/41/96/06/644419606.db2.gz UZWDNUCEGSYSIH-YPMHNXCESA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518952 644483808 /nfs/dbraw/zinc/48/38/08/644483808.db2.gz HIWPOJOMFQZTPR-CBBWQLFWSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518952 644483812 /nfs/dbraw/zinc/48/38/12/644483812.db2.gz HIWPOJOMFQZTPR-CBBWQLFWSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H](Cc1ccco1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250981187 644788412 /nfs/dbraw/zinc/78/84/12/644788412.db2.gz IXQPFNUDQZJJIQ-MCIONIFRSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccco1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250981187 644788418 /nfs/dbraw/zinc/78/84/18/644788418.db2.gz IXQPFNUDQZJJIQ-MCIONIFRSA-N 1 3 248.370 2.427 20 0 BEADHO C([NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000925535040 646321773 /nfs/dbraw/zinc/32/17/73/646321773.db2.gz BBCVLLJUXFRRNN-UONOGXRCSA-N 1 3 222.376 2.154 20 0 BEADHO CC1CC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925574333 646342562 /nfs/dbraw/zinc/34/25/62/646342562.db2.gz ANDINMXUFFHFEZ-JCXRDGCHSA-N 1 3 222.376 2.151 20 0 BEADHO CC(C)CSCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925626334 646371079 /nfs/dbraw/zinc/37/10/79/646371079.db2.gz QAWCZNNFAGVOFF-OLZOCXBDSA-N 1 3 244.448 2.496 20 0 BEADHO CC(C)CSCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925626333 646371494 /nfs/dbraw/zinc/37/14/94/646371494.db2.gz QAWCZNNFAGVOFF-CHWSQXEVSA-N 1 3 244.448 2.496 20 0 BEADHO FC1(F)CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925629711 646374136 /nfs/dbraw/zinc/37/41/36/646374136.db2.gz NDAFWEKVSAICHH-NSHDSACASA-N 1 3 244.329 2.439 20 0 BEADHO CS[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000925637742 646379585 /nfs/dbraw/zinc/37/95/85/646379585.db2.gz QWPBZPVLUFSIRP-QJPTWQEYSA-N 1 3 244.448 2.494 20 0 BEADHO CC1(CC[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925653195 646392494 /nfs/dbraw/zinc/39/24/94/646392494.db2.gz KCWQTJBOXOWZOQ-LLVKDONJSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H](F)CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925678178 646406628 /nfs/dbraw/zinc/40/66/28/646406628.db2.gz SJWZGBOLSZQDON-YUTCNCBUSA-N 1 3 242.382 2.492 20 0 BEADHO Cc1ccncc1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689368 646415369 /nfs/dbraw/zinc/41/53/69/646415369.db2.gz IESRDSOOINPOQO-KGLIPLIRSA-N 1 3 247.386 2.386 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)C1(F)F ZINC000925706542 646430648 /nfs/dbraw/zinc/43/06/48/646430648.db2.gz LLTUUONSHAUPFU-LPEHRKFASA-N 1 3 244.329 2.137 20 0 BEADHO CC1(C)[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1(F)F ZINC000925706542 646430651 /nfs/dbraw/zinc/43/06/51/646430651.db2.gz LLTUUONSHAUPFU-LPEHRKFASA-N 1 3 244.329 2.137 20 0 BEADHO C/C=C/CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925720118 646443734 /nfs/dbraw/zinc/44/37/34/646443734.db2.gz WPZIOCUAPOHMQF-AZBIDPCXSA-N 1 3 222.376 2.320 20 0 BEADHO C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC12CC2 ZINC000925719851 646444771 /nfs/dbraw/zinc/44/47/71/646444771.db2.gz VCOAQCMNTCYTKY-STQMWFEESA-N 1 3 234.387 2.441 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCCC12CC2 ZINC000925719851 646444777 /nfs/dbraw/zinc/44/47/77/646444777.db2.gz VCOAQCMNTCYTKY-STQMWFEESA-N 1 3 234.387 2.441 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC=CC1 ZINC000925724155 646450367 /nfs/dbraw/zinc/45/03/67/646450367.db2.gz WHORBUCOUHJHGE-RDBSUJKOSA-N 1 3 234.387 2.319 20 0 BEADHO C[C@H](NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925771310 646471435 /nfs/dbraw/zinc/47/14/35/646471435.db2.gz ATAGNTRXLCHCLL-MNQBEEPXSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1NC1[C@H](C)CCC[C@H]1C ZINC000925786108 646482376 /nfs/dbraw/zinc/48/23/76/646482376.db2.gz NYILBJNHHPPZDD-DDHJBXDOSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000925786108 646482379 /nfs/dbraw/zinc/48/23/79/646482379.db2.gz NYILBJNHHPPZDD-DDHJBXDOSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CCS1 ZINC000925855537 646510743 /nfs/dbraw/zinc/51/07/43/646510743.db2.gz CQBYPLJGHDSAMS-KKOKHZNYSA-N 1 3 228.405 2.001 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925882232 646530765 /nfs/dbraw/zinc/53/07/65/646530765.db2.gz ZWOBYHKENVCJPI-MQYQWHSLSA-N 1 3 222.376 2.284 20 0 BEADHO C1=CCCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925880996 646531111 /nfs/dbraw/zinc/53/11/11/646531111.db2.gz PJPMUJOBKYOXRL-GVRJEKJASA-N 1 3 246.398 2.319 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)CN(C)C ZINC000926474043 646653321 /nfs/dbraw/zinc/65/33/21/646653321.db2.gz NQAKDHNFRMIUOQ-IGQOVBAYSA-N 1 3 222.376 2.128 20 0 BEADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714375219 712484447 /nfs/dbraw/zinc/48/44/47/712484447.db2.gz SEHQGDIAUYSEIS-JSGCOSHPSA-N 1 3 240.391 2.005 20 0 BEADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000718774408 712782257 /nfs/dbraw/zinc/78/22/57/712782257.db2.gz HUVLAJXYBAHQLK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000718845831 712786058 /nfs/dbraw/zinc/78/60/58/712786058.db2.gz XJVJNUBIDHMDND-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000719375880 712807128 /nfs/dbraw/zinc/80/71/28/712807128.db2.gz ICJJBQHLXTUZHK-RXGFPQBGSA-N 1 3 210.365 2.009 20 0 BEADHO C1=CC[C@@H]2C[N@@H+](CCCNC3CC3)C[C@@H]2C1 ZINC000381614858 710661837 /nfs/dbraw/zinc/66/18/37/710661837.db2.gz URVWAQSHSTWCON-BETUJISGSA-N 1 3 220.360 2.027 20 0 BEADHO C1=CC[C@@H]2C[N@H+](CCCNC3CC3)C[C@@H]2C1 ZINC000381614858 710661845 /nfs/dbraw/zinc/66/18/45/710661845.db2.gz URVWAQSHSTWCON-BETUJISGSA-N 1 3 220.360 2.027 20 0 BEADHO CCO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000721238856 712900117 /nfs/dbraw/zinc/90/01/17/712900117.db2.gz LPLHYJAVYKNRPS-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@]1(C[N@@H+]2CCC3(CCC3)C2)CCCNC1 ZINC000380534488 712901228 /nfs/dbraw/zinc/90/12/28/712901228.db2.gz NAWZWCAYTRBMFD-CYBMUJFWSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@@]1(C[N@H+]2CCC3(CCC3)C2)CCCNC1 ZINC000380534488 712901229 /nfs/dbraw/zinc/90/12/29/712901229.db2.gz NAWZWCAYTRBMFD-CYBMUJFWSA-N 1 3 222.376 2.252 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000723122323 710726420 /nfs/dbraw/zinc/72/64/20/710726420.db2.gz OPFPFUQLTAPWHT-RNJOBUHISA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000723122323 710726425 /nfs/dbraw/zinc/72/64/25/710726425.db2.gz OPFPFUQLTAPWHT-RNJOBUHISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H](CC(C)(C)C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000384575866 710994398 /nfs/dbraw/zinc/99/43/98/710994398.db2.gz VYLJMQVGKONMCA-QQOHENMQSA-N 1 3 236.403 2.397 20 0 BEADHO C1[NH2+][C@H]2[C@H](N[C@H]3CC4CCC3CC4)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000385593119 711015677 /nfs/dbraw/zinc/01/56/77/711015677.db2.gz JCMODDPLYCWOHJ-BDGSTAKVSA-N 1 3 246.398 2.151 20 0 BEADHO C1[NH2+][C@@H]2[C@H](N[C@H]3CC4CCC3CC4)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000385593122 711016679 /nfs/dbraw/zinc/01/66/79/711016679.db2.gz JCMODDPLYCWOHJ-HOMYALTASA-N 1 3 246.398 2.151 20 0 BEADHO CC(C)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC000387393611 711042244 /nfs/dbraw/zinc/04/22/44/711042244.db2.gz JQXJFRRZVIKDGB-ZZXKWVIFSA-N 1 3 216.756 2.201 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000389618887 711083905 /nfs/dbraw/zinc/08/39/05/711083905.db2.gz HVAMZKZPMZIBPM-NDBYEHHHSA-N 1 3 210.365 2.247 20 0 BEADHO CCc1ccccc1C[NH2+][C@H]1CCCN[C@@H]1C ZINC000396567800 711354482 /nfs/dbraw/zinc/35/44/82/711354482.db2.gz WLGMVDJZOVRJFG-DOMZBBRYSA-N 1 3 232.371 2.479 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@]1(C)CCCS1 ZINC000396601524 711358517 /nfs/dbraw/zinc/35/85/17/711358517.db2.gz XPNMONIIVIRJJS-QJPTWQEYSA-N 1 3 228.405 2.002 20 0 BEADHO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCNC1CC1 ZINC000399137197 711420717 /nfs/dbraw/zinc/42/07/17/711420717.db2.gz XPEFBDVWXYJPFC-YPMHNXCESA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]1C[C@@H](C)C[N@H+]1CCCNC1CC1 ZINC000399137197 711420720 /nfs/dbraw/zinc/42/07/20/711420720.db2.gz XPEFBDVWXYJPFC-YPMHNXCESA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCNC1CC1 ZINC000383629485 710985055 /nfs/dbraw/zinc/98/50/55/710985055.db2.gz VPBUXESKMDTAMC-WCQYABFASA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCNC1CC1 ZINC000383629485 710985052 /nfs/dbraw/zinc/98/50/52/710985052.db2.gz VPBUXESKMDTAMC-WCQYABFASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCCC2CC2)C1 ZINC000394570133 711195326 /nfs/dbraw/zinc/19/53/26/711195326.db2.gz PQGKZNXIUAZUQK-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570133 711195328 /nfs/dbraw/zinc/19/53/28/711195328.db2.gz PQGKZNXIUAZUQK-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)(C)SCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000397464887 711382690 /nfs/dbraw/zinc/38/26/90/711382690.db2.gz SOXAYDYSDRGWOW-MNOVXSKESA-N 1 3 230.421 2.235 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CCCC2CC2)C[C@@H]1CN ZINC000397476383 711384380 /nfs/dbraw/zinc/38/43/80/711384380.db2.gz HFQJAQPCDHNTBE-DYEKYZERSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC2)C[C@@H]1CN ZINC000397476383 711384381 /nfs/dbraw/zinc/38/43/81/711384381.db2.gz HFQJAQPCDHNTBE-DYEKYZERSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000383185657 711457411 /nfs/dbraw/zinc/45/74/11/711457411.db2.gz QSOQZMLDXXMURQ-NNWKIESISA-N 1 3 234.387 2.151 20 0 BEADHO CO[C@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000382366502 711503499 /nfs/dbraw/zinc/50/34/99/711503499.db2.gz XZADMMOQHNPRKP-DZGCQCFKSA-N 1 3 248.370 2.045 20 0 BEADHO C[C@@H](NCCC1CC=CC1)[C@@H]1CCCC[NH2+]1 ZINC000724202162 711569604 /nfs/dbraw/zinc/56/96/04/711569604.db2.gz KHSIIVFFKPGGOB-OCCSQVGLSA-N 1 3 222.376 2.463 20 0 BEADHO C1CC12CCC[C@@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000925723946 711727115 /nfs/dbraw/zinc/72/71/15/711727115.db2.gz FQVDVSMJRHRJCV-NWDGAFQWSA-N 1 3 220.360 2.193 20 0 BEADHO C[C@@]1(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCCNC1 ZINC000382942933 711834564 /nfs/dbraw/zinc/83/45/64/711834564.db2.gz JOESDMIVUSTGTC-QLFBSQMISA-N 1 3 234.387 2.274 20 0 BEADHO C[C@@]1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCCNC1 ZINC000382942933 711834565 /nfs/dbraw/zinc/83/45/65/711834565.db2.gz JOESDMIVUSTGTC-QLFBSQMISA-N 1 3 234.387 2.274 20 0 BEADHO CSC(C)(C)CC[NH2+]CC[C@@H](C)N(C)C ZINC000700476522 711994285 /nfs/dbraw/zinc/99/42/85/711994285.db2.gz HGKOOIHSDGNNOP-LLVKDONJSA-N 1 3 232.437 2.448 20 0 BEADHO CC[C@H](CC(F)F)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702049315 712037236 /nfs/dbraw/zinc/03/72/36/712037236.db2.gz PDCCVHOSZDDIIM-NTZNESFSSA-N 1 3 246.345 2.209 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000702253980 712041435 /nfs/dbraw/zinc/04/14/35/712041435.db2.gz BGIQPIHZUGOVRB-WDEREUQCSA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000702253980 712041437 /nfs/dbraw/zinc/04/14/37/712041437.db2.gz BGIQPIHZUGOVRB-WDEREUQCSA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@H+]1CC[C@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000702253980 712041440 /nfs/dbraw/zinc/04/14/40/712041440.db2.gz BGIQPIHZUGOVRB-WDEREUQCSA-N 1 3 230.783 2.078 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C2(Cl)CC2)C1 ZINC000702253976 712041890 /nfs/dbraw/zinc/04/18/90/712041890.db2.gz BGIQPIHZUGOVRB-QWRGUYRKSA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000702253976 712041891 /nfs/dbraw/zinc/04/18/91/712041891.db2.gz BGIQPIHZUGOVRB-QWRGUYRKSA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000702253976 712041892 /nfs/dbraw/zinc/04/18/92/712041892.db2.gz BGIQPIHZUGOVRB-QWRGUYRKSA-N 1 3 230.783 2.078 20 0 BEADHO FC1(F)CCCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000705778103 712137163 /nfs/dbraw/zinc/13/71/63/712137163.db2.gz IESPMSQIPFJEIO-LBPRGKRZSA-N 1 3 246.345 2.497 20 0 BEADHO CC1(C)CC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000706525882 712149108 /nfs/dbraw/zinc/14/91/08/712149108.db2.gz PRVULDUNIZVYQY-YHQUGGNUSA-N 1 3 234.387 2.009 20 0 BEADHO CCC[C@H]1CN(CCCCCC[NH3+])CCO1 ZINC000708921878 712203373 /nfs/dbraw/zinc/20/33/73/712203373.db2.gz HNJGAYJXDVKMET-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO Cc1noc(C)c1CN(C)CCCCCC[NH3+] ZINC000710715076 712255330 /nfs/dbraw/zinc/25/53/30/712255330.db2.gz YBPVZGJUUINVON-UHFFFAOYSA-N 1 3 239.363 2.242 20 0 BEADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545345 712387482 /nfs/dbraw/zinc/38/74/82/712387482.db2.gz YOWUKECNSUZYDY-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)CCS1 ZINC000379545345 712387484 /nfs/dbraw/zinc/38/74/84/712387484.db2.gz YOWUKECNSUZYDY-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)CCS1 ZINC000379545345 712387485 /nfs/dbraw/zinc/38/74/85/712387485.db2.gz YOWUKECNSUZYDY-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000388705660 712389681 /nfs/dbraw/zinc/38/96/81/712389681.db2.gz LKYAGSQPTOILSM-XDSHMYFISA-N 1 3 248.414 2.399 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000379780120 712398925 /nfs/dbraw/zinc/39/89/25/712398925.db2.gz BVGPYLXRIIYPNG-AGIUHOORSA-N 1 3 210.365 2.105 20 0 BEADHO CC(C)(C[NH3+])C1CCN(Cc2cccnc2)CC1 ZINC000714454732 712490302 /nfs/dbraw/zinc/49/03/02/712490302.db2.gz IBTJRHAVYNPZRO-UHFFFAOYSA-N 1 3 247.386 2.279 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714932529 712500285 /nfs/dbraw/zinc/50/02/85/712500285.db2.gz PVSLYSYNIYFFQU-YUELXQCFSA-N 1 3 236.403 2.354 20 0 BEADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000714850223 712501691 /nfs/dbraw/zinc/50/16/91/712501691.db2.gz MUVCARPJCXKQSI-ILXRZTDVSA-N 1 3 234.387 2.108 20 0 BEADHO C[C@H](Cc1ccco1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036993738 712528731 /nfs/dbraw/zinc/52/87/31/712528731.db2.gz MRJOUFIMPYYTRA-RLAWYHOSSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@H](Cc1ccco1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036993738 712528733 /nfs/dbraw/zinc/52/87/33/712528733.db2.gz MRJOUFIMPYYTRA-RLAWYHOSSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CS1 ZINC000715572724 712529408 /nfs/dbraw/zinc/52/94/08/712529408.db2.gz MVADITPXZXVCFP-NDBYEHHHSA-N 1 3 242.432 2.343 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)c2ccccc21 ZINC000380030303 712683534 /nfs/dbraw/zinc/68/35/34/712683534.db2.gz YVCMSVADYWBNMR-DFBGVHRSSA-N 1 3 244.338 2.414 20 0 BEADHO CC(F)(F)CCC[N@@H+]1CCNCCC1(C)C ZINC000718611419 712772923 /nfs/dbraw/zinc/77/29/23/712772923.db2.gz MFCNWNGZZLVZBM-UHFFFAOYSA-N 1 3 234.334 2.496 20 0 BEADHO CC(F)(F)CCC[N@H+]1CCNCCC1(C)C ZINC000718611419 712772926 /nfs/dbraw/zinc/77/29/26/712772926.db2.gz MFCNWNGZZLVZBM-UHFFFAOYSA-N 1 3 234.334 2.496 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCC(C)(F)F)C1 ZINC000718710783 712778352 /nfs/dbraw/zinc/77/83/52/712778352.db2.gz XXMGTYVCLJURJV-WDEREUQCSA-N 1 3 234.334 2.481 20 0 BEADHO CCCCCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720809507 712867164 /nfs/dbraw/zinc/86/71/64/712867164.db2.gz ZVYWWTYZEJTZFG-ZJUUUORDSA-N 1 3 238.297 2.246 20 0 BEADHO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000721169348 712894282 /nfs/dbraw/zinc/89/42/82/712894282.db2.gz VUBCFCHTTMXQQO-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]1CC[C@H](NCC2CC(C)(C)C2)C[NH2+]1 ZINC000706558959 957975081 /nfs/dbraw/zinc/97/50/81/957975081.db2.gz DPUVXSNWBROHCR-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCOCCN1CCCC[C@@H]1CC[NH3+] ZINC000082594412 958497088 /nfs/dbraw/zinc/49/70/88/958497088.db2.gz VBEHNUCSYRUUFS-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCC(F)(F)C2)C12CCC2 ZINC000695112742 960106623 /nfs/dbraw/zinc/10/66/23/960106623.db2.gz MFHFMFWVCAXKOR-AXFHLTTASA-N 1 3 244.329 2.424 20 0 BEADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654755 960329163 /nfs/dbraw/zinc/32/91/63/960329163.db2.gz JGADJIDWGKDPFY-QWRGUYRKSA-N 1 3 242.794 2.220 20 0 BEADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654755 960329178 /nfs/dbraw/zinc/32/91/78/960329178.db2.gz JGADJIDWGKDPFY-QWRGUYRKSA-N 1 3 242.794 2.220 20 0 BEADHO C[C@@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675185 960346300 /nfs/dbraw/zinc/34/63/00/960346300.db2.gz RZULGRPPQJXESS-MXWKQRLJSA-N 1 3 230.783 2.219 20 0 BEADHO C[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675185 960346315 /nfs/dbraw/zinc/34/63/15/960346315.db2.gz RZULGRPPQJXESS-MXWKQRLJSA-N 1 3 230.783 2.219 20 0 BEADHO Cc1cc(C)nc(NC[C@H]2C[NH2+][C@H](C)C2)c1 ZINC001155095995 962974389 /nfs/dbraw/zinc/97/43/89/962974389.db2.gz WKFGADSWBSAYGK-ZYHUDNBSSA-N 1 3 219.332 2.108 20 0 BEADHO CCOC1CCC([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000691136434 965964972 /nfs/dbraw/zinc/96/49/72/965964972.db2.gz IBCFJNIERQBRAW-IYXRBSQSSA-N 1 3 242.407 2.264 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000715238073 965995201 /nfs/dbraw/zinc/99/52/01/965995201.db2.gz ZDKLQCZROABFFU-ZUWCUPBKSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H](CN1CCC[C@](C)([NH3+])CC1)C(F)(F)F ZINC001205255008 967441790 /nfs/dbraw/zinc/44/17/90/967441790.db2.gz DORUXEYVZNXBLV-ZJUUUORDSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@H]1C[NH2+]CCN(C2CCC(C)(C)CC2)C1 ZINC000079696789 1166016581 /nfs/dbraw/zinc/01/65/81/1166016581.db2.gz WGNJCBATIMTOND-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000389914036 1166053912 /nfs/dbraw/zinc/05/39/12/1166053912.db2.gz LTZJUFCOZNCNAV-AVGNSLFASA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H](CN)C[N@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000082832690 1166079948 /nfs/dbraw/zinc/07/99/48/1166079948.db2.gz ICDZGGUMPGGCAR-UTUOFQBUSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000082832690 1166079959 /nfs/dbraw/zinc/07/99/59/1166079959.db2.gz ICDZGGUMPGGCAR-UTUOFQBUSA-N 1 3 212.381 2.338 20 0 BEADHO C[NH+](C)CC(C)(C)CN1CCC(CF)CC1 ZINC001207285763 968717301 /nfs/dbraw/zinc/71/73/01/968717301.db2.gz NXEPRHDZRFMRJR-UHFFFAOYSA-N 1 3 230.371 2.256 20 0 BEADHO C[NH+]1CCC(CCN2CCC[C@@H](F)C2)CC1 ZINC001207482364 968798476 /nfs/dbraw/zinc/79/84/76/968798476.db2.gz BOQFVOGEOYWDMG-CYBMUJFWSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609276 969145885 /nfs/dbraw/zinc/14/58/85/969145885.db2.gz ZYJZLEJZRJHNIO-VXGBXAGGSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609276 969145893 /nfs/dbraw/zinc/14/58/93/969145893.db2.gz ZYJZLEJZRJHNIO-VXGBXAGGSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1[C@@H](C)[N@@H+](CCCNC2CC2)C[C@H]1C ZINC000399667438 1166250941 /nfs/dbraw/zinc/25/09/41/1166250941.db2.gz MRNMZDUNXGKPEF-IJLUTSLNSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H]1[C@@H](C)[N@H+](CCCNC2CC2)C[C@H]1C ZINC000399667438 1166250947 /nfs/dbraw/zinc/25/09/47/1166250947.db2.gz MRNMZDUNXGKPEF-IJLUTSLNSA-N 1 3 210.365 2.105 20 0 BEADHO CC(C)CCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208736470 969228641 /nfs/dbraw/zinc/22/86/41/969228641.db2.gz HBVDCFOLWXMNHB-ZIAGYGMSSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)CCCN)CC(C)(C)C1 ZINC000227741928 1166307395 /nfs/dbraw/zinc/30/73/95/1166307395.db2.gz JKIWMZIRWASWGS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)CCCN)CC(C)(C)C1 ZINC000227741928 1166307404 /nfs/dbraw/zinc/30/74/04/1166307404.db2.gz JKIWMZIRWASWGS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C/C(=C\C=C\N)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001167624667 1166313249 /nfs/dbraw/zinc/31/32/49/1166313249.db2.gz DGOYMHADTGURHW-JMFBPXTISA-N 1 3 237.391 2.343 20 0 BEADHO CC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC000252935578 1166427745 /nfs/dbraw/zinc/42/77/45/1166427745.db2.gz FMAHAOQRSOBZIB-UPJWGTAASA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC000252935578 1166427748 /nfs/dbraw/zinc/42/77/48/1166427748.db2.gz FMAHAOQRSOBZIB-UPJWGTAASA-N 1 3 210.365 2.391 20 0 BEADHO C([C@H]1CCCCN1)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000250808625 1166432080 /nfs/dbraw/zinc/43/20/80/1166432080.db2.gz CYKPDYNGQBVWRG-MGPQQGTHSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@H]1CCCCN1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000250808625 1166432086 /nfs/dbraw/zinc/43/20/86/1166432086.db2.gz CYKPDYNGQBVWRG-MGPQQGTHSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)[C@H](C)C1 ZINC000252961214 1166461027 /nfs/dbraw/zinc/46/10/27/1166461027.db2.gz VELJTGIBRWVDFS-YVECIDJPSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)[C@H](C)C1 ZINC000252961214 1166461031 /nfs/dbraw/zinc/46/10/31/1166461031.db2.gz VELJTGIBRWVDFS-YVECIDJPSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)[C@@H](C)C1 ZINC000252961213 1166461204 /nfs/dbraw/zinc/46/12/04/1166461204.db2.gz VELJTGIBRWVDFS-FVCCEPFGSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)[C@@H](C)C1 ZINC000252961213 1166461209 /nfs/dbraw/zinc/46/12/09/1166461209.db2.gz VELJTGIBRWVDFS-FVCCEPFGSA-N 1 3 210.365 2.247 20 0 BEADHO NC[C@H]1CCCC[N@@H+](C2CCCCC2)C1 ZINC000215782001 1166486883 /nfs/dbraw/zinc/48/68/83/1166486883.db2.gz YXCAXRCDVGQBGZ-GFCCVEGCSA-N 1 3 210.365 2.380 20 0 BEADHO NC[C@H]1CCCC[N@H+](C2CCCCC2)C1 ZINC000215782001 1166486891 /nfs/dbraw/zinc/48/68/91/1166486891.db2.gz YXCAXRCDVGQBGZ-GFCCVEGCSA-N 1 3 210.365 2.380 20 0 BEADHO C1CC[C@H]2[C@H](C1)CCCN2[C@@H]1CCC[NH2+]C1 ZINC000036827155 1166498038 /nfs/dbraw/zinc/49/80/38/1166498038.db2.gz HBTGAYJPEGRVRI-MCIONIFRSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CC[NH+](C)C)N[C@@H](C)C1(Cl)CC1 ZINC000695665915 1166663213 /nfs/dbraw/zinc/66/32/13/1166663213.db2.gz FFLQEXAOHNDWED-ZJUUUORDSA-N 1 3 218.772 2.076 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCC(F)(F)F)CCN1 ZINC000709317849 1166692015 /nfs/dbraw/zinc/69/20/15/1166692015.db2.gz HKOODRKZLQFAAN-BDAKNGLRSA-N 1 3 224.270 2.059 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC000252965021 1166760646 /nfs/dbraw/zinc/76/06/46/1166760646.db2.gz WWQYFFWTGKXLIQ-FRRDWIJNSA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC000252965021 1166760654 /nfs/dbraw/zinc/76/06/54/1166760654.db2.gz WWQYFFWTGKXLIQ-FRRDWIJNSA-N 1 3 210.365 2.247 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCCSC ZINC001255942086 970574874 /nfs/dbraw/zinc/57/48/74/970574874.db2.gz DFGYABGJJJNZAC-GFCCVEGCSA-N 1 3 232.437 2.450 20 0 BEADHO CCCC[NH2+][C@@H](C)CCN(CC)CC ZINC001255941917 970577775 /nfs/dbraw/zinc/57/77/75/970577775.db2.gz ZLIHBLQLAYTQQZ-LBPRGKRZSA-N 1 3 200.370 2.497 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)C(C)(C)O ZINC001255953893 970587558 /nfs/dbraw/zinc/58/75/58/970587558.db2.gz QMYWMRCJIPSQGE-LBPRGKRZSA-N 1 3 244.423 2.246 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000925786881 1166835867 /nfs/dbraw/zinc/83/58/67/1166835867.db2.gz QIDPAMYBIJQVHF-JHJVBQTASA-N 1 3 210.365 2.319 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](CC)CC(C)(C)O ZINC001255968497 970601659 /nfs/dbraw/zinc/60/16/59/970601659.db2.gz ZUPBQIAOFHAHTO-ZDUSSCGKSA-N 1 3 244.423 2.200 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](CC)CC(C)(C)O ZINC001255968497 970601662 /nfs/dbraw/zinc/60/16/62/970601662.db2.gz ZUPBQIAOFHAHTO-ZDUSSCGKSA-N 1 3 244.423 2.200 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318479 1166911878 /nfs/dbraw/zinc/91/18/78/1166911878.db2.gz BWBHUZCCDWLWFP-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318479 1166911887 /nfs/dbraw/zinc/91/18/87/1166911887.db2.gz BWBHUZCCDWLWFP-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CCC(CC)[NH+]1CCN(c2ccncc2)CC1 ZINC000197109919 1166954072 /nfs/dbraw/zinc/95/40/72/1166954072.db2.gz UQALVBPSAWYXSV-UHFFFAOYSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[NH+]1CCC(N[C@H]2CO[C@H](C)C2)CC1 ZINC000401965171 970755958 /nfs/dbraw/zinc/75/59/58/970755958.db2.gz DGXWBQAENHEHDK-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO C1CCC2(C1)CC[N@@H+]([C@H]1CCCNC1)C2 ZINC000308955098 1167227963 /nfs/dbraw/zinc/22/79/63/1167227963.db2.gz YDUWCYWSKGBPRB-LBPRGKRZSA-N 1 3 208.349 2.005 20 0 BEADHO C1CCC2(C1)CC[N@H+]([C@H]1CCCNC1)C2 ZINC000308955098 1167227970 /nfs/dbraw/zinc/22/79/70/1167227970.db2.gz YDUWCYWSKGBPRB-LBPRGKRZSA-N 1 3 208.349 2.005 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC000225342397 1167439632 /nfs/dbraw/zinc/43/96/32/1167439632.db2.gz ILTCSGLOPJDUCO-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC000225342397 1167439638 /nfs/dbraw/zinc/43/96/38/1167439638.db2.gz ILTCSGLOPJDUCO-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](CC[NH2+]C[C@@]1(C)CCCS1)N(C)C ZINC000697886548 1167554438 /nfs/dbraw/zinc/55/44/38/1167554438.db2.gz IAPDAYUWPUOLLJ-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H](CN)C[N@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252098653 1167626458 /nfs/dbraw/zinc/62/64/58/1167626458.db2.gz ICDZGGUMPGGCAR-QNWHQSFQSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252098653 1167626464 /nfs/dbraw/zinc/62/64/64/1167626464.db2.gz ICDZGGUMPGGCAR-QNWHQSFQSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@@H]2C)CCN1 ZINC000229546108 1167773015 /nfs/dbraw/zinc/77/30/15/1167773015.db2.gz BFFRSWMZRDXURF-NDBYEHHHSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)CCN1 ZINC000229546108 1167773025 /nfs/dbraw/zinc/77/30/25/1167773025.db2.gz BFFRSWMZRDXURF-NDBYEHHHSA-N 1 3 210.365 2.247 20 0 BEADHO CO[C@H]1CCC[C@@H]([N@H+](CCCN)C(C)C)C1 ZINC000069846605 978762706 /nfs/dbraw/zinc/76/27/06/978762706.db2.gz FCPFWIUHKPLWFT-OLZOCXBDSA-N 1 3 228.380 2.003 20 0 BEADHO CO[C@H]1CCC[C@@H]([N@@H+](CCCN)C(C)C)C1 ZINC000069846605 978762713 /nfs/dbraw/zinc/76/27/13/978762713.db2.gz FCPFWIUHKPLWFT-OLZOCXBDSA-N 1 3 228.380 2.003 20 0 BEADHO CCc1cccc(C)c1CN(C)CCC[NH3+] ZINC001235435124 979047111 /nfs/dbraw/zinc/04/71/11/979047111.db2.gz APMBJXNAAPQJQQ-UHFFFAOYSA-N 1 3 220.360 2.338 20 0 BEADHO CC1(CN2C[C@H]3CC[C@@]3([NH3+])C2)CCCCC1 ZINC001235981994 979261254 /nfs/dbraw/zinc/26/12/54/979261254.db2.gz ZUAJVVIGKRLKEA-TZMCWYRMSA-N 1 3 222.376 2.380 20 0 BEADHO CCC1CCC([N@@H+]2C[C@@H]3CCNC[C@H]3C2)CC1 ZINC000310528328 1168239601 /nfs/dbraw/zinc/23/96/01/1168239601.db2.gz NMNBTCYWFBRTIS-GQKFXUNGSA-N 1 3 236.403 2.497 20 0 BEADHO CCC1CCC([N@H+]2C[C@@H]3CCNC[C@H]3C2)CC1 ZINC000310528328 1168239609 /nfs/dbraw/zinc/23/96/09/1168239609.db2.gz NMNBTCYWFBRTIS-GQKFXUNGSA-N 1 3 236.403 2.497 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345104695 980549741 /nfs/dbraw/zinc/54/97/41/980549741.db2.gz NGFKINKJKMANLE-AWEZNQCLSA-N 1 3 218.344 2.002 20 0 BEADHO CCC[C@H](C)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201553978 983309410 /nfs/dbraw/zinc/30/94/10/983309410.db2.gz RNCFYXCJBIRXEI-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[C@@H](O)CNCCC[N@@H+]1CCCC[C@@H]1C ZINC001252799431 983895319 /nfs/dbraw/zinc/89/53/19/983895319.db2.gz RUVOTADGHHSVMH-UONOGXRCSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@@H](O)CNCCC[N@H+]1CCCC[C@@H]1C ZINC001252799431 983895321 /nfs/dbraw/zinc/89/53/21/983895321.db2.gz RUVOTADGHHSVMH-UONOGXRCSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@@H](O)C[NH2+]CCCN1CCCC[C@@H]1C ZINC001252799431 983895323 /nfs/dbraw/zinc/89/53/23/983895323.db2.gz RUVOTADGHHSVMH-UONOGXRCSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@H](O)CNCCC[N@@H+]1CCCC[C@H]1C ZINC001252799430 983896195 /nfs/dbraw/zinc/89/61/95/983896195.db2.gz RUVOTADGHHSVMH-KGLIPLIRSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@H](O)CNCCC[N@H+]1CCCC[C@H]1C ZINC001252799430 983896198 /nfs/dbraw/zinc/89/61/98/983896198.db2.gz RUVOTADGHHSVMH-KGLIPLIRSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@H](O)C[NH2+]CCCN1CCCC[C@H]1C ZINC001252799430 983896205 /nfs/dbraw/zinc/89/62/05/983896205.db2.gz RUVOTADGHHSVMH-KGLIPLIRSA-N 1 3 242.407 2.002 20 0 BEADHO CCOC1CCC([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000691136433 1169290438 /nfs/dbraw/zinc/29/04/38/1169290438.db2.gz IBCFJNIERQBRAW-HSBZDZAISA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)OCC[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001172440655 974799194 /nfs/dbraw/zinc/79/91/94/974799194.db2.gz IHOPEHQWXLYPJK-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)OCC[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001172447474 974810006 /nfs/dbraw/zinc/81/00/06/974810006.db2.gz IHOPEHQWXLYPJK-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CC2(CNC2)C1 ZINC001246616108 973035678 /nfs/dbraw/zinc/03/56/78/973035678.db2.gz YDNAESMJCWAJDZ-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO NC[C@H]1CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000402202319 970767713 /nfs/dbraw/zinc/76/77/13/970767713.db2.gz FFNWMHXUHCUFJO-UONOGXRCSA-N 1 3 222.376 2.404 20 0 BEADHO NC[C@H]1CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000402202319 970767724 /nfs/dbraw/zinc/76/77/24/970767724.db2.gz FFNWMHXUHCUFJO-UONOGXRCSA-N 1 3 222.376 2.404 20 0 BEADHO C[C@@H](Cc1ccccn1)[NH2+]C(C)(C)C(C)(C)N ZINC001256406089 970812059 /nfs/dbraw/zinc/81/20/59/970812059.db2.gz SGHSNAFMLKXLCN-NSHDSACASA-N 1 3 235.375 2.118 20 0 BEADHO C[C@@H](Cc1ccccn1)NC(C)(C)C(C)(C)[NH3+] ZINC001256406089 970812064 /nfs/dbraw/zinc/81/20/64/970812064.db2.gz SGHSNAFMLKXLCN-NSHDSACASA-N 1 3 235.375 2.118 20 0 BEADHO CCC[C@H](C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403136477 970884011 /nfs/dbraw/zinc/88/40/11/970884011.db2.gz BWWZNONVSCAWDX-QWRGUYRKSA-N 1 3 234.334 2.339 20 0 BEADHO [NH3+]C[C@@H]1CN(CC2CCCC2)CCC1(F)F ZINC000403199491 970891847 /nfs/dbraw/zinc/89/18/47/970891847.db2.gz ZFGVHFLDKSCUBY-LLVKDONJSA-N 1 3 232.318 2.093 20 0 BEADHO CC(C)(C)CCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403181268 970892847 /nfs/dbraw/zinc/89/28/47/970892847.db2.gz RBRZIEFQBIOASZ-JTQLQIEISA-N 1 3 234.334 2.339 20 0 BEADHO CC(C)(C)CCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403181269 970894580 /nfs/dbraw/zinc/89/45/80/970894580.db2.gz RBRZIEFQBIOASZ-SNVBAGLBSA-N 1 3 234.334 2.339 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403392291 970929926 /nfs/dbraw/zinc/92/99/26/970929926.db2.gz QPXARSHGXNAMCL-AELAOQJQSA-N 1 3 246.398 2.009 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403392307 970928791 /nfs/dbraw/zinc/92/87/91/970928791.db2.gz QPXARSHGXNAMCL-TVOASGPGSA-N 1 3 246.398 2.009 20 0 BEADHO CC(C)(C[NH3+])N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787706 970986813 /nfs/dbraw/zinc/98/68/13/970986813.db2.gz WQHMXFWNNFIMJG-KBPBESRZSA-N 1 3 248.370 2.234 20 0 BEADHO C[NH2+]Cc1cccc(Nc2cnc(C)n2C)c1F ZINC001216223236 970995060 /nfs/dbraw/zinc/99/50/60/970995060.db2.gz NPIJYUFTBNTWRT-UHFFFAOYSA-N 1 3 248.305 2.331 20 0 BEADHO F[C@@H]1CCN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256856558 970995589 /nfs/dbraw/zinc/99/55/89/970995589.db2.gz JVOWZIQOWXXCLO-GFCCVEGCSA-N 1 3 249.333 2.094 20 0 BEADHO CC[C@H]1CN(CCCCCC[NH3+])[C@@H](C)CO1 ZINC000403862639 971072927 /nfs/dbraw/zinc/07/29/27/971072927.db2.gz WJLPSIAEFMPDGK-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO CC[C@H]1CN(CCCCCC[NH3+])[C@H](C)CO1 ZINC000403862636 971075873 /nfs/dbraw/zinc/07/58/73/971075873.db2.gz WJLPSIAEFMPDGK-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405209860 971209599 /nfs/dbraw/zinc/20/95/99/971209599.db2.gz CCOAXHPZXYYHES-NEPJUHHUSA-N 1 3 242.432 2.235 20 0 BEADHO CC(C)CSCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405209860 971209611 /nfs/dbraw/zinc/20/96/11/971209611.db2.gz CCOAXHPZXYYHES-NEPJUHHUSA-N 1 3 242.432 2.235 20 0 BEADHO CC(C)(C)SCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405199784 971209753 /nfs/dbraw/zinc/20/97/53/971209753.db2.gz CGQAGQHMYKJZHW-QWRGUYRKSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)(C)SCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405199784 971209761 /nfs/dbraw/zinc/20/97/61/971209761.db2.gz CGQAGQHMYKJZHW-QWRGUYRKSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)(C)SCC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405199783 971210741 /nfs/dbraw/zinc/21/07/41/971210741.db2.gz CGQAGQHMYKJZHW-MNOVXSKESA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)(C)SCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405199783 971210747 /nfs/dbraw/zinc/21/07/47/971210747.db2.gz CGQAGQHMYKJZHW-MNOVXSKESA-N 1 3 242.432 2.378 20 0 BEADHO [NH3+][C@H]1C[C@H](NC2Cc3ccccc3C2)C12CCC2 ZINC000405238169 971216652 /nfs/dbraw/zinc/21/66/52/971216652.db2.gz GFEBWCCTDGOVFR-GJZGRUSLSA-N 1 3 242.366 2.013 20 0 BEADHO Cc1ccccc1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405261109 971220933 /nfs/dbraw/zinc/22/09/33/971220933.db2.gz OUNQRHCUZLAVBK-HUUCEWRRSA-N 1 3 244.382 2.397 20 0 BEADHO Cc1cccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000405277426 971225676 /nfs/dbraw/zinc/22/56/76/971225676.db2.gz XSQZRAUPZPFBKA-GJZGRUSLSA-N 1 3 244.382 2.397 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCCc2cccs2)C12CCC2 ZINC000405261659 971228484 /nfs/dbraw/zinc/22/84/84/971228484.db2.gz NLNSWSUMSVFBSK-NWDGAFQWSA-N 1 3 236.384 2.150 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@](C)(N)C1)c1ccccc1 ZINC000405734530 971300715 /nfs/dbraw/zinc/30/07/15/971300715.db2.gz ACHMGDPWSKJXAF-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@](C)(N)C1)c1ccccc1 ZINC000405734530 971300720 /nfs/dbraw/zinc/30/07/20/971300720.db2.gz ACHMGDPWSKJXAF-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@]1(N)CC[N@H+](CCCCc2ccccc2)C1 ZINC000405837389 971310321 /nfs/dbraw/zinc/31/03/21/971310321.db2.gz QFONQDRYEUHTRB-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@]1(N)CC[N@@H+](CCCCc2ccccc2)C1 ZINC000405837389 971310328 /nfs/dbraw/zinc/31/03/28/971310328.db2.gz QFONQDRYEUHTRB-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCCSC1 ZINC001257676556 971479134 /nfs/dbraw/zinc/47/91/34/971479134.db2.gz DDRKUOCLIKVRAF-CYBMUJFWSA-N 1 3 242.432 2.300 20 0 BEADHO C[C@@H](Oc1cccc2c1CNC2)C1CC[NH2+]CC1 ZINC001218005594 971570102 /nfs/dbraw/zinc/57/01/02/971570102.db2.gz KNOCALRIYYIRRW-LLVKDONJSA-N 1 3 246.354 2.057 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H](F)C1)C2 ZINC001172121439 974387619 /nfs/dbraw/zinc/38/76/19/974387619.db2.gz QNZIPAAUMNJECI-RVMXOQNASA-N 1 3 226.339 2.046 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H](F)C1)C2 ZINC001172121439 974387623 /nfs/dbraw/zinc/38/76/23/974387623.db2.gz QNZIPAAUMNJECI-RVMXOQNASA-N 1 3 226.339 2.046 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218316059 971703760 /nfs/dbraw/zinc/70/37/60/971703760.db2.gz OMDXSYTZIQKTLB-AWEZNQCLSA-N 1 3 246.354 2.057 20 0 BEADHO COc1ccccc1CN1CCCC[C@H](C[NH3+])C1 ZINC000311002589 971990542 /nfs/dbraw/zinc/99/05/42/971990542.db2.gz IQFIFEVQOFPCKT-CYBMUJFWSA-N 1 3 248.370 2.256 20 0 BEADHO N[C@@H](CCC[NH3+])Nc1cccc2c1CCCC2 ZINC001170900434 972066363 /nfs/dbraw/zinc/06/63/63/972066363.db2.gz UCBOHPYHESHRGY-CQSZACIVSA-N 1 3 233.359 2.001 20 0 BEADHO Cc1ccc(Cl)c(C)c1N[C@@H](N)CCC[NH3+] ZINC001170902516 972077910 /nfs/dbraw/zinc/07/79/10/972077910.db2.gz FJURYPLHLZUUHU-LLVKDONJSA-N 1 3 241.766 2.392 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC(C)(C)C1 ZINC001246145938 972193925 /nfs/dbraw/zinc/19/39/25/972193925.db2.gz GFYFXSDTJBDMMA-RGDJUOJXSA-N 1 3 236.403 2.399 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CCC[C@H](C(F)F)C2)C1 ZINC001208612795 957099061 /nfs/dbraw/zinc/09/90/61/957099061.db2.gz NZDJGQOJYFIZRE-RYUDHWBXSA-N 1 3 246.345 2.305 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CCC[C@H](C(F)F)C2)C1 ZINC001208612795 957099071 /nfs/dbraw/zinc/09/90/71/957099071.db2.gz NZDJGQOJYFIZRE-RYUDHWBXSA-N 1 3 246.345 2.305 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C[C@H]2C[C@H]2C)CC1 ZINC001209429315 957452255 /nfs/dbraw/zinc/45/22/55/957452255.db2.gz WJXYCNAGTDYTIF-TZMCWYRMSA-N 1 3 245.370 2.168 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC001209429314 957453571 /nfs/dbraw/zinc/45/35/71/957453571.db2.gz WJXYCNAGTDYTIF-OCCSQVGLSA-N 1 3 245.370 2.168 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC001209429310 957455384 /nfs/dbraw/zinc/45/53/84/957455384.db2.gz WJXYCNAGTDYTIF-GXTWGEPZSA-N 1 3 245.370 2.168 20 0 BEADHO C[C@H](COc1ccccc1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001246330162 972293694 /nfs/dbraw/zinc/29/36/94/972293694.db2.gz VIBAUWQBPMLJGY-MCIONIFRSA-N 1 3 248.370 2.184 20 0 BEADHO Cc1ccc(C[C@H](C)NC[C@H]([NH3+])C(C)C)cc1 ZINC001246333506 972295909 /nfs/dbraw/zinc/29/59/09/972295909.db2.gz RABNKXOZUHFBTK-ZFWWWQNUSA-N 1 3 234.387 2.499 20 0 BEADHO c1ccc2c(c1)CC[C@@H](CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246397897 972310867 /nfs/dbraw/zinc/31/08/67/972310867.db2.gz UQFOYCUPFLFKKB-CZUORRHYSA-N 1 3 244.382 2.133 20 0 BEADHO CC1(C)CCC[C@@H]([NH2+][C@H]2C[C@@](C)(N)C2)C1 ZINC001246466009 972341033 /nfs/dbraw/zinc/34/10/33/972341033.db2.gz UTQVHDDLLZGIFM-WZRBSPASSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCNC1)c1cccc(N(C)C)c1 ZINC001246468935 972348627 /nfs/dbraw/zinc/34/86/27/972348627.db2.gz MPPMIYMXAOSVIK-GXTWGEPZSA-N 1 3 247.386 2.155 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC000707627661 958635397 /nfs/dbraw/zinc/63/53/97/958635397.db2.gz RRRVYQWPEYYIDB-NWDGAFQWSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CCC23CCCC3)CCN1 ZINC000707627661 958635406 /nfs/dbraw/zinc/63/54/06/958635406.db2.gz RRRVYQWPEYYIDB-NWDGAFQWSA-N 1 3 208.349 2.145 20 0 BEADHO C1CC2(CCCCC2)[N@@H+]1[C@H]1CCCNC1 ZINC000707663842 958657872 /nfs/dbraw/zinc/65/78/72/958657872.db2.gz XWYVEYQQTVJFGR-LBPRGKRZSA-N 1 3 208.349 2.147 20 0 BEADHO C1CC2(CCCCC2)[N@H+]1[C@H]1CCCNC1 ZINC000707663842 958657883 /nfs/dbraw/zinc/65/78/83/958657883.db2.gz XWYVEYQQTVJFGR-LBPRGKRZSA-N 1 3 208.349 2.147 20 0 BEADHO CSCC[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000707909438 958812827 /nfs/dbraw/zinc/81/28/27/958812827.db2.gz HXMJSQJESRDPSZ-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO COC(C)(C)CC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222236884 972417829 /nfs/dbraw/zinc/41/78/29/972417829.db2.gz CMZOMXREEGATKU-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO COC(C)(C)CC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222236884 972417836 /nfs/dbraw/zinc/41/78/36/972417836.db2.gz CMZOMXREEGATKU-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCCC[C@H](CN)C1 ZINC000308799152 959502339 /nfs/dbraw/zinc/50/23/39/959502339.db2.gz DFKZPGBYUUELOQ-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCCC[C@H](CN)C1 ZINC000308799152 959502323 /nfs/dbraw/zinc/50/23/23/959502323.db2.gz DFKZPGBYUUELOQ-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCC[C@H]2C[C@H]21 ZINC000694274861 959816426 /nfs/dbraw/zinc/81/64/26/959816426.db2.gz ALPUVLITTNPRFG-FVEFAZKQSA-N 1 3 246.398 2.009 20 0 BEADHO CCCC(CCC)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708862419 959986609 /nfs/dbraw/zinc/98/66/09/959986609.db2.gz GLEZRHOSVTUNAS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CCCC(CCC)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708862419 959986616 /nfs/dbraw/zinc/98/66/16/959986616.db2.gz GLEZRHOSVTUNAS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@]1([NH3+])CCN(C2CCc3ccccc3CC2)C1 ZINC001246537119 972479652 /nfs/dbraw/zinc/47/96/52/972479652.db2.gz YFDFNDKBUUBYPU-MRXNPFEDSA-N 1 3 244.382 2.357 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000695635918 960310948 /nfs/dbraw/zinc/31/09/48/960310948.db2.gz DVDWPICQYNDOAZ-VXGBXAGGSA-N 1 3 244.810 2.468 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000695635918 960310950 /nfs/dbraw/zinc/31/09/50/960310950.db2.gz DVDWPICQYNDOAZ-VXGBXAGGSA-N 1 3 244.810 2.468 20 0 BEADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675192 960345099 /nfs/dbraw/zinc/34/50/99/960345099.db2.gz RZULGRPPQJXESS-VWYCJHECSA-N 1 3 230.783 2.219 20 0 BEADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675192 960345110 /nfs/dbraw/zinc/34/51/10/960345110.db2.gz RZULGRPPQJXESS-VWYCJHECSA-N 1 3 230.783 2.219 20 0 BEADHO C1CC12CCC[C@H](N[C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)C2 ZINC000695700214 960382878 /nfs/dbraw/zinc/38/28/78/960382878.db2.gz MFUYDCITWRGZLE-PMKSJIGOSA-N 1 3 246.398 2.295 20 0 BEADHO N=CNc1cc[nH+]c(N2CCCCC2)c1 ZINC001167869142 961369391 /nfs/dbraw/zinc/36/93/91/961369391.db2.gz SUFRMSQNNDWOAE-UHFFFAOYSA-N 1 3 204.277 2.091 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167914956 961839395 /nfs/dbraw/zinc/83/93/95/961839395.db2.gz ZDKLQCZROABFFU-MEBFFEOJSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([NH+]2CCN(c3ccncc3)CC2)C1 ZINC000092874346 961898176 /nfs/dbraw/zinc/89/81/76/961898176.db2.gz HMADQCBECSBUIZ-HIFRSBDPSA-N 1 3 245.370 2.392 20 0 BEADHO Cc1ccc(CN2CCCC[C@@H](C[NH3+])C2)c(C)n1 ZINC001206631880 962122428 /nfs/dbraw/zinc/12/24/28/962122428.db2.gz BWVPQMKGLSCCGO-AWEZNQCLSA-N 1 3 247.386 2.259 20 0 BEADHO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)cc(C)n1 ZINC001206632865 962143439 /nfs/dbraw/zinc/14/34/39/962143439.db2.gz PJJSYOFMUBBCGL-CQSZACIVSA-N 1 3 247.386 2.259 20 0 BEADHO CCC1(Nc2cc3[nH]ccc3c(C)n2)C[NH2+]C1 ZINC001157784509 963725825 /nfs/dbraw/zinc/72/58/25/963725825.db2.gz FARPHHURSYTFCR-UHFFFAOYSA-N 1 3 230.315 2.035 20 0 BEADHO Nc1ccnc(-n2ccc3cccc(C[NH3+])c32)c1 ZINC001160454335 964303305 /nfs/dbraw/zinc/30/33/05/964303305.db2.gz XDIZZJQEXDMJPG-UHFFFAOYSA-N 1 3 238.294 2.066 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N(C)C ZINC000697869831 964595014 /nfs/dbraw/zinc/59/50/14/964595014.db2.gz IXSHDOMEIHBGTQ-QNWHQSFQSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H](CC[NH2+]CCC(C)(C)C)N(C)C ZINC000697870465 964595832 /nfs/dbraw/zinc/59/58/32/964595832.db2.gz LOBOEMVOVBBKPZ-NSHDSACASA-N 1 3 200.370 2.352 20 0 BEADHO CCC[C@@H](C)C[NH2+]CC[C@H](C)N(C)C ZINC000697871971 964599448 /nfs/dbraw/zinc/59/94/48/964599448.db2.gz QGNXHFGYLYAAOF-NEPJUHHUSA-N 1 3 200.370 2.352 20 0 BEADHO Cc1c2[nH]cnc2ccc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162678129 965108500 /nfs/dbraw/zinc/10/85/00/965108500.db2.gz XJXKYUPQPBJCMY-MWLCHTKSSA-N 1 3 230.315 2.034 20 0 BEADHO Cc1cc(O)cc(C)c1CN1CCC[C@H]([NH3+])CC1 ZINC001205102895 965805033 /nfs/dbraw/zinc/80/50/33/965805033.db2.gz VUSDNDJPJBRPOZ-ZDUSSCGKSA-N 1 3 248.370 2.322 20 0 BEADHO COc1ccc(CN2CCC[C@@H]([NH3+])CC2)c(C)c1 ZINC001205109696 965827749 /nfs/dbraw/zinc/82/77/49/965827749.db2.gz JLCMMIJMZAXLED-CQSZACIVSA-N 1 3 248.370 2.317 20 0 BEADHO CN(CCCCCC[NH3+])Cc1cncs1 ZINC000400364807 965948271 /nfs/dbraw/zinc/94/82/71/965948271.db2.gz PINFLLLRSWICMF-UHFFFAOYSA-N 1 3 227.377 2.094 20 0 BEADHO C[NH+]1CCC2(CN(Cc3cccs3)C2)CC1 ZINC001204018316 966856237 /nfs/dbraw/zinc/85/62/37/966856237.db2.gz MFMYOVHQUSMWNA-UHFFFAOYSA-N 1 3 236.384 2.276 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000084127031 966929786 /nfs/dbraw/zinc/92/97/86/966929786.db2.gz IWKCFUXWOQMEID-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000084127031 966929791 /nfs/dbraw/zinc/92/97/91/966929791.db2.gz IWKCFUXWOQMEID-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH+](C)Cc1ccc(-c2ccc(CN)nc2)cc1 ZINC001204632112 967107177 /nfs/dbraw/zinc/10/71/77/967107177.db2.gz SSBFNVBQJBBNTM-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO C1=C(c2cc(N3CC[NH2+]CC3)ccn2)CCC1 ZINC001239787876 967179925 /nfs/dbraw/zinc/17/99/25/967179925.db2.gz BTEIOSXQKJHKLD-UHFFFAOYSA-N 1 3 229.327 2.059 20 0 BEADHO CNc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205123426 967369821 /nfs/dbraw/zinc/36/98/21/967369821.db2.gz AWNFMWWQLQLMPC-ZDUSSCGKSA-N 1 3 233.359 2.042 20 0 BEADHO COc1cccc(C)c1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145863 967387510 /nfs/dbraw/zinc/38/75/10/967387510.db2.gz KTZBRQKMXLZXCO-QWHCGFSZSA-N 1 3 248.370 2.030 20 0 BEADHO N[C@@H]1CC[N@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165542 968101980 /nfs/dbraw/zinc/10/19/80/968101980.db2.gz NZLBXCQVXDDXJB-GHMZBOCLSA-N 1 3 228.336 2.009 20 0 BEADHO N[C@@H]1CC[N@@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165542 968101993 /nfs/dbraw/zinc/10/19/93/968101993.db2.gz NZLBXCQVXDDXJB-GHMZBOCLSA-N 1 3 228.336 2.009 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000697869430 968143200 /nfs/dbraw/zinc/14/32/00/968143200.db2.gz GXOSROIGSOJFEE-VXGBXAGGSA-N 1 3 200.370 2.351 20 0 BEADHO Cc1ccc2c(c1)nccc2N1CC[C@@H]([NH3+])C1 ZINC001164287316 968213862 /nfs/dbraw/zinc/21/38/62/968213862.db2.gz FYVBMKZJADFGNQ-LLVKDONJSA-N 1 3 227.311 2.081 20 0 BEADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(O)cc2)C1 ZINC001206540132 968369617 /nfs/dbraw/zinc/36/96/17/968369617.db2.gz AKRXVNURBVSSSO-HNNXBMFYSA-N 1 3 248.370 2.343 20 0 BEADHO CCC(=O)C(C)(C)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606352 968414015 /nfs/dbraw/zinc/41/40/15/968414015.db2.gz LLWQSHJDIIYQMN-LBPRGKRZSA-N 1 3 240.391 2.053 20 0 BEADHO CCC(=O)C(C)(C)C[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606352 968414022 /nfs/dbraw/zinc/41/40/22/968414022.db2.gz LLWQSHJDIIYQMN-LBPRGKRZSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H](CN1CCCC[C@H](C[NH3+])C1)C(F)(F)F ZINC001206606259 968416421 /nfs/dbraw/zinc/41/64/21/968416421.db2.gz IHCKOZFZPYFVED-VHSXEESVSA-N 1 3 238.297 2.246 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCCC3)[C@H]2C1 ZINC001207843941 968899477 /nfs/dbraw/zinc/89/94/77/968899477.db2.gz JBODQXVWOWPHTJ-IHRRRGAJSA-N 1 3 236.403 2.497 20 0 BEADHO CN1CC=C(c2cccc3c2CC[NH2+]C3)CC1 ZINC001241322860 968972032 /nfs/dbraw/zinc/97/20/32/968972032.db2.gz UIDDWDJIPNOUTQ-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO CN1CC=C(c2cccc3c2C[NH2+]C3)CC1 ZINC001241327892 968979591 /nfs/dbraw/zinc/97/95/91/968979591.db2.gz UEWTYCIVYSBJGP-UHFFFAOYSA-N 1 3 214.312 2.009 20 0 BEADHO C[NH+]1CCC(C)(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001208110434 969008177 /nfs/dbraw/zinc/00/81/77/969008177.db2.gz RSPORCQFCDEAGD-RWMBFGLXSA-N 1 3 240.366 2.008 20 0 BEADHO CCC(CC)[N@H+](CC)C[C@H](O)CNC(C)(C)C ZINC001253395025 969153837 /nfs/dbraw/zinc/15/38/37/969153837.db2.gz YBDHDYZBDASNJB-CYBMUJFWSA-N 1 3 244.423 2.246 20 0 BEADHO CCC(CC)[N@@H+](CC)C[C@H](O)CNC(C)(C)C ZINC001253395025 969153842 /nfs/dbraw/zinc/15/38/42/969153842.db2.gz YBDHDYZBDASNJB-CYBMUJFWSA-N 1 3 244.423 2.246 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1F ZINC001169124317 969419410 /nfs/dbraw/zinc/41/94/10/969419410.db2.gz CABNHTQWGRCVKF-RKQHYHRCSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1F ZINC001169124317 969419418 /nfs/dbraw/zinc/41/94/18/969419418.db2.gz CABNHTQWGRCVKF-RKQHYHRCSA-N 1 3 240.366 2.292 20 0 BEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)CC1)C2 ZINC001169126243 969433158 /nfs/dbraw/zinc/43/31/58/969433158.db2.gz QNUIMNGMSDQKSB-CLLJXQQHSA-N 1 3 226.339 2.046 20 0 BEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(F)CC1)C2 ZINC001169126243 969433163 /nfs/dbraw/zinc/43/31/63/969433163.db2.gz QNUIMNGMSDQKSB-CLLJXQQHSA-N 1 3 226.339 2.046 20 0 BEADHO CC[NH+]1CCC(N[C@H](C)c2ccc(N)cc2)CC1 ZINC001169230158 969503609 /nfs/dbraw/zinc/50/36/09/969503609.db2.gz UKVHUPMPBSGNAL-GFCCVEGCSA-N 1 3 247.386 2.404 20 0 BEADHO C[N@@H+]1CCC[C@@H](N2Cc3ccccc3C2)CC1 ZINC001254517287 969697824 /nfs/dbraw/zinc/69/78/24/969697824.db2.gz UAKUVHOZBPAMSB-OAHLLOKOSA-N 1 3 230.355 2.487 20 0 BEADHO C[N@H+]1CCC[C@@H](N2Cc3ccccc3C2)CC1 ZINC001254517287 969697831 /nfs/dbraw/zinc/69/78/31/969697831.db2.gz UAKUVHOZBPAMSB-OAHLLOKOSA-N 1 3 230.355 2.487 20 0 BEADHO C[NH2+]Cc1ccc(Nc2cnc(C)n2C)cc1 ZINC001211130533 970159435 /nfs/dbraw/zinc/15/94/35/970159435.db2.gz PZFJAJDSQFNEEE-UHFFFAOYSA-N 1 3 230.315 2.192 20 0 BEADHO CCC(CC)N1CCC([NH2+][C@H](C)COC)CC1 ZINC001255563266 970347268 /nfs/dbraw/zinc/34/72/68/970347268.db2.gz LAKHXHALVJBFJI-GFCCVEGCSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](N)c1ccn(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001255668891 970448932 /nfs/dbraw/zinc/44/89/32/970448932.db2.gz OUWSTKBOCHXQDI-ACJTYDJDSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](N)c1ccn(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255668891 970448937 /nfs/dbraw/zinc/44/89/37/970448937.db2.gz OUWSTKBOCHXQDI-ACJTYDJDSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001255841774 970510939 /nfs/dbraw/zinc/51/09/39/970510939.db2.gz KLHFRJCLWVYOIJ-DDTOSNHZSA-N 1 3 236.334 2.226 20 0 BEADHO CC[C@@H]1C[C@H]([N@H+](CCCN)C(C)C)CCO1 ZINC001170171044 970544930 /nfs/dbraw/zinc/54/49/30/970544930.db2.gz OOUKXELEWBAUAR-CHWSQXEVSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@@H]1C[C@H]([N@@H+](CCCN)C(C)C)CCO1 ZINC001170171044 970544937 /nfs/dbraw/zinc/54/49/37/970544937.db2.gz OOUKXELEWBAUAR-CHWSQXEVSA-N 1 3 228.380 2.003 20 0 BEADHO CSC[C@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000400130855 970548126 /nfs/dbraw/zinc/54/81/26/970548126.db2.gz SBEGGUXVCUMSGP-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CSC[C@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000400130855 970548145 /nfs/dbraw/zinc/54/81/45/970548145.db2.gz SBEGGUXVCUMSGP-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CSC[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000400130861 970551408 /nfs/dbraw/zinc/55/14/08/970551408.db2.gz SBEGGUXVCUMSGP-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CSC[C@@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000400130861 970551420 /nfs/dbraw/zinc/55/14/20/970551420.db2.gz SBEGGUXVCUMSGP-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)n1ccc([C@@H](C)N)n1 ZINC001255947892 970563411 /nfs/dbraw/zinc/56/34/11/970563411.db2.gz YMRWSRDRONMRPH-VXGBXAGGSA-N 1 3 238.379 2.196 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1CCO[C@@H](CC)C1 ZINC001170172491 970565901 /nfs/dbraw/zinc/56/59/01/970565901.db2.gz ZQBJNKWRRPRBPD-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1CCO[C@@H](CC)C1 ZINC001170172491 970565911 /nfs/dbraw/zinc/56/59/11/970565911.db2.gz ZQBJNKWRRPRBPD-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCCc1cccnc1 ZINC001255940851 970568654 /nfs/dbraw/zinc/56/86/54/970568654.db2.gz HLUBXVFVWRPAIB-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1cccnc1 ZINC001255940851 970568667 /nfs/dbraw/zinc/56/86/67/970568667.db2.gz HLUBXVFVWRPAIB-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCCCO1 ZINC001255944173 970577230 /nfs/dbraw/zinc/57/72/30/970577230.db2.gz SHDFOJWMFGVXQZ-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001255944173 970577243 /nfs/dbraw/zinc/57/72/43/970577243.db2.gz SHDFOJWMFGVXQZ-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@H](C)n1ccc([C@@H](C)N)n1 ZINC001255947890 970580840 /nfs/dbraw/zinc/58/08/40/970580840.db2.gz YMRWSRDRONMRPH-NWDGAFQWSA-N 1 3 238.379 2.196 20 0 BEADHO C[C@@H](Cc1ccncc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246590585 972997161 /nfs/dbraw/zinc/99/71/61/972997161.db2.gz HHTRHMIAFNEUCN-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246590585 972997179 /nfs/dbraw/zinc/99/71/79/972997179.db2.gz HHTRHMIAFNEUCN-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccncc1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246590585 972997188 /nfs/dbraw/zinc/99/71/88/972997188.db2.gz HHTRHMIAFNEUCN-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594971 973007067 /nfs/dbraw/zinc/00/70/67/973007067.db2.gz WWVVEEDDQJDVLW-XGFWRYKXSA-N 1 3 236.403 2.480 20 0 BEADHO C[C@@H]1CC[C@H](CN)C[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594971 973007083 /nfs/dbraw/zinc/00/70/83/973007083.db2.gz WWVVEEDDQJDVLW-XGFWRYKXSA-N 1 3 236.403 2.480 20 0 BEADHO C[NH2+]CC1CN([C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001246594805 973007757 /nfs/dbraw/zinc/00/77/57/973007757.db2.gz FGMMXBHXCDJCLU-YPMHNXCESA-N 1 3 224.392 2.352 20 0 BEADHO C1[C@@H]2C[C@H]([N@@H+]3CCC[C@@]34CCCNC4)C[C@H]12 ZINC001246605950 973023843 /nfs/dbraw/zinc/02/38/43/973023843.db2.gz CZAMZKQOJJLUEE-ZOBORPQBSA-N 1 3 220.360 2.003 20 0 BEADHO C1[C@@H]2C[C@H]([N@H+]3CCC[C@@]34CCCNC4)C[C@H]12 ZINC001246605950 973023859 /nfs/dbraw/zinc/02/38/59/973023859.db2.gz CZAMZKQOJJLUEE-ZOBORPQBSA-N 1 3 220.360 2.003 20 0 BEADHO COCC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246781045 973089173 /nfs/dbraw/zinc/08/91/73/973089173.db2.gz DBLNNVGKJGDULP-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246781045 973089187 /nfs/dbraw/zinc/08/91/87/973089187.db2.gz DBLNNVGKJGDULP-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246781041 973092057 /nfs/dbraw/zinc/09/20/57/973092057.db2.gz DBLNNVGKJGDULP-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246781041 973092070 /nfs/dbraw/zinc/09/20/70/973092070.db2.gz DBLNNVGKJGDULP-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CCCCC[C@H](CC)N1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246866009 973208174 /nfs/dbraw/zinc/20/81/74/973208174.db2.gz DROMRVAZDMTHJH-FRRDWIJNSA-N 1 3 210.365 2.378 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001328679729 973267032 /nfs/dbraw/zinc/26/70/32/973267032.db2.gz ABZPTGIOQRKCBP-HNNXBMFYSA-N 1 3 230.355 2.002 20 0 BEADHO C[C@@H]1CC[C@@H]([NH+]2CC3CCC(CC3)C2)CN1 ZINC001246881785 973283881 /nfs/dbraw/zinc/28/38/81/973283881.db2.gz JCNKGSVZDFHVCG-BLYZHGLHSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CCN1 ZINC000720921528 973634013 /nfs/dbraw/zinc/63/40/13/973634013.db2.gz CTDCGGVNXWTWDL-UWVGGRQHSA-N 1 3 232.318 2.152 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1CCc2c(F)cccc2C1 ZINC001171418455 974031766 /nfs/dbraw/zinc/03/17/66/974031766.db2.gz KOESYJGXJQYCFT-TUKIKUTGSA-N 1 3 248.345 2.152 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](F)C1)C2 ZINC001172120899 974389049 /nfs/dbraw/zinc/38/90/49/974389049.db2.gz GZWXUWAHQONBCM-FQUUOJAGSA-N 1 3 240.366 2.436 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](F)C1)C2 ZINC001172120899 974389058 /nfs/dbraw/zinc/38/90/58/974389058.db2.gz GZWXUWAHQONBCM-FQUUOJAGSA-N 1 3 240.366 2.436 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](F)C1)C2 ZINC001172120902 974393628 /nfs/dbraw/zinc/39/36/28/974393628.db2.gz GZWXUWAHQONBCM-YIYPIFLZSA-N 1 3 240.366 2.436 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](F)C1)C2 ZINC001172120902 974393640 /nfs/dbraw/zinc/39/36/40/974393640.db2.gz GZWXUWAHQONBCM-YIYPIFLZSA-N 1 3 240.366 2.436 20 0 BEADHO CCN(CC)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172216694 974441471 /nfs/dbraw/zinc/44/14/71/974441471.db2.gz BBYVAYFJPWRZED-AGUYFDCRSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN(CCC[NH+](C)C)[C@@H]1COC(C)(C)C1 ZINC001172295213 974563415 /nfs/dbraw/zinc/56/34/15/974563415.db2.gz QYDWJSGJXCHHNR-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC001172431217 974712194 /nfs/dbraw/zinc/71/21/94/974712194.db2.gz LEPZBKQNERROHO-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)OCC[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC001172438913 974795165 /nfs/dbraw/zinc/79/51/65/974795165.db2.gz ATOPVDBMVAYJHR-CYBMUJFWSA-N 1 3 242.407 2.216 20 0 BEADHO c1cc(CNCCC[NH+]2CCC2)n(C2CC2)c1 ZINC001331925835 974871472 /nfs/dbraw/zinc/87/14/72/974871472.db2.gz ZAIYTVPUUBYBHD-UHFFFAOYSA-N 1 3 233.359 2.008 20 0 BEADHO Cc1nc2ccc(NCC[C@@H](C)[NH3+])cc2[nH]1 ZINC000258820086 975013517 /nfs/dbraw/zinc/01/35/17/975013517.db2.gz UECYEWDUKOXWDP-MRVPVSSYSA-N 1 3 218.304 2.021 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)CSCC ZINC001173292876 975168045 /nfs/dbraw/zinc/16/80/45/975168045.db2.gz SHRNVCNJNKFZHT-NSHDSACASA-N 1 3 218.410 2.189 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)CSCC ZINC001173292876 975168054 /nfs/dbraw/zinc/16/80/54/975168054.db2.gz SHRNVCNJNKFZHT-NSHDSACASA-N 1 3 218.410 2.189 20 0 BEADHO CCCN(CCC[NH3+])[C@@H](C)CSCC ZINC001173292876 975168065 /nfs/dbraw/zinc/16/80/65/975168065.db2.gz SHRNVCNJNKFZHT-NSHDSACASA-N 1 3 218.410 2.189 20 0 BEADHO CCSC[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC001173297320 975184494 /nfs/dbraw/zinc/18/44/94/975184494.db2.gz DKXFEIAPBKVXFI-NSHDSACASA-N 1 3 230.421 2.154 20 0 BEADHO CC[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278794 975234317 /nfs/dbraw/zinc/23/43/17/975234317.db2.gz FPGXTCFGWRPXFZ-XGUBFFRZSA-N 1 3 236.403 2.449 20 0 BEADHO CC[C@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278794 975234325 /nfs/dbraw/zinc/23/43/25/975234325.db2.gz FPGXTCFGWRPXFZ-XGUBFFRZSA-N 1 3 236.403 2.449 20 0 BEADHO Cc1nc2ccc(NCC[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000259037351 975407877 /nfs/dbraw/zinc/40/78/77/975407877.db2.gz PEKHBKPEAAOLJV-LLVKDONJSA-N 1 3 244.342 2.425 20 0 BEADHO CCC[N@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232012246 977838318 /nfs/dbraw/zinc/83/83/18/977838318.db2.gz WRGUWYLKKYPAKC-UHFFFAOYSA-N 1 3 203.289 2.405 20 0 BEADHO CCC[N@@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232012246 977838320 /nfs/dbraw/zinc/83/83/20/977838320.db2.gz WRGUWYLKKYPAKC-UHFFFAOYSA-N 1 3 203.289 2.405 20 0 BEADHO C[C@H]1CC[N@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232011414 977841741 /nfs/dbraw/zinc/84/17/41/977841741.db2.gz JYWFNZXNLLYQLB-JTQLQIEISA-N 1 3 215.300 2.405 20 0 BEADHO C[C@H]1CC[N@@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232011414 977841745 /nfs/dbraw/zinc/84/17/45/977841745.db2.gz JYWFNZXNLLYQLB-JTQLQIEISA-N 1 3 215.300 2.405 20 0 BEADHO CN(C)Cc1ccccc1Nc1[nH]cc[nH+]1 ZINC001176084680 977883809 /nfs/dbraw/zinc/88/38/09/977883809.db2.gz BAAHRQJKQRALBZ-UHFFFAOYSA-N 1 3 216.288 2.215 20 0 BEADHO C[C@H](N)C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235154833 978983645 /nfs/dbraw/zinc/98/36/45/978983645.db2.gz WJJTVWZTFBFGAZ-ZDUSSCGKSA-N 1 3 244.382 2.314 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829281 979153215 /nfs/dbraw/zinc/15/32/15/979153215.db2.gz POXMSQAFALKAFC-MELADBBJSA-N 1 3 222.376 2.273 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829281 979153220 /nfs/dbraw/zinc/15/32/20/979153220.db2.gz POXMSQAFALKAFC-MELADBBJSA-N 1 3 222.376 2.273 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977516 979239215 /nfs/dbraw/zinc/23/92/15/979239215.db2.gz HCBKIKWXSQQWNU-HUUCEWRRSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977516 979239227 /nfs/dbraw/zinc/23/92/27/979239227.db2.gz HCBKIKWXSQQWNU-HUUCEWRRSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CC[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989222 979272486 /nfs/dbraw/zinc/27/24/86/979272486.db2.gz IJGGFZYPSNIDHV-HOCLYGCPSA-N 1 3 242.366 2.487 20 0 BEADHO N[C@]12CC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989222 979272498 /nfs/dbraw/zinc/27/24/98/979272498.db2.gz IJGGFZYPSNIDHV-HOCLYGCPSA-N 1 3 242.366 2.487 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236013408 979296278 /nfs/dbraw/zinc/29/62/78/979296278.db2.gz AHCRIRIUADXJGE-IGQOVBAYSA-N 1 3 220.360 2.012 20 0 BEADHO Cc1cccc(CC[N@@H+]2C[C@H](C)C[C@H](N)C2)c1 ZINC001236044582 979337170 /nfs/dbraw/zinc/33/71/70/979337170.db2.gz OLRMKALKCOACIG-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1cccc(CC[N@H+]2C[C@H](C)C[C@H](N)C2)c1 ZINC001236044582 979337186 /nfs/dbraw/zinc/33/71/86/979337186.db2.gz OLRMKALKCOACIG-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO CCc1cccc(C)c1C[N@@H+]1CC[C@@H](N)C1 ZINC001236173338 979432426 /nfs/dbraw/zinc/43/24/26/979432426.db2.gz JLLDPRCCNWCQFB-CYBMUJFWSA-N 1 3 218.344 2.090 20 0 BEADHO CCc1cccc(C)c1C[N@H+]1CC[C@@H](N)C1 ZINC001236173338 979432432 /nfs/dbraw/zinc/43/24/32/979432432.db2.gz JLLDPRCCNWCQFB-CYBMUJFWSA-N 1 3 218.344 2.090 20 0 BEADHO CC[C@@H](N)C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236335120 979535705 /nfs/dbraw/zinc/53/57/05/979535705.db2.gz GJUQLLLCDKRABZ-CQSZACIVSA-N 1 3 247.386 2.186 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691663206 980382260 /nfs/dbraw/zinc/38/22/60/980382260.db2.gz RRXRKPZOKDRZIB-SHWKFHJASA-N 1 3 236.403 2.483 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691663206 980382264 /nfs/dbraw/zinc/38/22/64/980382264.db2.gz RRXRKPZOKDRZIB-SHWKFHJASA-N 1 3 236.403 2.483 20 0 BEADHO CN1CCc2cc(C3=CCC[NH2+]CC3)ccc2C1 ZINC001238948485 980386541 /nfs/dbraw/zinc/38/65/41/980386541.db2.gz WSSKPBXEZRCQHN-UHFFFAOYSA-N 1 3 242.366 2.441 20 0 BEADHO C[NH+](C)Cc1ccccc1-c1ccnc(CN)c1 ZINC001239684853 980840484 /nfs/dbraw/zinc/84/04/84/980840484.db2.gz VDVVKWNBNBLQEQ-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO C[NH+](C)Cc1ccccc1-c1cccc(CN)n1 ZINC001239680300 980841162 /nfs/dbraw/zinc/84/11/62/980841162.db2.gz SYNCQFMSLMIPHR-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO c1cc(C2=CC[NH2+]CC2)ncc1CN1CCCC1 ZINC001240465799 981396548 /nfs/dbraw/zinc/39/65/48/981396548.db2.gz IGRPDIQLNHDDFW-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO CN1CCc2cc(C3=CCC[NH2+]C3)ccc2C1 ZINC001240668776 981577492 /nfs/dbraw/zinc/57/74/92/981577492.db2.gz AZQGCGKIEIEDGO-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO Cn1ccc2c1ccnc2C=C1CC[NH2+]CC1 ZINC001240873397 981917026 /nfs/dbraw/zinc/91/70/26/981917026.db2.gz CPROMUFIVPUWQF-UHFFFAOYSA-N 1 3 227.311 2.340 20 0 BEADHO C[C@H]([NH3+])c1ccccc1C1=CCN(C)CC1 ZINC001241330493 982490912 /nfs/dbraw/zinc/49/09/12/982490912.db2.gz SXVOFSZSEBKEQR-NSHDSACASA-N 1 3 216.328 2.425 20 0 BEADHO CN1CC=C(c2cccc3c2CC[C@@H]3[NH3+])CC1 ZINC001241330084 982492331 /nfs/dbraw/zinc/49/23/31/982492331.db2.gz IQJJZIIDMFTJJN-HNNXBMFYSA-N 1 3 228.339 2.352 20 0 BEADHO C[C@@H]([NH3+])c1ccccc1C1=CCN(C)CC1 ZINC001241333207 982501495 /nfs/dbraw/zinc/50/14/95/982501495.db2.gz SXVOFSZSEBKEQR-LLVKDONJSA-N 1 3 216.328 2.425 20 0 BEADHO C[C@@H]1NCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001354222012 983203067 /nfs/dbraw/zinc/20/30/67/983203067.db2.gz WLXKRTVGBLSDPK-BLLLJJGKSA-N 1 3 244.382 2.405 20 0 BEADHO CN1CC2(C1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201422082 983219321 /nfs/dbraw/zinc/21/93/21/983219321.db2.gz GPWCNJYIJKFTDF-AWEZNQCLSA-N 1 3 234.387 2.370 20 0 BEADHO CCCN1C[C@H]2C[NH+](CC(C)(C)C)C[C@@H]2C1 ZINC001201441373 983244957 /nfs/dbraw/zinc/24/49/57/983244957.db2.gz CSEHLXVUYCDJJD-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO CCC[NH+]1C[C@H]2CN(CC(C)(C)C)C[C@@H]2C1 ZINC001201441373 983244968 /nfs/dbraw/zinc/24/49/68/983244968.db2.gz CSEHLXVUYCDJJD-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO CCN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587734 983351890 /nfs/dbraw/zinc/35/18/90/983351890.db2.gz XFDKMCLDPCNZCF-HOTGVXAUSA-N 1 3 244.382 2.460 20 0 BEADHO CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587734 983351897 /nfs/dbraw/zinc/35/18/97/983351897.db2.gz XFDKMCLDPCNZCF-HOTGVXAUSA-N 1 3 244.382 2.460 20 0 BEADHO CCCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001201743955 983448213 /nfs/dbraw/zinc/44/82/13/983448213.db2.gz AZLAMSKOZHQDJD-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001201743955 983448222 /nfs/dbraw/zinc/44/82/22/983448222.db2.gz AZLAMSKOZHQDJD-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO C[NH2+]Cc1cccc(-c2cc(N)ccn2)c1 ZINC001242993699 984356347 /nfs/dbraw/zinc/35/63/47/984356347.db2.gz GEQVNBJVOTZHKC-UHFFFAOYSA-N 1 3 213.284 2.050 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC001580423469 984535560 /nfs/dbraw/zinc/53/55/60/984535560.db2.gz ZYFXFHFRLAGJTJ-MEBFFEOJSA-N 1 3 222.376 2.425 20 0 BEADHO C1=C(c2ccc(C3=NCCC3)cc2)C[NH2+]C1 ZINC001243109088 984562555 /nfs/dbraw/zinc/56/25/55/984562555.db2.gz SKONQTQIZZFYEM-UHFFFAOYSA-N 1 3 212.296 2.256 20 0 BEADHO CN1CCC[C@@]2(CCC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104156 984817103 /nfs/dbraw/zinc/81/71/03/984817103.db2.gz ZLPMXNOKAVTGIV-OAHLLOKOSA-N 1 3 247.386 2.323 20 0 BEADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104156 984817110 /nfs/dbraw/zinc/81/71/10/984817110.db2.gz ZLPMXNOKAVTGIV-OAHLLOKOSA-N 1 3 247.386 2.323 20 0 BEADHO C[N@H+](CCCN)[C@H]1CCC[C@H]1C(C)(C)C ZINC001578466472 985097482 /nfs/dbraw/zinc/09/74/82/985097482.db2.gz OERWNFQHXZDKSS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@@H+](CCCN)[C@H]1CCC[C@H]1C(C)(C)C ZINC001578466472 985097499 /nfs/dbraw/zinc/09/74/99/985097499.db2.gz OERWNFQHXZDKSS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000686307633 985105391 /nfs/dbraw/zinc/10/53/91/985105391.db2.gz ZAHOVVDQGWYJQX-YHQUGGNUSA-N 1 3 236.403 2.399 20 0 BEADHO CSC(C)(C)CC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000687776692 985383519 /nfs/dbraw/zinc/38/35/19/985383519.db2.gz HCVHVUUJDOSQJU-NWDGAFQWSA-N 1 3 242.432 2.202 20 0 BEADHO CSC(C)(C)CC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000687776692 985383535 /nfs/dbraw/zinc/38/35/35/985383535.db2.gz HCVHVUUJDOSQJU-NWDGAFQWSA-N 1 3 242.432 2.202 20 0 BEADHO CO[C@@]1(C)CCCN(CCC[NH2+]C2CC2)CC1 ZINC001578925085 985526070 /nfs/dbraw/zinc/52/60/70/985526070.db2.gz ZIQXLSUKPJRSHM-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@@]1(C)CCC[N@H+](CCCNC2CC2)CC1 ZINC001578925085 985526018 /nfs/dbraw/zinc/52/60/18/985526018.db2.gz ZIQXLSUKPJRSHM-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@@]1(C)CCC[N@@H+](CCCNC2CC2)CC1 ZINC001578925085 985526046 /nfs/dbraw/zinc/52/60/46/985526046.db2.gz ZIQXLSUKPJRSHM-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CSCC1(CC[NH2+]CC(C)(C)CN)CC1 ZINC001579370675 985864562 /nfs/dbraw/zinc/86/45/62/985864562.db2.gz QSKKDXRHRHQDFW-UHFFFAOYSA-N 1 3 230.421 2.094 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001202791913 986311710 /nfs/dbraw/zinc/31/17/10/986311710.db2.gz GVTMKXUVCUXMBR-OKILXGFUSA-N 1 3 222.376 2.060 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001202791913 986311720 /nfs/dbraw/zinc/31/17/20/986311720.db2.gz GVTMKXUVCUXMBR-OKILXGFUSA-N 1 3 222.376 2.060 20 0 BEADHO CCN(C)C1CC[NH+](CC2CCC2)CC1 ZINC001202793289 986312635 /nfs/dbraw/zinc/31/26/35/986312635.db2.gz VJOSQRVJKRDUOI-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH2+]Cc1cccc(-c2cccc(CN)n2)c1F ZINC001244856896 986400592 /nfs/dbraw/zinc/40/05/92/986400592.db2.gz FRNRVZASUOVZQX-UHFFFAOYSA-N 1 3 245.301 2.066 20 0 BEADHO NC1CC([NH2+]CC[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001580163777 986638210 /nfs/dbraw/zinc/63/82/10/986638210.db2.gz PDPGIHJHRITRMK-WXLSXGNJSA-N 1 3 244.382 2.335 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCN[C@@H](C)C2)cc1 ZINC001246094068 987403161 /nfs/dbraw/zinc/40/31/61/987403161.db2.gz FORSHUAZPVABPG-ZFWWWQNUSA-N 1 3 232.371 2.268 20 0 BEADHO C[C@]1([NH2+]C2CCCCCCC2)CCNC1 ZINC001246095902 987404594 /nfs/dbraw/zinc/40/45/94/987404594.db2.gz GWZAQQMIKVLJOJ-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@H]1NCC[C@H]1[NH2+]C1CCCCCCC1 ZINC001246100054 987420692 /nfs/dbraw/zinc/42/06/92/987420692.db2.gz CNTQPYKSFKFLPL-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H](Cc1ccco1)[NH2+]C[C@@H]1CC[C@@H](C)CN1 ZINC001246106234 987436874 /nfs/dbraw/zinc/43/68/74/987436874.db2.gz OQLPKGABNBPREF-AGIUHOORSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H]1CNC[C@@H]1[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246108744 987440478 /nfs/dbraw/zinc/44/04/78/987440478.db2.gz MRTLBRBZQWCLME-XQHKEYJVSA-N 1 3 224.392 2.399 20 0 BEADHO CCC1CCC([NH2+][C@@H]2CNC[C@@H]2C)CC1 ZINC001246115218 987454837 /nfs/dbraw/zinc/45/48/37/987454837.db2.gz GYCICCYRIUQONO-YWPUVAFDSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCC[C@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246128096 987479220 /nfs/dbraw/zinc/47/92/20/987479220.db2.gz DQVPHPJEXAMCEF-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](CC(C)C)[NH2+][C@@H]1CNCC12CC2 ZINC001246132903 987484825 /nfs/dbraw/zinc/48/48/25/987484825.db2.gz NGDGHAAUPZMWDP-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO C1CC12CNC[C@@H]2[NH2+]C1CCCCCC1 ZINC001246137164 987490260 /nfs/dbraw/zinc/49/02/60/987490260.db2.gz ZKOWSNMRURQFPB-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO CCCC[C@H](CCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246135956 987492050 /nfs/dbraw/zinc/49/20/50/987492050.db2.gz SZLARAMIKLBHFX-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@]23C[C@H]2CNC3)CC(C)(C)C1 ZINC001246135897 987493542 /nfs/dbraw/zinc/49/35/42/987493542.db2.gz SLTSADSSOCUXGH-CZXHOFHRSA-N 1 3 222.376 2.153 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147889 987504486 /nfs/dbraw/zinc/50/44/86/987504486.db2.gz LBHJASKSCWHGJJ-POQQGIQPSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246151079 987512968 /nfs/dbraw/zinc/51/29/68/987512968.db2.gz VXDHFRHQBWDDPM-ODXJTPSBSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)CC(CC(C)C)NC[C@H]1CC[NH2+]1 ZINC001246192244 987577347 /nfs/dbraw/zinc/57/73/47/987577347.db2.gz GTRSZNYPZKRYLT-GFCCVEGCSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2Cc3cccc(F)c3C2)C1 ZINC001246205272 987600711 /nfs/dbraw/zinc/60/07/11/987600711.db2.gz KMKDATUIJBEPIS-JHJVBQTASA-N 1 3 248.345 2.152 20 0 BEADHO CC(C)C([NH2+][C@H]1CCN[C@@H](C)C1)C(C)C ZINC001246237589 987634401 /nfs/dbraw/zinc/63/44/01/987634401.db2.gz PDQAQZMPOJCSAW-RYUDHWBXSA-N 1 3 212.381 2.397 20 0 BEADHO CC(C)C([NH2+][C@@H]1CCN[C@@H](C)C1)C(C)C ZINC001246237584 987634410 /nfs/dbraw/zinc/63/44/10/987634410.db2.gz PDQAQZMPOJCSAW-NWDGAFQWSA-N 1 3 212.381 2.397 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccccn2)CCN1 ZINC001246237235 987635778 /nfs/dbraw/zinc/63/57/78/987635778.db2.gz HEMOWHIGAUBTBO-HIFRSBDPSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccc(O)cc1 ZINC001246272962 987665188 /nfs/dbraw/zinc/66/51/88/987665188.db2.gz NCCXSMJIDDZPCC-SCRDCRAPSA-N 1 3 248.370 2.226 20 0 BEADHO CC1(C)CC(N[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC001246294490 987685658 /nfs/dbraw/zinc/68/56/58/987685658.db2.gz VUPNHWDTQILEHN-LLVKDONJSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001246313111 987716559 /nfs/dbraw/zinc/71/65/59/987716559.db2.gz JAVULLJOGVFYEL-SOUVJXGZSA-N 1 3 248.370 2.234 20 0 BEADHO FC1(F)CCC2(C[C@@H]2[NH2+]C2CCNCC2)CC1 ZINC001246386913 987780072 /nfs/dbraw/zinc/78/00/72/987780072.db2.gz PZFTYJHFYLJBAR-NSHDSACASA-N 1 3 244.329 2.296 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396418 987782104 /nfs/dbraw/zinc/78/21/04/987782104.db2.gz ZQABMZRUPMOBFC-CMPLNLGQSA-N 1 3 210.365 2.295 20 0 BEADHO CCC[C@@]1(CN[C@@H]2CC[C@H](C)C2)CC[NH2+]1 ZINC001246455679 987810049 /nfs/dbraw/zinc/81/00/49/987810049.db2.gz IZPLLNVFEAYKCO-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@](C)(N)C2)C[C@H]1C ZINC001246460737 987819464 /nfs/dbraw/zinc/81/94/64/987819464.db2.gz MUCBLPDSXMTJLN-LBELIVKGSA-N 1 3 210.365 2.281 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC001246460490 987820230 /nfs/dbraw/zinc/82/02/30/987820230.db2.gz JCMQCZMQVGTARB-JHJVBQTASA-N 1 3 210.365 2.461 20 0 BEADHO C[NH2+][C@H]1C[C@H](N[C@H](C)Cc2ccc(C)cc2)C1 ZINC001246462415 987823749 /nfs/dbraw/zinc/82/37/49/987823749.db2.gz RLYQEELPIZHYRM-BPLDGKMQSA-N 1 3 232.371 2.266 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(C)cc2)C1 ZINC001246462415 987823753 /nfs/dbraw/zinc/82/37/53/987823753.db2.gz RLYQEELPIZHYRM-BPLDGKMQSA-N 1 3 232.371 2.266 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001246497757 987853798 /nfs/dbraw/zinc/85/37/98/987853798.db2.gz QUQXUHVITPNICP-IYBDPMFKSA-N 1 3 244.382 2.274 20 0 BEADHO Cc1ccc(C[C@H](C)[N@@H+]2CC[C@@](C)(N)C2)cc1 ZINC001246526764 987878210 /nfs/dbraw/zinc/87/82/10/987878210.db2.gz BTBZSQIMPJGXKD-DZGCQCFKSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)(N)C2)cc1 ZINC001246526764 987878216 /nfs/dbraw/zinc/87/82/16/987878216.db2.gz BTBZSQIMPJGXKD-DZGCQCFKSA-N 1 3 232.371 2.349 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246526268 987879007 /nfs/dbraw/zinc/87/90/07/987879007.db2.gz ADDBXTDCFWNIJW-AVGNSLFASA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246526268 987879013 /nfs/dbraw/zinc/87/90/13/987879013.db2.gz ADDBXTDCFWNIJW-AVGNSLFASA-N 1 3 228.380 2.003 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@](C)(N)C1)CC2 ZINC001246527565 987883400 /nfs/dbraw/zinc/88/34/00/987883400.db2.gz GPYCKBPCBJSAMG-HOTGVXAUSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@](C)(N)C1)CC2 ZINC001246527565 987883402 /nfs/dbraw/zinc/88/34/02/987883402.db2.gz GPYCKBPCBJSAMG-HOTGVXAUSA-N 1 3 244.382 2.275 20 0 BEADHO CCOC1CCC([N@@H+]2CCC[C@@H](N)CC2)CC1 ZINC001246540008 987904561 /nfs/dbraw/zinc/90/45/61/987904561.db2.gz DXIKQFKBRPEYKH-IYXRBSQSSA-N 1 3 240.391 2.147 20 0 BEADHO CCOC1CCC([N@H+]2CCC[C@@H](N)CC2)CC1 ZINC001246540008 987904568 /nfs/dbraw/zinc/90/45/68/987904568.db2.gz DXIKQFKBRPEYKH-IYXRBSQSSA-N 1 3 240.391 2.147 20 0 BEADHO C[C@@H]1CC[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246559831 987983671 /nfs/dbraw/zinc/98/36/71/987983671.db2.gz TZIRKJMWUMGSHA-MXWKQRLJSA-N 1 3 232.318 2.091 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561871 987994655 /nfs/dbraw/zinc/99/46/55/987994655.db2.gz GYAAJXMSTLJZLK-RFGFWPKPSA-N 1 3 242.407 2.249 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561871 987994660 /nfs/dbraw/zinc/99/46/60/987994660.db2.gz GYAAJXMSTLJZLK-RFGFWPKPSA-N 1 3 242.407 2.249 20 0 BEADHO CC(C)COCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246563448 988000684 /nfs/dbraw/zinc/00/06/84/988000684.db2.gz JWCRCFVXQUPHNM-RDBSUJKOSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)COCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246563448 988000694 /nfs/dbraw/zinc/00/06/94/988000694.db2.gz JWCRCFVXQUPHNM-RDBSUJKOSA-N 1 3 242.407 2.107 20 0 BEADHO Cc1cccc2c1CN([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246566653 988033638 /nfs/dbraw/zinc/03/36/38/988033638.db2.gz IPSNYJRUCORMBQ-GXTWGEPZSA-N 1 3 230.355 2.451 20 0 BEADHO CC(C)=CCC[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246570130 988054919 /nfs/dbraw/zinc/05/49/19/988054919.db2.gz ZOBKTRHWPMPPHV-JHJVBQTASA-N 1 3 210.365 2.400 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@H](C)C2)CCN1 ZINC001246578147 988088009 /nfs/dbraw/zinc/08/80/09/988088009.db2.gz YJQMPHGCOLYBLB-REWJHTLYSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H](C)C2)CCN1 ZINC001246578147 988088024 /nfs/dbraw/zinc/08/80/24/988088024.db2.gz YJQMPHGCOLYBLB-REWJHTLYSA-N 1 3 224.392 2.495 20 0 BEADHO CCSC[C@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246582507 988110070 /nfs/dbraw/zinc/11/00/70/988110070.db2.gz NCWSZHBRWQODCA-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CCSC[C@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246582507 988110079 /nfs/dbraw/zinc/11/00/79/988110079.db2.gz NCWSZHBRWQODCA-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO C[C@H]1C[C@H]([NH+]2CC(C)(CN)C2)CC(C)(C)C1 ZINC001246601273 988209302 /nfs/dbraw/zinc/20/93/02/988209302.db2.gz UNTSXLUKAHVPAW-RYUDHWBXSA-N 1 3 224.392 2.482 20 0 BEADHO CSCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246609748 988233395 /nfs/dbraw/zinc/23/33/95/988233395.db2.gz NAGCSMWTWLXONL-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CSCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246609748 988233413 /nfs/dbraw/zinc/23/34/13/988233413.db2.gz NAGCSMWTWLXONL-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CCOCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246613407 988238921 /nfs/dbraw/zinc/23/89/21/988238921.db2.gz ZDXWKRBGOBWYOT-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246613407 988238939 /nfs/dbraw/zinc/23/89/39/988238939.db2.gz ZDXWKRBGOBWYOT-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CC([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H](C)C1 ZINC001246625031 988287196 /nfs/dbraw/zinc/28/71/96/988287196.db2.gz QTZNGDUNHBQJRF-PWNZVWSESA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H](C)C1 ZINC001246625031 988287221 /nfs/dbraw/zinc/28/72/21/988287221.db2.gz QTZNGDUNHBQJRF-PWNZVWSESA-N 1 3 236.403 2.495 20 0 BEADHO CC1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246628656 988300792 /nfs/dbraw/zinc/30/07/92/988300792.db2.gz CBSVSPMQVNDZDK-IFWUJCSASA-N 1 3 208.349 2.001 20 0 BEADHO CC1CCC([N@@H+]2CC[C@@H]3NCC[C@H]32)CC1 ZINC001246628656 988300808 /nfs/dbraw/zinc/30/08/08/988300808.db2.gz CBSVSPMQVNDZDK-IFWUJCSASA-N 1 3 208.349 2.001 20 0 BEADHO CC1CCC([N@H+]2CC[C@@H]3NCC[C@H]32)CC1 ZINC001246628656 988300825 /nfs/dbraw/zinc/30/08/25/988300825.db2.gz CBSVSPMQVNDZDK-IFWUJCSASA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246632916 988308517 /nfs/dbraw/zinc/30/85/17/988308517.db2.gz ISDJJFXQPGHPOI-MQLXINIDSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246632916 988308536 /nfs/dbraw/zinc/30/85/36/988308536.db2.gz ISDJJFXQPGHPOI-MQLXINIDSA-N 1 3 222.376 2.247 20 0 BEADHO CCC1CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246628932 988311321 /nfs/dbraw/zinc/31/13/21/988311321.db2.gz CKELOYWNQKPCBC-CLRIEMFWSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H]1CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640309 988337887 /nfs/dbraw/zinc/33/78/87/988337887.db2.gz SBRGLLAOYXLWIT-WUHRBBMRSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246642096 988344445 /nfs/dbraw/zinc/34/44/45/988344445.db2.gz ZEYVORMFGNMNBC-DHGKCCLASA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@H]1C ZINC001246642096 988344456 /nfs/dbraw/zinc/34/44/56/988344456.db2.gz ZEYVORMFGNMNBC-DHGKCCLASA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3NCC[C@H]32)C[C@H]1C ZINC001246642096 988344469 /nfs/dbraw/zinc/34/44/69/988344469.db2.gz ZEYVORMFGNMNBC-DHGKCCLASA-N 1 3 222.376 2.247 20 0 BEADHO CCCCC[C@H](CC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653892 988379032 /nfs/dbraw/zinc/37/90/32/988379032.db2.gz BMGXNDCTDAUABS-WUHRBBMRSA-N 1 3 210.365 2.234 20 0 BEADHO CCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653892 988379041 /nfs/dbraw/zinc/37/90/41/988379041.db2.gz BMGXNDCTDAUABS-WUHRBBMRSA-N 1 3 210.365 2.234 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660591 988391445 /nfs/dbraw/zinc/39/14/45/988391445.db2.gz VOMDTPRPHJXJAN-POQQGIQPSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660591 988391458 /nfs/dbraw/zinc/39/14/58/988391458.db2.gz VOMDTPRPHJXJAN-POQQGIQPSA-N 1 3 224.392 2.480 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661409 988398738 /nfs/dbraw/zinc/39/87/38/988398738.db2.gz WVMYHYMFPFBHBB-MEBFFEOJSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661409 988398752 /nfs/dbraw/zinc/39/87/52/988398752.db2.gz WVMYHYMFPFBHBB-MEBFFEOJSA-N 1 3 224.392 2.336 20 0 BEADHO CC[C@H](Cc1ccccc1)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246851724 988568037 /nfs/dbraw/zinc/56/80/37/988568037.db2.gz GSXIIWDIUCXZFA-XHSDSOJGSA-N 1 3 244.382 2.431 20 0 BEADHO CC(C)CC[C@H](C)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246862129 988599754 /nfs/dbraw/zinc/59/97/54/988599754.db2.gz QBMRWEPKEWYPEA-YNEHKIRRSA-N 1 3 210.365 2.234 20 0 BEADHO CCC[C@H](CC)[N@H+](CCOC)[C@H]1CCCNC1 ZINC001246929975 988763716 /nfs/dbraw/zinc/76/37/16/988763716.db2.gz RDPGHCOSIJSYCQ-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@H](CC)[N@@H+](CCOC)[C@H]1CCCNC1 ZINC001246929975 988763724 /nfs/dbraw/zinc/76/37/24/988763724.db2.gz RDPGHCOSIJSYCQ-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCCC[C@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948447 988784729 /nfs/dbraw/zinc/78/47/29/988784729.db2.gz QIUWDPDRHQTZEM-WUHRBBMRSA-N 1 3 210.365 2.105 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@H+](C)C[C@H](C)N ZINC001246981888 988810055 /nfs/dbraw/zinc/81/00/55/988810055.db2.gz SWGDVIBLYKSODZ-VHSXEESVSA-N 1 3 218.410 2.186 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@@H+](C)C[C@H](C)N ZINC001246981888 988810060 /nfs/dbraw/zinc/81/00/60/988810060.db2.gz SWGDVIBLYKSODZ-VHSXEESVSA-N 1 3 218.410 2.186 20 0 BEADHO CN(C)C[C@H]1CC[N@H+](CCCC(F)(F)F)C1 ZINC001119930629 989489254 /nfs/dbraw/zinc/48/92/54/989489254.db2.gz AUGLUAMLCFBTJY-SNVBAGLBSA-N 1 3 238.297 2.212 20 0 BEADHO CN(C)C[C@H]1CC[N@@H+](CCCC(F)(F)F)C1 ZINC001119930629 989489269 /nfs/dbraw/zinc/48/92/69/989489269.db2.gz AUGLUAMLCFBTJY-SNVBAGLBSA-N 1 3 238.297 2.212 20 0 BEADHO C[C@H](Cc1ccco1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258194863 991106682 /nfs/dbraw/zinc/10/66/82/991106682.db2.gz LRTNSWINLFIYFC-UKRRQHHQSA-N 1 3 248.370 2.238 20 0 BEADHO C[C@H](Cc1ccco1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258194863 991106684 /nfs/dbraw/zinc/10/66/84/991106684.db2.gz LRTNSWINLFIYFC-UKRRQHHQSA-N 1 3 248.370 2.238 20 0 BEADHO CSCC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001258200047 991116114 /nfs/dbraw/zinc/11/61/14/991116114.db2.gz OMUVNRFJTADUCI-LLVKDONJSA-N 1 3 218.410 2.187 20 0 BEADHO CSCC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001258200047 991116121 /nfs/dbraw/zinc/11/61/21/991116121.db2.gz OMUVNRFJTADUCI-LLVKDONJSA-N 1 3 218.410 2.187 20 0 BEADHO CSCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258223625 991150126 /nfs/dbraw/zinc/15/01/26/991150126.db2.gz FZIQKUINPUOARF-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO CSCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258223627 991153027 /nfs/dbraw/zinc/15/30/27/991153027.db2.gz FZIQKUINPUOARF-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308984339 991237185 /nfs/dbraw/zinc/23/71/85/991237185.db2.gz HGSBODJXOVUNOB-JHJVBQTASA-N 1 3 242.432 2.058 20 0 BEADHO COc1ccc(CC[C@@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001258393482 991347911 /nfs/dbraw/zinc/34/79/11/991347911.db2.gz TVGDBMFKVFRLLJ-LMWSTFAQSA-N 1 3 248.370 2.096 20 0 BEADHO COc1ccc(CC[C@@H](C)NC2CC([NH3+])C2)cc1 ZINC001258393482 991347921 /nfs/dbraw/zinc/34/79/21/991347921.db2.gz TVGDBMFKVFRLLJ-LMWSTFAQSA-N 1 3 248.370 2.096 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001560622564 991523325 /nfs/dbraw/zinc/52/33/25/991523325.db2.gz KSRMRUOLXDYHLW-XGFWRYKXSA-N 1 3 222.376 2.105 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001561052481 991705122 /nfs/dbraw/zinc/70/51/22/991705122.db2.gz BZENTAHWHLDEKX-REBRKWNGSA-N 1 3 236.403 2.495 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)N1C=C(N)C=CC1 ZINC001258902239 991897090 /nfs/dbraw/zinc/89/70/90/991897090.db2.gz BBLSFPFGIAKEJU-ZDUSSCGKSA-N 1 3 237.391 2.169 20 0 BEADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC001320548404 992241327 /nfs/dbraw/zinc/24/13/27/992241327.db2.gz SNIOBZLGIIARIA-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2cc(C)ccc21 ZINC001261423934 992294143 /nfs/dbraw/zinc/29/41/43/992294143.db2.gz JBEAKDVOAZDMPV-DOMZBBRYSA-N 1 3 232.371 2.427 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001474757404 992522633 /nfs/dbraw/zinc/52/26/33/992522633.db2.gz VSLRNXZGWWHELY-BZTHDZJNSA-N 1 3 236.403 2.351 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1O ZINC001575131076 992994637 /nfs/dbraw/zinc/99/46/37/992994637.db2.gz SFJJPJQTKQXKSP-AVGNSLFASA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccncc1 ZINC001262672910 993015936 /nfs/dbraw/zinc/01/59/36/993015936.db2.gz QVMZLNXSSALERB-CYBMUJFWSA-N 1 3 233.359 2.036 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN[C@@H]1C ZINC001575498646 993056073 /nfs/dbraw/zinc/05/60/73/993056073.db2.gz NESMMTZNWRKVQZ-MROQNXINSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H]1C ZINC001575498655 993056246 /nfs/dbraw/zinc/05/62/46/993056246.db2.gz NESMMTZNWRKVQZ-VOAKCMCISA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCN1 ZINC001575965757 993143546 /nfs/dbraw/zinc/14/35/46/993143546.db2.gz FHUSVRMKBZFBKR-YPMHNXCESA-N 1 3 236.334 2.098 20 0 BEADHO C[C@@H](C[NH3+])CNC/C=C\c1cccc(F)c1 ZINC001575987488 993152116 /nfs/dbraw/zinc/15/21/16/993152116.db2.gz HVBLPFQIEFKTEK-MZBZXASESA-N 1 3 222.307 2.023 20 0 BEADHO CC1(C)[C@H](NCc2cccc3[nH]ccc32)C[C@@H]1[NH3+] ZINC001576380646 993285850 /nfs/dbraw/zinc/28/58/50/993285850.db2.gz WBQSNJTZUDTSBI-UONOGXRCSA-N 1 3 243.354 2.383 20 0 BEADHO CC1(C)CC[C@@H](CNC[C@@H]2CCSC2)[NH2+]C1 ZINC001576421067 993301186 /nfs/dbraw/zinc/30/11/86/993301186.db2.gz DSWDSVTVIQEPEG-RYUDHWBXSA-N 1 3 242.432 2.107 20 0 BEADHO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000380075542 993310624 /nfs/dbraw/zinc/31/06/24/993310624.db2.gz RBXVCOGWQJIWAM-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000380075542 993310631 /nfs/dbraw/zinc/31/06/31/993310631.db2.gz RBXVCOGWQJIWAM-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000380075539 993312449 /nfs/dbraw/zinc/31/24/49/993312449.db2.gz RBXVCOGWQJIWAM-BFHYXJOUSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000380075539 993312456 /nfs/dbraw/zinc/31/24/56/993312456.db2.gz RBXVCOGWQJIWAM-BFHYXJOUSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(c2ccccc2)CC([NH2+]CC2(CN)CC2)C1 ZINC001576567161 993348114 /nfs/dbraw/zinc/34/81/14/993348114.db2.gz VAESDBJILHJLSU-UHFFFAOYSA-N 1 3 244.382 2.435 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001576648386 993384431 /nfs/dbraw/zinc/38/44/31/993384431.db2.gz YLNXSWLIRCAFNO-WZBKEBKWSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1C[C@@H](NC/C=C\C2CC2)CC[N@@H+]1C ZINC000382312871 993448528 /nfs/dbraw/zinc/44/85/28/993448528.db2.gz QPCUKPDTDLLCIG-ZMQQHQCJSA-N 1 3 208.349 2.025 20 0 BEADHO C[C@@H]1C[C@@H](NC/C=C\C2CC2)CC[N@H+]1C ZINC000382312871 993448534 /nfs/dbraw/zinc/44/85/34/993448534.db2.gz QPCUKPDTDLLCIG-ZMQQHQCJSA-N 1 3 208.349 2.025 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000382356212 993452288 /nfs/dbraw/zinc/45/22/88/993452288.db2.gz IJGQKTAKXYVQMR-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H](N)C1 ZINC001577254372 993566235 /nfs/dbraw/zinc/56/62/35/993566235.db2.gz JVGQQARKDPIACJ-YVECIDJPSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1cccc(C[N@H+]2CCNC[C@H](C)C2)c1C ZINC000385170639 993649879 /nfs/dbraw/zinc/64/98/79/993649879.db2.gz FRFXGLKYLQOONW-LBPRGKRZSA-N 1 3 232.371 2.345 20 0 BEADHO Cc1cccc(C[N@@H+]2CCNC[C@H](C)C2)c1C ZINC000385170639 993649884 /nfs/dbraw/zinc/64/98/84/993649884.db2.gz FRFXGLKYLQOONW-LBPRGKRZSA-N 1 3 232.371 2.345 20 0 BEADHO COc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC000386498469 993688223 /nfs/dbraw/zinc/68/82/23/993688223.db2.gz YRHCEPSOMOTCAM-AWEZNQCLSA-N 1 3 248.370 2.256 20 0 BEADHO CCCSC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001577596949 993690183 /nfs/dbraw/zinc/69/01/83/993690183.db2.gz NSKBMHKCZGUWHU-GRYCIOLGSA-N 1 3 230.421 2.248 20 0 BEADHO CCCSC[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001577596949 993690190 /nfs/dbraw/zinc/69/01/90/993690190.db2.gz NSKBMHKCZGUWHU-GRYCIOLGSA-N 1 3 230.421 2.248 20 0 BEADHO C[C@H]1C[C@H](N2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795779 994049279 /nfs/dbraw/zinc/04/92/79/994049279.db2.gz CHWSYCCGNRHLSC-WDEREUQCSA-N 1 3 232.318 2.248 20 0 BEADHO Cc1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC001332877638 994380353 /nfs/dbraw/zinc/38/03/53/994380353.db2.gz IPQWTGWOGMJESN-LSDHHAIUSA-N 1 3 244.382 2.397 20 0 BEADHO Cc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC001332877637 994381490 /nfs/dbraw/zinc/38/14/90/994381490.db2.gz IPQWTGWOGMJESN-HUUCEWRRSA-N 1 3 244.382 2.397 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCc2ccccc21 ZINC001334389927 994589240 /nfs/dbraw/zinc/58/92/40/994589240.db2.gz KJPHHWZTUQXFDS-BJJXKVORSA-N 1 3 244.382 2.447 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC/C=C/C2CC2)C1 ZINC001334742593 994627624 /nfs/dbraw/zinc/62/76/24/994627624.db2.gz JQTRFVOKYMMJLA-ITDFMYJTSA-N 1 3 222.376 2.320 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCCCC3)[C@@H]2C1 ZINC001621107915 1170716820 /nfs/dbraw/zinc/71/68/20/1170716820.db2.gz CQWDGDSIFGGARO-IACUBPJLSA-N 1 3 222.376 2.249 20 0 BEADHO CC[NH+]1CCC(CN(C)Cc2ccco2)CC1 ZINC001621205676 1170740136 /nfs/dbraw/zinc/74/01/36/1170740136.db2.gz UTDJGPMYGVMQKB-UHFFFAOYSA-N 1 3 236.359 2.443 20 0 BEADHO Cc1ccccc1CNC[C@H]1C[NH+]2CCC1CC2 ZINC001621551824 1170846682 /nfs/dbraw/zinc/84/66/82/1170846682.db2.gz SHASLSPMCZNBSH-INIZCTEOSA-N 1 3 244.382 2.426 20 0 BEADHO Cc1ccccc1C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001621551824 1170846689 /nfs/dbraw/zinc/84/66/89/1170846689.db2.gz SHASLSPMCZNBSH-INIZCTEOSA-N 1 3 244.382 2.426 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@H]2C1 ZINC001621569796 1170856011 /nfs/dbraw/zinc/85/60/11/1170856011.db2.gz FBDVZMFMTKOXJO-CRWXNKLISA-N 1 3 236.403 2.495 20 0 BEADHO CCOCCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCC1 ZINC000422942828 398159625 /nfs/dbraw/zinc/15/96/25/398159625.db2.gz QGJMBVDQQYPFRB-OLZOCXBDSA-N 1 3 242.407 2.299 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000301012144 349515149 /nfs/dbraw/zinc/51/51/49/349515149.db2.gz YZIPOXSYKJSEMR-AVGNSLFASA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000301012144 349515151 /nfs/dbraw/zinc/51/51/51/349515151.db2.gz YZIPOXSYKJSEMR-AVGNSLFASA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000301012144 349515153 /nfs/dbraw/zinc/51/51/53/349515153.db2.gz YZIPOXSYKJSEMR-AVGNSLFASA-N 1 3 212.381 2.480 20 0 BEADHO CC/C=C\CC[NH+]1CCC(N(C)C)CC1 ZINC000342275353 365542062 /nfs/dbraw/zinc/54/20/62/365542062.db2.gz QRJVZOZBYVZUGS-WAYWQWQTSA-N 1 3 210.365 2.369 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000380746771 398206957 /nfs/dbraw/zinc/20/69/57/398206957.db2.gz SUURLBFAFWATPP-LOWVWBTDSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1cccs1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000380746771 398206961 /nfs/dbraw/zinc/20/69/61/398206961.db2.gz SUURLBFAFWATPP-LOWVWBTDSA-N 1 3 238.400 2.267 20 0 BEADHO [NH3+]C[C@@H]1CN(CCC2CCCCC2)CCCO1 ZINC000313384187 398213891 /nfs/dbraw/zinc/21/38/91/398213891.db2.gz QWRQQNLKAIJEAX-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO Cc1cc(NC2CCN(C3CC3)CC2)cc[nH+]1 ZINC000274726991 178155297 /nfs/dbraw/zinc/15/52/97/178155297.db2.gz GLZFETSYONZRPP-UHFFFAOYSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1cc(NCC2=CCN(C)CC2)cc[nH+]1 ZINC000274864465 178157720 /nfs/dbraw/zinc/15/77/20/178157720.db2.gz DLLKJMPNBJIFSU-UHFFFAOYSA-N 1 3 217.316 2.064 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000584242206 398221634 /nfs/dbraw/zinc/22/16/34/398221634.db2.gz KYONCADIZWHUNZ-UONOGXRCSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)c1cccnc1 ZINC000584242206 398221637 /nfs/dbraw/zinc/22/16/37/398221637.db2.gz KYONCADIZWHUNZ-UONOGXRCSA-N 1 3 247.386 2.219 20 0 BEADHO CCC(CC)C[N@@H+]1CCC[C@H](CNC)C1 ZINC000040591995 168350621 /nfs/dbraw/zinc/35/06/21/168350621.db2.gz QQYVXTPZADTXJB-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CCC(CC)C[N@H+]1CCC[C@H](CNC)C1 ZINC000040591995 168350623 /nfs/dbraw/zinc/35/06/23/168350623.db2.gz QQYVXTPZADTXJB-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC[NH+](CC)CCCN(C)CCC1CC1 ZINC000173367991 259303082 /nfs/dbraw/zinc/30/30/82/259303082.db2.gz VYRLGTRCSYAJKM-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@H+](C)CCC1CC1 ZINC000173367991 259303084 /nfs/dbraw/zinc/30/30/84/259303084.db2.gz VYRLGTRCSYAJKM-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CCC1CC1 ZINC000173367991 259303086 /nfs/dbraw/zinc/30/30/86/259303086.db2.gz VYRLGTRCSYAJKM-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO Cc1ccccc1OCCCN(C)CCC[NH3+] ZINC000430568565 398228721 /nfs/dbraw/zinc/22/87/21/398228721.db2.gz HMPDOTYIYPMECI-UHFFFAOYSA-N 1 3 236.359 2.045 20 0 BEADHO Cc1cc([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)no1 ZINC000333893846 178255589 /nfs/dbraw/zinc/25/55/89/178255589.db2.gz YROOBKCGEOCFRD-WUHRBBMRSA-N 1 3 249.358 2.022 20 0 BEADHO CCC(CC)C[NH2+][C@H]1CCNCC1(C)C ZINC000300883112 168364603 /nfs/dbraw/zinc/36/46/03/168364603.db2.gz SQHFOJORNTXHBB-LBPRGKRZSA-N 1 3 212.381 2.400 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCSC[C@@H](C)C1 ZINC000191896817 361827453 /nfs/dbraw/zinc/82/74/53/361827453.db2.gz USNAKJMQYPXUJM-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CCN(CC)CCC[N@H+]1CCSC[C@@H](C)C1 ZINC000191896817 361827456 /nfs/dbraw/zinc/82/74/56/361827456.db2.gz USNAKJMQYPXUJM-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251282450 398268386 /nfs/dbraw/zinc/26/83/86/398268386.db2.gz DPVZYFJCQRJZFN-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO CCC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166564058 361852326 /nfs/dbraw/zinc/85/23/26/361852326.db2.gz OLEZZIJKLHVHHJ-LBPRGKRZSA-N 1 3 200.370 2.495 20 0 BEADHO CSC1(C[NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000600191490 342698115 /nfs/dbraw/zinc/69/81/15/342698115.db2.gz PJULDOZPVUFNLO-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H](NCc1ccco1)C1CC[NH+](C)CC1 ZINC000037208432 538962016 /nfs/dbraw/zinc/96/20/16/538962016.db2.gz ASYZKBAXCIPCNA-NSHDSACASA-N 1 3 222.332 2.100 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000381538170 539003052 /nfs/dbraw/zinc/00/30/52/539003052.db2.gz HKIZLYPZVWEFGA-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1csc([C@H](C)NCCCC[NH+](C)C)n1 ZINC000381750598 539006406 /nfs/dbraw/zinc/00/64/06/539006406.db2.gz RBFGSHDBHFWQDH-NSHDSACASA-N 1 3 241.404 2.444 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cccc(F)c2)C1 ZINC000093211056 398309480 /nfs/dbraw/zinc/30/94/80/398309480.db2.gz NUFBFTKCYYGNCG-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000093211056 398309481 /nfs/dbraw/zinc/30/94/81/398309481.db2.gz NUFBFTKCYYGNCG-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871884 342909123 /nfs/dbraw/zinc/90/91/23/342909123.db2.gz KUKRNAUGFUSGAA-TZMCWYRMSA-N 1 3 222.376 2.345 20 0 BEADHO CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871884 342909125 /nfs/dbraw/zinc/90/91/25/342909125.db2.gz KUKRNAUGFUSGAA-TZMCWYRMSA-N 1 3 222.376 2.345 20 0 BEADHO CC[C@H](CSC)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000162387444 349684187 /nfs/dbraw/zinc/68/41/87/349684187.db2.gz MRYSGFNAQBSGMJ-JHJVBQTASA-N 1 3 242.432 2.344 20 0 BEADHO CC[C@H](CSC)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162387444 349684190 /nfs/dbraw/zinc/68/41/90/349684190.db2.gz MRYSGFNAQBSGMJ-JHJVBQTASA-N 1 3 242.432 2.344 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000576814628 365691118 /nfs/dbraw/zinc/69/11/18/365691118.db2.gz FXMNNLJGFDILLL-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CCCN1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000236779593 346910531 /nfs/dbraw/zinc/91/05/31/346910531.db2.gz DTTPYIBTAUJBNH-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CN1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000044534712 343008992 /nfs/dbraw/zinc/00/89/92/343008992.db2.gz VGXXQNXKFBSYFR-LBPRGKRZSA-N 1 3 236.334 2.257 20 0 BEADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000044534339 343009011 /nfs/dbraw/zinc/00/90/11/343009011.db2.gz HLBWHADIAQDQGD-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000044534339 343009012 /nfs/dbraw/zinc/00/90/12/343009012.db2.gz HLBWHADIAQDQGD-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO C([C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC1 ZINC000120102058 187222568 /nfs/dbraw/zinc/22/25/68/187222568.db2.gz KJAHEQMMGPZNKL-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO C([C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCC1 ZINC000120102058 187222570 /nfs/dbraw/zinc/22/25/70/187222570.db2.gz KJAHEQMMGPZNKL-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO C([C@@H]1CCN(C2CCCC2)C1)[NH+]1CCCC1 ZINC000120102058 187222572 /nfs/dbraw/zinc/22/25/72/187222572.db2.gz KJAHEQMMGPZNKL-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000521272157 259344604 /nfs/dbraw/zinc/34/46/04/259344604.db2.gz SJVXEZYSOZHYDR-AEJSXWLSSA-N 1 3 236.281 2.059 20 0 BEADHO CC(C)[C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386597520 343079214 /nfs/dbraw/zinc/07/92/14/343079214.db2.gz TWAVFVOTNYPPMK-JHJVBQTASA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386597518 343079295 /nfs/dbraw/zinc/07/92/95/343079295.db2.gz TWAVFVOTNYPPMK-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](NCCCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386593043 343078621 /nfs/dbraw/zinc/07/86/21/343078621.db2.gz RYXIFBASAVJXLA-UWVGGRQHSA-N 1 3 238.297 2.449 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CNC ZINC000562956129 323034901 /nfs/dbraw/zinc/03/49/01/323034901.db2.gz GUHFQKHMQXIKHB-QWRGUYRKSA-N 1 3 200.370 2.256 20 0 BEADHO C(CC1CCCC1)[NH2+][C@H]1CCCNCC1 ZINC000168730222 136269866 /nfs/dbraw/zinc/26/98/66/136269866.db2.gz SZYQSOXBDMDXHU-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)[C@@H]1C ZINC000252111302 343125773 /nfs/dbraw/zinc/12/57/73/343125773.db2.gz HUHIKYFQIDCGHS-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)[C@@H]1C ZINC000252111302 343125774 /nfs/dbraw/zinc/12/57/74/343125774.db2.gz HUHIKYFQIDCGHS-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCC[C@H](N)C2)c1 ZINC000093215804 343151292 /nfs/dbraw/zinc/15/12/92/343151292.db2.gz NDSSOEYVZJXMRE-GJZGRUSLSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1cccc(CCN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093215804 343151294 /nfs/dbraw/zinc/15/12/94/343151294.db2.gz NDSSOEYVZJXMRE-GJZGRUSLSA-N 1 3 232.371 2.397 20 0 BEADHO CCN(CCCCCC[NH3+])Cc1ccccn1 ZINC000094918303 343154085 /nfs/dbraw/zinc/15/40/85/343154085.db2.gz HOJVXWVIFNOWJH-UHFFFAOYSA-N 1 3 235.375 2.423 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000123990339 343166295 /nfs/dbraw/zinc/16/62/95/343166295.db2.gz UDCYSSTZDPOBOQ-RKDXNWHRSA-N 1 3 224.270 2.188 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000133881413 343186403 /nfs/dbraw/zinc/18/64/03/343186403.db2.gz FBMBTGOZXWCKOA-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000133881413 343186405 /nfs/dbraw/zinc/18/64/05/343186405.db2.gz FBMBTGOZXWCKOA-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069381553 343277896 /nfs/dbraw/zinc/27/78/96/343277896.db2.gz IJAWRVGOGPHHBA-BDAKNGLRSA-N 1 3 224.270 2.046 20 0 BEADHO Cc1nc(CNC2CCC([NH3+])CC2)sc1C ZINC000335635762 136300549 /nfs/dbraw/zinc/30/05/49/136300549.db2.gz WSFDKYUTQKDEOA-UHFFFAOYSA-N 1 3 239.388 2.119 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCCNCC1 ZINC000335650856 136305135 /nfs/dbraw/zinc/30/51/35/136305135.db2.gz QSELBDNLLMWYPW-HUUCEWRRSA-N 1 3 244.382 2.448 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166214937 136309436 /nfs/dbraw/zinc/30/94/36/136309436.db2.gz HXBYFTYRGJLPQR-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO C1=CC[C@H](C[NH2+]CCCN2CCCC2)CC1 ZINC000020129168 187257361 /nfs/dbraw/zinc/25/73/61/187257361.db2.gz VWNOVTRBLICBHP-AWEZNQCLSA-N 1 3 222.376 2.418 20 0 BEADHO CN(CC1CCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082493360 343442213 /nfs/dbraw/zinc/44/22/13/343442213.db2.gz NZHUSEDBVPAZKP-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)c1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000258739871 136373792 /nfs/dbraw/zinc/37/37/92/136373792.db2.gz KUFRQASWAWAQRK-LBPRGKRZSA-N 1 3 220.360 2.494 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2N)ccc1F ZINC000258862195 136374026 /nfs/dbraw/zinc/37/40/26/136374026.db2.gz FOSCGRZEPZFWHL-CHWSQXEVSA-N 1 3 222.307 2.104 20 0 BEADHO Cc1cc(C[NH2+][C@H]2CCC[C@H]2N)ccc1F ZINC000258862199 136374050 /nfs/dbraw/zinc/37/40/50/136374050.db2.gz FOSCGRZEPZFWHL-OLZOCXBDSA-N 1 3 222.307 2.104 20 0 BEADHO C[C@@H]1CC[N@H+](CCC2CCC2)C[C@H]1CN ZINC000398701228 488222225 /nfs/dbraw/zinc/22/22/25/488222225.db2.gz KBUWTBZEIMGUGB-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@H]1CN ZINC000398701228 488222227 /nfs/dbraw/zinc/22/22/27/488222227.db2.gz KBUWTBZEIMGUGB-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccsc1 ZINC000570183455 323052178 /nfs/dbraw/zinc/05/21/78/323052178.db2.gz KJLVMLCYTRRWHO-WDEREUQCSA-N 1 3 226.389 2.124 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC2CCC2)C[C@@H]1CN ZINC000398899095 488225692 /nfs/dbraw/zinc/22/56/92/488225692.db2.gz HDQKYRDYWUNLJW-BZPMIXESSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC2CCC2)C[C@@H]1CN ZINC000398899095 488225694 /nfs/dbraw/zinc/22/56/94/488225694.db2.gz HDQKYRDYWUNLJW-BZPMIXESSA-N 1 3 224.392 2.482 20 0 BEADHO Cc1cc(C)c(CN(C)CCC[NH3+])c(C)c1 ZINC000053299898 343646482 /nfs/dbraw/zinc/64/64/82/343646482.db2.gz NMRXMDIFNAOZBD-UHFFFAOYSA-N 1 3 220.360 2.392 20 0 BEADHO COc1ccc(CCN2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000049707591 187270436 /nfs/dbraw/zinc/27/04/36/187270436.db2.gz XRWCGEOGVYZXEM-TZMCWYRMSA-N 1 3 248.370 2.049 20 0 BEADHO CC/C=C\CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000342251176 343726941 /nfs/dbraw/zinc/72/69/41/343726941.db2.gz RBWKHNLHBQMAJB-SZZPACECSA-N 1 3 210.365 2.226 20 0 BEADHO Cc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000019962351 178603051 /nfs/dbraw/zinc/60/30/51/178603051.db2.gz QQWKHHXNKKLBCW-UHFFFAOYSA-N 1 3 218.344 2.179 20 0 BEADHO N[C@]12CCC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000621777906 343903410 /nfs/dbraw/zinc/90/34/10/343903410.db2.gz IOPNTWHDPAVJLJ-HOTGVXAUSA-N 1 3 244.382 2.432 20 0 BEADHO N[C@]12CCC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777906 343903411 /nfs/dbraw/zinc/90/34/11/343903411.db2.gz IOPNTWHDPAVJLJ-HOTGVXAUSA-N 1 3 244.382 2.432 20 0 BEADHO CC[NH2+]CCCN[C@H](C)Cc1ccsc1 ZINC000573355048 344107579 /nfs/dbraw/zinc/10/75/79/344107579.db2.gz BARGFHMVQRZUIL-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733442 344113309 /nfs/dbraw/zinc/11/33/09/344113309.db2.gz FYIFOVKNAVEJGV-WOPDTQHZSA-N 1 3 210.365 2.010 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000634733551 344113978 /nfs/dbraw/zinc/11/39/78/344113978.db2.gz IFRUGNZJBBGVSD-RYUDHWBXSA-N 1 3 242.432 2.107 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000093977908 344150537 /nfs/dbraw/zinc/15/05/37/344150537.db2.gz WFDMGXKNUNUYAG-WCFLWFBJSA-N 1 3 208.349 2.001 20 0 BEADHO Cc1ccc(CC[N@@H+](C)C2CCNCC2)cc1 ZINC000215638433 349904689 /nfs/dbraw/zinc/90/46/89/349904689.db2.gz GEAWDXAAKCPWKA-UHFFFAOYSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1ccc(CC[N@H+](C)C2CCNCC2)cc1 ZINC000215638433 349904690 /nfs/dbraw/zinc/90/46/90/349904690.db2.gz GEAWDXAAKCPWKA-UHFFFAOYSA-N 1 3 232.371 2.221 20 0 BEADHO CC[C@@H](C)C[N@H+](C)CC[C@H](N)C(C)C ZINC000133306139 344317530 /nfs/dbraw/zinc/31/75/30/344317530.db2.gz YEMUEODYKFDVIA-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@@H](C)C[N@@H+](C)CC[C@H](N)C(C)C ZINC000133306139 344317533 /nfs/dbraw/zinc/31/75/33/344317533.db2.gz YEMUEODYKFDVIA-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@@H](C)CN(C)CC[C@H]([NH3+])C(C)C ZINC000133306139 344317534 /nfs/dbraw/zinc/31/75/34/344317534.db2.gz YEMUEODYKFDVIA-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(F)cc1F ZINC000584285625 344419555 /nfs/dbraw/zinc/41/95/55/344419555.db2.gz VMPIVKFNKSBTDD-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000584285625 344419557 /nfs/dbraw/zinc/41/95/57/344419557.db2.gz VMPIVKFNKSBTDD-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO CC(C)C[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000042559899 344458384 /nfs/dbraw/zinc/45/83/84/344458384.db2.gz RHKHNROQKDUASW-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)C[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000042559899 344458385 /nfs/dbraw/zinc/45/83/85/344458385.db2.gz RHKHNROQKDUASW-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCF ZINC000389331098 344459855 /nfs/dbraw/zinc/45/98/55/344459855.db2.gz LSBQSZKBCBJWRI-NWDGAFQWSA-N 1 3 216.344 2.246 20 0 BEADHO CC(C)C[N@H+](C[C@H]1CCCNC1)C(C)C ZINC000042593434 344460183 /nfs/dbraw/zinc/46/01/83/344460183.db2.gz POOFNXBDROAKNQ-ZDUSSCGKSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)C[N@@H+](C[C@H]1CCCNC1)C(C)C ZINC000042593434 344460186 /nfs/dbraw/zinc/46/01/86/344460186.db2.gz POOFNXBDROAKNQ-ZDUSSCGKSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1cscn1 ZINC000570832112 323072261 /nfs/dbraw/zinc/07/22/61/323072261.db2.gz UDPRERXALFDIIF-AXFHLTTASA-N 1 3 239.388 2.311 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000336775439 537846400 /nfs/dbraw/zinc/84/64/00/537846400.db2.gz ZARUZAPKYKPJOW-KBPBESRZSA-N 1 3 220.360 2.027 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000336775440 537847492 /nfs/dbraw/zinc/84/74/92/537847492.db2.gz ZARUZAPKYKPJOW-KGLIPLIRSA-N 1 3 220.360 2.027 20 0 BEADHO Cc1ccsc1C[N@@H+]1CCCC[C@H]1CN ZINC000044540063 344543417 /nfs/dbraw/zinc/54/34/17/344543417.db2.gz KXRSCXFPHQGAGL-NSHDSACASA-N 1 3 224.373 2.370 20 0 BEADHO Cc1ccsc1C[N@H+]1CCCC[C@H]1CN ZINC000044540063 344543419 /nfs/dbraw/zinc/54/34/19/344543419.db2.gz KXRSCXFPHQGAGL-NSHDSACASA-N 1 3 224.373 2.370 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@H]1CCCNC1 ZINC000573967521 344580253 /nfs/dbraw/zinc/58/02/53/344580253.db2.gz SOZKQKOMJUXOMT-ZDEQEGDKSA-N 1 3 228.355 2.245 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625975927 344639912 /nfs/dbraw/zinc/63/99/12/344639912.db2.gz FRCUZDVTUIUZNZ-RFGFWPKPSA-N 1 3 242.407 2.120 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625975927 344639914 /nfs/dbraw/zinc/63/99/14/344639914.db2.gz FRCUZDVTUIUZNZ-RFGFWPKPSA-N 1 3 242.407 2.120 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 ZINC000235092035 344782231 /nfs/dbraw/zinc/78/22/31/344782231.db2.gz NIZILLLCRWFDHJ-GHMZBOCLSA-N 1 3 228.405 2.132 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCc2ccco2)[C@H](C)C1 ZINC000155952193 345116152 /nfs/dbraw/zinc/11/61/52/345116152.db2.gz OISFXISJZCXXBA-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@H](NCCc2ccco2)[C@H](C)C1 ZINC000155952193 345116154 /nfs/dbraw/zinc/11/61/54/345116154.db2.gz OISFXISJZCXXBA-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO C(C1CC1)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000156528117 345176960 /nfs/dbraw/zinc/17/69/60/345176960.db2.gz FPSVKDIZUXOLBH-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CC1)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000156528117 345176961 /nfs/dbraw/zinc/17/69/61/345176961.db2.gz FPSVKDIZUXOLBH-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000156528117 345176963 /nfs/dbraw/zinc/17/69/63/345176963.db2.gz FPSVKDIZUXOLBH-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO Cc1cccc(C)c1CC[NH2+]CC12CC(C1)CN2 ZINC000634995358 345184639 /nfs/dbraw/zinc/18/46/39/345184639.db2.gz BQBLXSRAGFWKSG-UHFFFAOYSA-N 1 3 244.382 2.188 20 0 BEADHO CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000635021951 345224225 /nfs/dbraw/zinc/22/42/25/345224225.db2.gz QHQIXDIHJMQKOK-RWMBFGLXSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCCC12CC2 ZINC000634997610 345197396 /nfs/dbraw/zinc/19/73/96/345197396.db2.gz OZHRGDSBCCWAAX-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998707 345198511 /nfs/dbraw/zinc/19/85/11/345198511.db2.gz JNKPVLKOTDWMFG-GXSJLCMTSA-N 1 3 224.373 2.083 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@H]1C[C@H]1C ZINC000635004763 345208305 /nfs/dbraw/zinc/20/83/05/345208305.db2.gz DXGHRNMIGISELR-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CC1 ZINC000635004676 345208637 /nfs/dbraw/zinc/20/86/37/345208637.db2.gz JWNZMHJFOVRCMR-WFASDCNBSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cscn1 ZINC000635006407 345210617 /nfs/dbraw/zinc/21/06/17/345210617.db2.gz REVHKUBRQYPDQG-DCAQKATOSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cscn1 ZINC000635006418 345210791 /nfs/dbraw/zinc/21/07/91/345210791.db2.gz REVHKUBRQYPDQG-GMTAPVOTSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635010076 345212031 /nfs/dbraw/zinc/21/20/31/345212031.db2.gz XYXZJZPIJCJWOG-AVGNSLFASA-N 1 3 247.386 2.301 20 0 BEADHO Cc1csc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000335590663 187304337 /nfs/dbraw/zinc/30/43/37/187304337.db2.gz HKNBTPJABZZVMN-DGCLKSJQSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1csc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335590663 187304339 /nfs/dbraw/zinc/30/43/39/187304339.db2.gz HKNBTPJABZZVMN-DGCLKSJQSA-N 1 3 238.400 2.486 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000319086433 259384186 /nfs/dbraw/zinc/38/41/86/259384186.db2.gz CFDFSSKWACRCEZ-RVMXOQNASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](C[N@@H+]1C[C@H](CN)C[C@@H]1C)c1ccccc1 ZINC000216056337 345743149 /nfs/dbraw/zinc/74/31/49/345743149.db2.gz VKIQLAPYQKBGDH-RDBSUJKOSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1C[C@H](CN)C[C@@H]1C)c1ccccc1 ZINC000216056337 345743151 /nfs/dbraw/zinc/74/31/51/345743151.db2.gz VKIQLAPYQKBGDH-RDBSUJKOSA-N 1 3 232.371 2.459 20 0 BEADHO COCc1cccc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000216074666 345743804 /nfs/dbraw/zinc/74/38/04/345743804.db2.gz VZZIDNWGCVDTRL-DOMZBBRYSA-N 1 3 248.370 2.002 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)Cc1ccsc1)CN(C)C ZINC000381455935 345937151 /nfs/dbraw/zinc/93/71/51/345937151.db2.gz IJRPRCURNRACCP-NEPJUHHUSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@H](CN[C@@H](C)Cc1ccsc1)C[NH+](C)C ZINC000381455935 345937155 /nfs/dbraw/zinc/93/71/55/345937155.db2.gz IJRPRCURNRACCP-NEPJUHHUSA-N 1 3 240.416 2.466 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCC(C)(C)C1 ZINC000191801160 346064768 /nfs/dbraw/zinc/06/47/68/346064768.db2.gz GGTPEHRDJBZEEA-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@H+]1CCC(C)(C)C1 ZINC000191801160 346064771 /nfs/dbraw/zinc/06/47/71/346064771.db2.gz GGTPEHRDJBZEEA-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO Cc1ccc(CN(C)CC2CC[NH+](C)CC2)cn1 ZINC000153850612 537952702 /nfs/dbraw/zinc/95/27/02/537952702.db2.gz KZWLUOTUKYAMDW-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO Cc1ccccc1[C@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320069 537956572 /nfs/dbraw/zinc/95/65/72/537956572.db2.gz NZDSDZBHTWOTNB-MELADBBJSA-N 1 3 230.355 2.207 20 0 BEADHO C[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000669378416 537967124 /nfs/dbraw/zinc/96/71/24/537967124.db2.gz DOEIRAGADRROJI-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCNC1 ZINC000669378416 537967129 /nfs/dbraw/zinc/96/71/29/537967129.db2.gz DOEIRAGADRROJI-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCNC1 ZINC000669378416 537967135 /nfs/dbraw/zinc/96/71/35/537967135.db2.gz DOEIRAGADRROJI-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1cccc(CN(C)CC(C)(C)C[NH3+])c1 ZINC000051286232 179063360 /nfs/dbraw/zinc/06/33/60/179063360.db2.gz ZGJCEFKOOPUHER-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO Cc1cccc(C[N@@H+](C)CC(C)(C)CN)c1 ZINC000051286232 179063364 /nfs/dbraw/zinc/06/33/64/179063364.db2.gz ZGJCEFKOOPUHER-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO Cc1cccc(C[N@H+](C)CC(C)(C)CN)c1 ZINC000051286232 179063365 /nfs/dbraw/zinc/06/33/65/179063365.db2.gz ZGJCEFKOOPUHER-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000563423084 323124290 /nfs/dbraw/zinc/12/42/90/323124290.db2.gz DBIKTNWZZXFJIB-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1cccc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049713003 179081770 /nfs/dbraw/zinc/08/17/70/179081770.db2.gz OGAWICBJXCBKIG-JSGCOSHPSA-N 1 3 218.344 2.307 20 0 BEADHO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](CN)C1CC1 ZINC000580062462 346502386 /nfs/dbraw/zinc/50/23/86/346502386.db2.gz FCJBLANSYTWOKO-SMDDNHRTSA-N 1 3 248.370 2.392 20 0 BEADHO CC1(C)[C@H](NCCCc2ccsc2)C[C@@H]1[NH3+] ZINC000641800642 362751551 /nfs/dbraw/zinc/75/15/51/362751551.db2.gz CETAEZWAUMSPCU-NWDGAFQWSA-N 1 3 238.400 2.396 20 0 BEADHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000252699706 346780620 /nfs/dbraw/zinc/78/06/20/346780620.db2.gz VTIFYBOKHPLFSV-JHJVBQTASA-N 1 3 218.344 2.417 20 0 BEADHO C[C@H](c1ccccc1)[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000252699706 346780623 /nfs/dbraw/zinc/78/06/23/346780623.db2.gz VTIFYBOKHPLFSV-JHJVBQTASA-N 1 3 218.344 2.417 20 0 BEADHO Cc1cccc(OCCN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131785050 179168326 /nfs/dbraw/zinc/16/83/26/179168326.db2.gz WWLCIKSNBIPCTD-UONOGXRCSA-N 1 3 248.370 2.043 20 0 BEADHO Cc1cccc(OCCN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228081194 179168368 /nfs/dbraw/zinc/16/83/68/179168368.db2.gz WWLCIKSNBIPCTD-ZIAGYGMSSA-N 1 3 248.370 2.043 20 0 BEADHO CC(C)(C)CCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622003473 370653874 /nfs/dbraw/zinc/65/38/74/370653874.db2.gz AGMNJRNFQMNLGX-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CCC[C@H](C)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004477 370655323 /nfs/dbraw/zinc/65/53/23/370655323.db2.gz PGYLMEFOGKNULV-YNEHKIRRSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cccc([C@H](C)N2CCC([NH3+])CC2)c1 ZINC000041046863 179193645 /nfs/dbraw/zinc/19/36/45/179193645.db2.gz MFJLRSBGDHTRRM-LBPRGKRZSA-N 1 3 218.344 2.479 20 0 BEADHO C1=CCN(CCCC[N@H+]2CC=CCC2)CC1 ZINC000679323749 488336903 /nfs/dbraw/zinc/33/69/03/488336903.db2.gz JNUBJIJZSBESEK-UHFFFAOYSA-N 1 3 220.360 2.290 20 0 BEADHO C1=CCN(CCCC[N@@H+]2CC=CCC2)CC1 ZINC000679323749 488336904 /nfs/dbraw/zinc/33/69/04/488336904.db2.gz JNUBJIJZSBESEK-UHFFFAOYSA-N 1 3 220.360 2.290 20 0 BEADHO C[C@H](C[NH2+]CC1(C)CC1)CN1CCCC1 ZINC000380105784 365881930 /nfs/dbraw/zinc/88/19/30/365881930.db2.gz NBJDHCBLDOYPSX-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C1CC1)C1CC1 ZINC000577214323 365883605 /nfs/dbraw/zinc/88/36/05/365883605.db2.gz AYZXYHNWBWRCOL-VHSXEESVSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000577214324 365884046 /nfs/dbraw/zinc/88/40/46/365884046.db2.gz AYZXYHNWBWRCOL-ZJUUUORDSA-N 1 3 210.365 2.138 20 0 BEADHO Cc1ccccc1CCC[N@@H+]1CCCNCC1 ZINC000041259757 179261561 /nfs/dbraw/zinc/26/15/61/179261561.db2.gz HIFQARCWQQBVPU-UHFFFAOYSA-N 1 3 232.371 2.223 20 0 BEADHO Cc1ccccc1CCC[N@H+]1CCCNCC1 ZINC000041259757 179261563 /nfs/dbraw/zinc/26/15/63/179261563.db2.gz HIFQARCWQQBVPU-UHFFFAOYSA-N 1 3 232.371 2.223 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122313924 179275711 /nfs/dbraw/zinc/27/57/11/179275711.db2.gz UHUWXBOGCHTLEN-QWHCGFSZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122313924 179275715 /nfs/dbraw/zinc/27/57/15/179275715.db2.gz UHUWXBOGCHTLEN-QWHCGFSZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000049712985 179276907 /nfs/dbraw/zinc/27/69/07/179276907.db2.gz PRFUTTUEDNVVQT-JSGCOSHPSA-N 1 3 218.344 2.307 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000415009644 323152514 /nfs/dbraw/zinc/15/25/14/323152514.db2.gz GDPDHYFFKWDLCO-XWUBHJNHSA-N 1 3 218.344 2.115 20 0 BEADHO Cc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000105480760 179282152 /nfs/dbraw/zinc/28/21/52/179282152.db2.gz KZMIYWIKDADWTO-DZGCQCFKSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000105480760 179282156 /nfs/dbraw/zinc/28/21/56/179282156.db2.gz KZMIYWIKDADWTO-DZGCQCFKSA-N 1 3 232.371 2.425 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)C2CC2)C1 ZINC000151137315 192371258 /nfs/dbraw/zinc/37/12/58/192371258.db2.gz ZWAFCOFRNMHMNP-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO CCS[C@@H]1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C1 ZINC000592476756 347791494 /nfs/dbraw/zinc/79/14/94/347791494.db2.gz YQOSOLKYZUKUQU-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NCCC[N@H+](C)CC(C)C ZINC000593647110 347926039 /nfs/dbraw/zinc/92/60/39/347926039.db2.gz WJJXMMPBUDBPJV-QWHCGFSZSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@@H]1CC[C@@H]1NCCC[N@@H+](C)CC(C)C ZINC000593647110 347926041 /nfs/dbraw/zinc/92/60/41/347926041.db2.gz WJJXMMPBUDBPJV-QWHCGFSZSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]CCCN(C)CC(C)C ZINC000593647110 347926042 /nfs/dbraw/zinc/92/60/42/347926042.db2.gz WJJXMMPBUDBPJV-QWHCGFSZSA-N 1 3 244.448 2.448 20 0 BEADHO Cc1ccccc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000309003980 179337456 /nfs/dbraw/zinc/33/74/56/179337456.db2.gz STIVIZNYQUKWGV-PWSUYJOCSA-N 1 3 206.333 2.240 20 0 BEADHO CCC(CC)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130223103 535081249 /nfs/dbraw/zinc/08/12/49/535081249.db2.gz AMBGMZFHRRFJPT-CHWSQXEVSA-N 1 3 210.365 2.391 20 0 BEADHO CC(C)=CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623505663 362930270 /nfs/dbraw/zinc/93/02/70/362930270.db2.gz LGFMWZUWWSDHOV-LBPRGKRZSA-N 1 3 210.365 2.415 20 0 BEADHO CC(C)=CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505663 362930273 /nfs/dbraw/zinc/93/02/73/362930273.db2.gz LGFMWZUWWSDHOV-LBPRGKRZSA-N 1 3 210.365 2.415 20 0 BEADHO COC1([C@@H](C)[NH2+]C[C@H](C)CN(C)C)CCCC1 ZINC000421853145 192389741 /nfs/dbraw/zinc/38/97/41/192389741.db2.gz IPHBFUOETMMYHM-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000251681045 349173187 /nfs/dbraw/zinc/17/31/87/349173187.db2.gz ALEZIGMLRIHGLW-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO CCc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000252782509 349204284 /nfs/dbraw/zinc/20/42/84/349204284.db2.gz NJYPBLKGXSXSQP-QWRGUYRKSA-N 1 3 238.400 2.480 20 0 BEADHO CCC[NH+](CCC)C[C@H]1CCCCNC1 ZINC000308816210 538036214 /nfs/dbraw/zinc/03/62/14/538036214.db2.gz IMJCJBXEOFIEBV-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000388623662 349274630 /nfs/dbraw/zinc/27/46/30/349274630.db2.gz HZXHLGKKUQGSRF-LPWJVIDDSA-N 1 3 210.365 2.425 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000384029351 350124584 /nfs/dbraw/zinc/12/45/84/350124584.db2.gz BRQAFALETJUUNW-AGIUHOORSA-N 1 3 242.432 2.237 20 0 BEADHO C[C@H](C[NH2+][C@H](C)CC1CC1)CN1CCCC1 ZINC000132430049 191032860 /nfs/dbraw/zinc/03/28/60/191032860.db2.gz GKOBYFLVQYMMFP-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000427312573 191058636 /nfs/dbraw/zinc/05/86/36/191058636.db2.gz GOAPVRPPDAELQD-ZETCQYMHSA-N 1 3 246.232 2.282 20 0 BEADHO CCc1cnc(CNC2CCC([NH3+])CC2)s1 ZINC000220816222 350188409 /nfs/dbraw/zinc/18/84/09/350188409.db2.gz GOVIXQZYQYEZOW-UHFFFAOYSA-N 1 3 239.388 2.065 20 0 BEADHO C[C@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC000038040704 350302828 /nfs/dbraw/zinc/30/28/28/350302828.db2.gz MEGXRHSNYVQHTO-GFCCVEGCSA-N 1 3 218.344 2.132 20 0 BEADHO C[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040704 350302831 /nfs/dbraw/zinc/30/28/31/350302831.db2.gz MEGXRHSNYVQHTO-GFCCVEGCSA-N 1 3 218.344 2.132 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+]C1CCNCC1 ZINC000038041066 350302907 /nfs/dbraw/zinc/30/29/07/350302907.db2.gz RVOMLLLDISPJQE-JTQLQIEISA-N 1 3 224.373 2.021 20 0 BEADHO C[C@@H](Cc1cccs1)NC1CC[NH2+]CC1 ZINC000038041066 350302909 /nfs/dbraw/zinc/30/29/09/350302909.db2.gz RVOMLLLDISPJQE-JTQLQIEISA-N 1 3 224.373 2.021 20 0 BEADHO C[C@@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC000038040703 350302990 /nfs/dbraw/zinc/30/29/90/350302990.db2.gz MEGXRHSNYVQHTO-LBPRGKRZSA-N 1 3 218.344 2.132 20 0 BEADHO C[C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040703 350302991 /nfs/dbraw/zinc/30/29/91/350302991.db2.gz MEGXRHSNYVQHTO-LBPRGKRZSA-N 1 3 218.344 2.132 20 0 BEADHO CC(C)(C[NH2+]CC1(C)CC1)CN1CCCC1 ZINC000309341609 350322405 /nfs/dbraw/zinc/32/24/05/350322405.db2.gz KLPKTACOGHAEDD-UHFFFAOYSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](CCc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108265944 350347010 /nfs/dbraw/zinc/34/70/10/350347010.db2.gz DGNQKOXZPNHBLQ-BMFZPTHFSA-N 1 3 244.382 2.159 20 0 BEADHO C[C@@H](CCc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108265939 350347013 /nfs/dbraw/zinc/34/70/13/350347013.db2.gz DGNQKOXZPNHBLQ-CWRNSKLLSA-N 1 3 244.382 2.159 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538163 362957201 /nfs/dbraw/zinc/95/72/01/362957201.db2.gz YZOKCZUGVQIUDG-NNNHXZLVSA-N 1 3 210.365 2.415 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538163 362957203 /nfs/dbraw/zinc/95/72/03/362957203.db2.gz YZOKCZUGVQIUDG-NNNHXZLVSA-N 1 3 210.365 2.415 20 0 BEADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)COC(C)C)C1 ZINC000337308024 350572006 /nfs/dbraw/zinc/57/20/06/350572006.db2.gz SSIFMHYNRPMPMM-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)COC(C)C)C1 ZINC000337308024 350572010 /nfs/dbraw/zinc/57/20/10/350572010.db2.gz SSIFMHYNRPMPMM-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccccc1C ZINC000231443735 350624589 /nfs/dbraw/zinc/62/45/89/350624589.db2.gz ARGMJVRECRQJAU-NEPJUHHUSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000252703303 538099307 /nfs/dbraw/zinc/09/93/07/538099307.db2.gz SDFPXNQBIRETAY-XBFCOCLRSA-N 1 3 222.376 2.249 20 0 BEADHO CN(C[C@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000334620980 350726504 /nfs/dbraw/zinc/72/65/04/350726504.db2.gz HLFXYDNJFSFCJO-CYBMUJFWSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422792510 192470420 /nfs/dbraw/zinc/47/04/20/192470420.db2.gz XCWLPRWYHOQTSU-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000252731752 535157169 /nfs/dbraw/zinc/15/71/69/535157169.db2.gz RJYGCKZYEQMESY-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000252731752 535157174 /nfs/dbraw/zinc/15/71/74/535157174.db2.gz RJYGCKZYEQMESY-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000252731752 535157180 /nfs/dbraw/zinc/15/71/80/535157180.db2.gz RJYGCKZYEQMESY-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CCOc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414792640 351772398 /nfs/dbraw/zinc/77/23/98/351772398.db2.gz JERIWOHEYXIKJZ-UKRRQHHQSA-N 1 3 248.370 2.302 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000414792919 351772990 /nfs/dbraw/zinc/77/29/90/351772990.db2.gz JIWLQKJZWVLZOB-JSGCOSHPSA-N 1 3 236.334 2.351 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638338244 352158127 /nfs/dbraw/zinc/15/81/27/352158127.db2.gz UOEFKCAMYATAKF-QWRGUYRKSA-N 1 3 234.334 2.350 20 0 BEADHO CO[C@@](C)(CNCCC[N@H+](C)C(C)C)C1CC1 ZINC000638338520 352158784 /nfs/dbraw/zinc/15/87/84/352158784.db2.gz YALFBCWLRXMCAD-AWEZNQCLSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@](C)(CNCCC[N@@H+](C)C(C)C)C1CC1 ZINC000638338520 352158787 /nfs/dbraw/zinc/15/87/87/352158787.db2.gz YALFBCWLRXMCAD-AWEZNQCLSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@](C)(C[NH2+]CCCN(C)C(C)C)C1CC1 ZINC000638338520 352158790 /nfs/dbraw/zinc/15/87/90/352158790.db2.gz YALFBCWLRXMCAD-AWEZNQCLSA-N 1 3 242.407 2.121 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638376293 352186367 /nfs/dbraw/zinc/18/63/67/352186367.db2.gz JHSRVYWAXIVDSA-AIEDFZFUSA-N 1 3 234.387 2.249 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638376296 352186539 /nfs/dbraw/zinc/18/65/39/352186539.db2.gz JHSRVYWAXIVDSA-XLWJZTARSA-N 1 3 234.387 2.249 20 0 BEADHO CCN1CC[C@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638380691 352191199 /nfs/dbraw/zinc/19/11/99/352191199.db2.gz FDRIFCPBZLKPQA-MRXNPFEDSA-N 1 3 246.398 2.469 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408352 352213996 /nfs/dbraw/zinc/21/39/96/352213996.db2.gz AHEYAVYEWULFAT-TUAOUCFPSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408352 352213999 /nfs/dbraw/zinc/21/39/99/352213999.db2.gz AHEYAVYEWULFAT-TUAOUCFPSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC2(F)F)C1 ZINC000638408352 352214002 /nfs/dbraw/zinc/21/40/02/352214002.db2.gz AHEYAVYEWULFAT-TUAOUCFPSA-N 1 3 246.345 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638410236 352217621 /nfs/dbraw/zinc/21/76/21/352217621.db2.gz XRKAQNJBASTXQF-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000638409121 352218925 /nfs/dbraw/zinc/21/89/25/352218925.db2.gz JIAWTVFEPBANFB-XQQFMLRXSA-N 1 3 242.432 2.202 20 0 BEADHO CCN1CCC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638452317 352263363 /nfs/dbraw/zinc/26/33/63/352263363.db2.gz XCLAYRJMVFJIIB-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@@H]1CN ZINC000630074883 363158585 /nfs/dbraw/zinc/15/85/85/363158585.db2.gz BWSIEDPMSRPRGH-WFASDCNBSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1CN ZINC000630074883 363158590 /nfs/dbraw/zinc/15/85/90/363158590.db2.gz BWSIEDPMSRPRGH-WFASDCNBSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1C[NH3+] ZINC000630074883 363158593 /nfs/dbraw/zinc/15/85/93/363158593.db2.gz BWSIEDPMSRPRGH-WFASDCNBSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1CN ZINC000630074879 363159012 /nfs/dbraw/zinc/15/90/12/363159012.db2.gz BWSIEDPMSRPRGH-IUODEOHRSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1CN ZINC000630074879 363159017 /nfs/dbraw/zinc/15/90/17/363159017.db2.gz BWSIEDPMSRPRGH-IUODEOHRSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@@H]1CN(Cc2cccc3c2CCC3)C[C@H]1C[NH3+] ZINC000630074879 363159022 /nfs/dbraw/zinc/15/90/22/363159022.db2.gz BWSIEDPMSRPRGH-IUODEOHRSA-N 1 3 244.382 2.202 20 0 BEADHO CC[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000394010664 259426625 /nfs/dbraw/zinc/42/66/25/259426625.db2.gz DPPKLRGRZOSJRD-IHRRRGAJSA-N 1 3 248.370 2.270 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC000252958515 538103621 /nfs/dbraw/zinc/10/36/21/538103621.db2.gz SWIAYLRCUHHJGQ-RNJOBUHISA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC000252958515 538103623 /nfs/dbraw/zinc/10/36/23/538103623.db2.gz SWIAYLRCUHHJGQ-RNJOBUHISA-N 1 3 210.365 2.105 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000415011573 352546860 /nfs/dbraw/zinc/54/68/60/352546860.db2.gz QSYFVPQXSFYGIO-NWDGAFQWSA-N 1 3 206.333 2.129 20 0 BEADHO COC1([C@H](C)[NH2+]CC[C@@H]2CCCN2C)CCC1 ZINC000412026407 191239738 /nfs/dbraw/zinc/23/97/38/191239738.db2.gz SFFFXFRNNJKUTF-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@H](C)NCC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000412026407 191239741 /nfs/dbraw/zinc/23/97/41/191239741.db2.gz SFFFXFRNNJKUTF-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@H](C)NCC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000412026407 191239743 /nfs/dbraw/zinc/23/97/43/191239743.db2.gz SFFFXFRNNJKUTF-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)C1(OC)CCC1 ZINC000412025890 191240367 /nfs/dbraw/zinc/24/03/67/191240367.db2.gz QXYQEBLAKZUAFX-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412025890 191240368 /nfs/dbraw/zinc/24/03/68/191240368.db2.gz QXYQEBLAKZUAFX-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000334194652 352786957 /nfs/dbraw/zinc/78/69/57/352786957.db2.gz JBEKRPYCODLCOK-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000334194652 352786961 /nfs/dbraw/zinc/78/69/61/352786961.db2.gz JBEKRPYCODLCOK-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)C[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000355757826 188237321 /nfs/dbraw/zinc/23/73/21/188237321.db2.gz KOPKEYRHZUYTIB-GFCCVEGCSA-N 1 3 212.381 2.447 20 0 BEADHO COCCN(CC[C@H]1CCC[N@@H+]1C)CC(C)C ZINC000119167251 188247722 /nfs/dbraw/zinc/24/77/22/188247722.db2.gz AZGOHUZNRVOBDQ-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO COCCN(CC[C@H]1CCC[N@H+]1C)CC(C)C ZINC000119167251 188247724 /nfs/dbraw/zinc/24/77/24/188247724.db2.gz AZGOHUZNRVOBDQ-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO c1ccc2c(c1)CC([NH2+]CCCN1CCCC1)C2 ZINC000035658016 188254789 /nfs/dbraw/zinc/25/47/89/188254789.db2.gz XCCIMSXGOOPERZ-UHFFFAOYSA-N 1 3 244.382 2.229 20 0 BEADHO c1ccc2c(c1)CC(NCCC[NH+]1CCCC1)C2 ZINC000035658016 188254791 /nfs/dbraw/zinc/25/47/91/188254791.db2.gz XCCIMSXGOOPERZ-UHFFFAOYSA-N 1 3 244.382 2.229 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252128733 353296887 /nfs/dbraw/zinc/29/68/87/353296887.db2.gz KLFHTYXLSZCLRG-MELADBBJSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252128733 353296890 /nfs/dbraw/zinc/29/68/90/353296890.db2.gz KLFHTYXLSZCLRG-MELADBBJSA-N 1 3 224.392 2.354 20 0 BEADHO CCc1ccccc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252755950 353304401 /nfs/dbraw/zinc/30/44/01/353304401.db2.gz BPGOMUXXMHZNTA-GXTWGEPZSA-N 1 3 232.371 2.418 20 0 BEADHO Cc1ccc(CNCCCC[NH+](C)C)o1 ZINC000045598336 188325737 /nfs/dbraw/zinc/32/57/37/188325737.db2.gz WCRDGTVUNDJVLC-UHFFFAOYSA-N 1 3 210.321 2.019 20 0 BEADHO CC(C)C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000307808757 188337642 /nfs/dbraw/zinc/33/76/42/188337642.db2.gz MTJVPLFJLWRXMS-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000307808757 188337644 /nfs/dbraw/zinc/33/76/44/188337644.db2.gz MTJVPLFJLWRXMS-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000307808751 188337976 /nfs/dbraw/zinc/33/79/76/188337976.db2.gz MTJVPLFJLWRXMS-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000307808751 188337978 /nfs/dbraw/zinc/33/79/78/188337978.db2.gz MTJVPLFJLWRXMS-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CCCC[C@@H](CC)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085283173 538116147 /nfs/dbraw/zinc/11/61/47/538116147.db2.gz JKDGBULEUOPIDQ-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)(C[NH2+]CC1CC1)CN1CCCC1 ZINC000308883431 188341777 /nfs/dbraw/zinc/34/17/77/188341777.db2.gz UZNYFHYRODMNLC-UHFFFAOYSA-N 1 3 210.365 2.108 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000231347940 353595354 /nfs/dbraw/zinc/59/53/54/353595354.db2.gz PVMIUVLZYTZYJK-WQAKAFBOSA-N 1 3 234.368 2.226 20 0 BEADHO CC[C@](C)(C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106207 353621161 /nfs/dbraw/zinc/62/11/61/353621161.db2.gz XBUPFOKVWHUAPX-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@](C)(C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106207 353621165 /nfs/dbraw/zinc/62/11/65/353621165.db2.gz XBUPFOKVWHUAPX-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@](C)(CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106207 353621167 /nfs/dbraw/zinc/62/11/67/353621167.db2.gz XBUPFOKVWHUAPX-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO Fc1ccccc1CCN[C@H]1CCC[NH2+]CC1 ZINC000128854402 181012249 /nfs/dbraw/zinc/01/22/49/181012249.db2.gz BZJCLIUJWDEHCT-ZDUSSCGKSA-N 1 3 236.334 2.100 20 0 BEADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCSC1 ZINC000343610059 353932904 /nfs/dbraw/zinc/93/29/04/353932904.db2.gz YHJFIHWMUYOESA-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO C[C@H]1C[C@@H]1CN(C)CCC[NH+]1CCCC1 ZINC000343614026 353933809 /nfs/dbraw/zinc/93/38/09/353933809.db2.gz IPDSJZKCPKORNS-QWHCGFSZSA-N 1 3 210.365 2.060 20 0 BEADHO CCC(CC)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000231465316 363343953 /nfs/dbraw/zinc/34/39/53/363343953.db2.gz JZEIDQMRWCVKAX-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(CC)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000231465316 363343954 /nfs/dbraw/zinc/34/39/54/363343954.db2.gz JZEIDQMRWCVKAX-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743392 202017167 /nfs/dbraw/zinc/01/71/67/202017167.db2.gz XFZJFYVDUMPKFH-XQLPTFJDSA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743392 202017171 /nfs/dbraw/zinc/01/71/71/202017171.db2.gz XFZJFYVDUMPKFH-XQLPTFJDSA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743392 202017175 /nfs/dbraw/zinc/01/71/75/202017175.db2.gz XFZJFYVDUMPKFH-XQLPTFJDSA-N 1 3 234.387 2.249 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@@](C)(OC)C1CC1 ZINC000639175766 354206434 /nfs/dbraw/zinc/20/64/34/354206434.db2.gz PSJJBXCHWBLLDR-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@](C)(CC)OC ZINC000639176301 354220880 /nfs/dbraw/zinc/22/08/80/354220880.db2.gz UOSYXYNOGNSUMA-ZDUSSCGKSA-N 1 3 230.396 2.075 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CCC1(F)F ZINC000334685093 354431048 /nfs/dbraw/zinc/43/10/48/354431048.db2.gz VNEDBJLLOZSNGF-NEPJUHHUSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCC1(F)F ZINC000334685093 354431051 /nfs/dbraw/zinc/43/10/51/354431051.db2.gz VNEDBJLLOZSNGF-NEPJUHHUSA-N 1 3 246.345 2.448 20 0 BEADHO CC[C@@H](C)CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000233822529 363408431 /nfs/dbraw/zinc/40/84/31/363408431.db2.gz UCVOYEGZLKEYEY-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](CCN)[NH2+]C[C@@H](C)c1ccccc1 ZINC000235086303 363436628 /nfs/dbraw/zinc/43/66/28/363436628.db2.gz HABCSHOUUAXSHL-NEPJUHHUSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCCC1 ZINC000335197170 355030504 /nfs/dbraw/zinc/03/05/04/355030504.db2.gz RBMNJCASVNWZHE-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO COc1ccc([C@H](C)CN2CCC([NH3+])CC2)cc1 ZINC000346657060 355004813 /nfs/dbraw/zinc/00/48/13/355004813.db2.gz SXLVAPNKVKOAGA-GFCCVEGCSA-N 1 3 248.370 2.222 20 0 BEADHO Cc1cccc(CN2CCC(C[NH+](C)C)CC2)n1 ZINC000346637889 355014827 /nfs/dbraw/zinc/01/48/27/355014827.db2.gz DROJWPCYKQWYNM-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C1CC1[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335253587 355210720 /nfs/dbraw/zinc/21/07/20/355210720.db2.gz YJCOYMSYPQORNK-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO CCC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346997593 355196154 /nfs/dbraw/zinc/19/61/54/355196154.db2.gz XMERJWBPIGIDBO-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346997593 355196155 /nfs/dbraw/zinc/19/61/55/355196155.db2.gz XMERJWBPIGIDBO-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000347000069 355196774 /nfs/dbraw/zinc/19/67/74/355196774.db2.gz YKRJHKIOIJPCIJ-RBSFLKMASA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCNC3)C2)C1 ZINC000347000069 355196776 /nfs/dbraw/zinc/19/67/76/355196776.db2.gz YKRJHKIOIJPCIJ-RBSFLKMASA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@H](CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)OC ZINC000412975347 191346622 /nfs/dbraw/zinc/34/66/22/191346622.db2.gz FQWNLYLJSXVHRP-MELADBBJSA-N 1 3 242.407 2.216 20 0 BEADHO CC[C@H](CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)OC ZINC000412975347 191346624 /nfs/dbraw/zinc/34/66/24/191346624.db2.gz FQWNLYLJSXVHRP-MELADBBJSA-N 1 3 242.407 2.216 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)[C@H]1C[C@H]1C ZINC000414117316 191450342 /nfs/dbraw/zinc/45/03/42/191450342.db2.gz RVJGGNGKOPQGSN-QMVSFRDZSA-N 1 3 224.392 2.493 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC000352030397 134044963 /nfs/dbraw/zinc/04/49/63/134044963.db2.gz VTAMLQPSGYXJRA-QWHCGFSZSA-N 1 3 230.371 2.398 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352030397 134044964 /nfs/dbraw/zinc/04/49/64/134044964.db2.gz VTAMLQPSGYXJRA-QWHCGFSZSA-N 1 3 230.371 2.398 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414869621 191608464 /nfs/dbraw/zinc/60/84/64/191608464.db2.gz AYVDMCVRONKYEU-AYRXBEOTSA-N 1 3 232.371 2.363 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000414986062 191641689 /nfs/dbraw/zinc/64/16/89/191641689.db2.gz WXZMUTJMOGIIII-LLVKDONJSA-N 1 3 226.751 2.475 20 0 BEADHO CC(C)CC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034979 191658854 /nfs/dbraw/zinc/65/88/54/191658854.db2.gz KHIBRRHXGCQOQF-VQJWOFKYSA-N 1 3 236.403 2.399 20 0 BEADHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000350178612 355620368 /nfs/dbraw/zinc/62/03/68/355620368.db2.gz YVOPTYHEUBIMPD-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO CC[C@H]([NH2+]CCCN(C)C(C)C)C1CC1 ZINC000166568668 355694399 /nfs/dbraw/zinc/69/43/99/355694399.db2.gz RDXWWSFBUCLKJF-ZDUSSCGKSA-N 1 3 212.381 2.495 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639346655 355793095 /nfs/dbraw/zinc/79/30/95/355793095.db2.gz HUHHWKWZSLIQFD-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO CCC1([NH+](C)C)CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000639378189 355911162 /nfs/dbraw/zinc/91/11/62/355911162.db2.gz FAHVPWONPKWEMS-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CCC1(N(C)C)CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000639378189 355911165 /nfs/dbraw/zinc/91/11/65/355911165.db2.gz FAHVPWONPKWEMS-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CCc1ccc(CCN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861573 356099130 /nfs/dbraw/zinc/09/91/30/356099130.db2.gz KRIDWAGZXOIVOM-BBRMVZONSA-N 1 3 246.398 2.461 20 0 BEADHO Cc1cccc2c1ncc(C)c2NCCCC[NH3+] ZINC000420232422 192181084 /nfs/dbraw/zinc/18/10/84/192181084.db2.gz LXJXUVOATBBVIL-UHFFFAOYSA-N 1 3 243.354 2.424 20 0 BEADHO C[NH2+]C[C@H](C)CNc1ccnc2ccc(C)cc21 ZINC000420217904 192193521 /nfs/dbraw/zinc/19/35/21/192193521.db2.gz XUFBIKQGJNSTGO-LBPRGKRZSA-N 1 3 243.354 2.233 20 0 BEADHO CCc1ccccc1C[N@H+](C)C1CCNCC1 ZINC000420278250 192198917 /nfs/dbraw/zinc/19/89/17/192198917.db2.gz VEUMJIMXHIWDTJ-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1ccccc1C[N@@H+](C)C1CCNCC1 ZINC000420278250 192198919 /nfs/dbraw/zinc/19/89/19/192198919.db2.gz VEUMJIMXHIWDTJ-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000420281779 192200275 /nfs/dbraw/zinc/20/02/75/192200275.db2.gz AJWSCCZZTMMPFP-MELADBBJSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CCCc1ccncc1 ZINC000420287068 192202137 /nfs/dbraw/zinc/20/21/37/192202137.db2.gz HJJJJQGBJVFVJR-OAHLLOKOSA-N 1 3 249.402 2.319 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CCCc2ccncc2)C1 ZINC000420292679 192202517 /nfs/dbraw/zinc/20/25/17/192202517.db2.gz PVJXNQJUOOGUTD-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO CCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351731 192218214 /nfs/dbraw/zinc/21/82/14/192218214.db2.gz AFUMPMNYLJTOKZ-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420307714 192209765 /nfs/dbraw/zinc/20/97/65/192209765.db2.gz CDTUGCHEWSGGHJ-UONOGXRCSA-N 1 3 240.391 2.149 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420307714 192209766 /nfs/dbraw/zinc/20/97/66/192209766.db2.gz CDTUGCHEWSGGHJ-UONOGXRCSA-N 1 3 240.391 2.149 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CC[C@H]1CCCCO1 ZINC000420307714 192209768 /nfs/dbraw/zinc/20/97/68/192209768.db2.gz CDTUGCHEWSGGHJ-UONOGXRCSA-N 1 3 240.391 2.149 20 0 BEADHO CCc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420311395 192210620 /nfs/dbraw/zinc/21/06/20/192210620.db2.gz RBDVXMNDVUEMCZ-XHSDSOJGSA-N 1 3 244.382 2.418 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CCCc1ccncc1 ZINC000420314008 192212906 /nfs/dbraw/zinc/21/29/06/192212906.db2.gz KPVUCJCOSLERLT-OAHLLOKOSA-N 1 3 247.386 2.218 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420314008 192212909 /nfs/dbraw/zinc/21/29/09/192212909.db2.gz KPVUCJCOSLERLT-OAHLLOKOSA-N 1 3 247.386 2.218 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420314008 192212911 /nfs/dbraw/zinc/21/29/11/192212911.db2.gz KPVUCJCOSLERLT-OAHLLOKOSA-N 1 3 247.386 2.218 20 0 BEADHO Cc1ccc([C@]2(C)CC[N@@H+](C[C@@H](C)N)C2)cc1 ZINC000420357483 192219241 /nfs/dbraw/zinc/21/92/41/192219241.db2.gz HYDPUFQKESKLMN-UKRRQHHQSA-N 1 3 232.371 2.306 20 0 BEADHO Cc1ccc([C@]2(C)CC[N@H+](C[C@@H](C)N)C2)cc1 ZINC000420357483 192219244 /nfs/dbraw/zinc/21/92/44/192219244.db2.gz HYDPUFQKESKLMN-UKRRQHHQSA-N 1 3 232.371 2.306 20 0 BEADHO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)N ZINC000420356969 192220414 /nfs/dbraw/zinc/22/04/14/192220414.db2.gz HIDGLPDBINMSMK-RISCZKNCSA-N 1 3 218.344 2.171 20 0 BEADHO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)N ZINC000420356969 192220416 /nfs/dbraw/zinc/22/04/16/192220416.db2.gz HIDGLPDBINMSMK-RISCZKNCSA-N 1 3 218.344 2.171 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1F ZINC000420415727 192240687 /nfs/dbraw/zinc/24/06/87/192240687.db2.gz VDEJXEXJHUWWKI-ZJUUUORDSA-N 1 3 210.296 2.132 20 0 BEADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccccn1 ZINC000420419836 192240849 /nfs/dbraw/zinc/24/08/49/192240849.db2.gz XVSJDRGRCSPFHF-GFCCVEGCSA-N 1 3 233.359 2.122 20 0 BEADHO CC(C)C[N@H+](CCN)[C@H]1CCCc2cccnc21 ZINC000420381031 192232662 /nfs/dbraw/zinc/23/26/62/192232662.db2.gz XGGXITIJZNDOCP-AWEZNQCLSA-N 1 3 247.386 2.376 20 0 BEADHO CC(C)C[N@@H+](CCN)[C@H]1CCCc2cccnc21 ZINC000420381031 192232664 /nfs/dbraw/zinc/23/26/64/192232664.db2.gz XGGXITIJZNDOCP-AWEZNQCLSA-N 1 3 247.386 2.376 20 0 BEADHO C[C@H]1CSCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000190401196 356443145 /nfs/dbraw/zinc/44/31/45/356443145.db2.gz MHJLRLZVPMOKKX-OLZOCXBDSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H]1CSCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000190401196 356443149 /nfs/dbraw/zinc/44/31/49/356443149.db2.gz MHJLRLZVPMOKKX-OLZOCXBDSA-N 1 3 242.432 2.156 20 0 BEADHO CCc1ccc(C[NH2+]CC(C)(C)CN(C)C)cn1 ZINC000352245224 134118650 /nfs/dbraw/zinc/11/86/50/134118650.db2.gz FDLKWDPWINBHMV-UHFFFAOYSA-N 1 3 249.402 2.321 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000336197081 134127097 /nfs/dbraw/zinc/12/70/97/134127097.db2.gz KGEHHXQTCKIYLX-JSGCOSHPSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000336197081 134127098 /nfs/dbraw/zinc/12/70/98/134127098.db2.gz KGEHHXQTCKIYLX-JSGCOSHPSA-N 1 3 222.376 2.251 20 0 BEADHO CCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682114 356592778 /nfs/dbraw/zinc/59/27/78/356592778.db2.gz LDZZGDZKZWYQSG-UHFFFAOYSA-N 1 3 233.359 2.394 20 0 BEADHO CCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682114 356592779 /nfs/dbraw/zinc/59/27/79/356592779.db2.gz LDZZGDZKZWYQSG-UHFFFAOYSA-N 1 3 233.359 2.394 20 0 BEADHO CC[C@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683902 356599856 /nfs/dbraw/zinc/59/98/56/356599856.db2.gz NTXZCLYRMDRYAB-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO CC[C@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683902 356599859 /nfs/dbraw/zinc/59/98/59/356599859.db2.gz NTXZCLYRMDRYAB-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO Cc1ccsc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167608103 134153045 /nfs/dbraw/zinc/15/30/45/134153045.db2.gz DSFLDCQYYBKWSA-ZYHUDNBSSA-N 1 3 238.400 2.473 20 0 BEADHO CCc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000450333632 202132634 /nfs/dbraw/zinc/13/26/34/202132634.db2.gz QJLPMJXSXXSSDQ-ZDUSSCGKSA-N 1 3 247.386 2.422 20 0 BEADHO CCc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000450333632 202132639 /nfs/dbraw/zinc/13/26/39/202132639.db2.gz QJLPMJXSXXSSDQ-ZDUSSCGKSA-N 1 3 247.386 2.422 20 0 BEADHO CCC[C@@H](C)[C@H](CC)[NH2+]CCCNC ZINC000423199116 192624239 /nfs/dbraw/zinc/62/42/39/192624239.db2.gz JCLPXYJJCYKJJV-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCCNC2)C1 ZINC000257786749 538765863 /nfs/dbraw/zinc/76/58/63/538765863.db2.gz MJNAFIYCSVUAGF-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000257788957 538766572 /nfs/dbraw/zinc/76/65/72/538766572.db2.gz NZDCISWSDGIBJO-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCNC2)C1 ZINC000257788957 538766575 /nfs/dbraw/zinc/76/65/75/538766575.db2.gz NZDCISWSDGIBJO-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCNC2)C1 ZINC000257788957 538766581 /nfs/dbraw/zinc/76/65/81/538766581.db2.gz NZDCISWSDGIBJO-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CCc1ccc([C@@H](C)NCC[C@H]2CC[NH2+]C2)o1 ZINC000423243592 192648551 /nfs/dbraw/zinc/64/85/51/192648551.db2.gz GQUNFXLFCYNUED-VXGBXAGGSA-N 1 3 236.359 2.492 20 0 BEADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000423253798 192652584 /nfs/dbraw/zinc/65/25/84/192652584.db2.gz WIGWCJZQKSHGGK-RYUDHWBXSA-N 1 3 236.334 2.476 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000391456074 357129657 /nfs/dbraw/zinc/12/96/57/357129657.db2.gz JHTMPBHZVAIUHY-CHWSQXEVSA-N 1 3 222.376 2.426 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000391456079 357129875 /nfs/dbraw/zinc/12/98/75/357129875.db2.gz JHTMPBHZVAIUHY-QWHCGFSZSA-N 1 3 222.376 2.426 20 0 BEADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000628425751 357253164 /nfs/dbraw/zinc/25/31/64/357253164.db2.gz UKPSBFRIJFSKGT-CQSZACIVSA-N 1 3 248.370 2.214 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425710 357253556 /nfs/dbraw/zinc/25/35/56/357253556.db2.gz SNBGIOCXBXMITM-XGUBFFRZSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000423294812 192684494 /nfs/dbraw/zinc/68/44/94/192684494.db2.gz CUFCCGPWYUAFDK-UWVGGRQHSA-N 1 3 238.400 2.482 20 0 BEADHO CN(C)CCOCC[NH2+]CC1CCCCCC1 ZINC000231676466 357619975 /nfs/dbraw/zinc/61/99/75/357619975.db2.gz WTXDGCDBCXJYOG-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000189930617 357677125 /nfs/dbraw/zinc/67/71/25/357677125.db2.gz LGTXDMMDFNTHKC-ZDUSSCGKSA-N 1 3 244.423 2.057 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000189930617 357677128 /nfs/dbraw/zinc/67/71/28/357677128.db2.gz LGTXDMMDFNTHKC-ZDUSSCGKSA-N 1 3 244.423 2.057 20 0 BEADHO CC[C@H]([NH2+]CCCN(CC)CC)[C@H]1CCCO1 ZINC000191611562 357779009 /nfs/dbraw/zinc/77/90/09/357779009.db2.gz DYIQLGIZOCPFHD-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](NCCC[NH+](CC)CC)[C@H]1CCCO1 ZINC000191611562 357779011 /nfs/dbraw/zinc/77/90/11/357779011.db2.gz DYIQLGIZOCPFHD-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H]([NH2+]CCCN(CC)CC)[C@@H]1CCCO1 ZINC000191611534 357779103 /nfs/dbraw/zinc/77/91/03/357779103.db2.gz DYIQLGIZOCPFHD-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](NCCC[NH+](CC)CC)[C@@H]1CCCO1 ZINC000191611534 357779105 /nfs/dbraw/zinc/77/91/05/357779105.db2.gz DYIQLGIZOCPFHD-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH2+]CCNC[C@@H]1CCCC(C)(C)C1 ZINC000583740373 357931700 /nfs/dbraw/zinc/93/17/00/357931700.db2.gz VQQDBMABFOEOTA-GFCCVEGCSA-N 1 3 212.381 2.402 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000229692391 491119240 /nfs/dbraw/zinc/11/92/40/491119240.db2.gz HRPADKIECJKYNH-OCCSQVGLSA-N 1 3 224.392 2.495 20 0 BEADHO COCCCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860426 325318265 /nfs/dbraw/zinc/31/82/65/325318265.db2.gz XOEFTJGPHATTAO-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO COCCCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860426 325318267 /nfs/dbraw/zinc/31/82/67/325318267.db2.gz XOEFTJGPHATTAO-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO C[C@]1(CN2CCc3ccccc3CC2)CC[NH2+]C1 ZINC000079574153 358107253 /nfs/dbraw/zinc/10/72/53/358107253.db2.gz XOYJRYXYCNNZFW-INIZCTEOSA-N 1 3 244.382 2.087 20 0 BEADHO C[C@@]1(CN2CCc3ccccc3CC2)CC[NH2+]C1 ZINC000079574156 358107474 /nfs/dbraw/zinc/10/74/74/358107474.db2.gz XOYJRYXYCNNZFW-MRXNPFEDSA-N 1 3 244.382 2.087 20 0 BEADHO CC(C)C[C@@H](N)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000578206656 366390587 /nfs/dbraw/zinc/39/05/87/366390587.db2.gz ZWOFAOMDHGHHLS-UKRRQHHQSA-N 1 3 247.386 2.219 20 0 BEADHO C[C@H]([N@H+](C)C[C@@H]1CCCNC1)C(C)(C)C ZINC000042781603 358358793 /nfs/dbraw/zinc/35/87/93/358358793.db2.gz HJRDZGYJMGOCRP-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]([N@@H+](C)C[C@@H]1CCCNC1)C(C)(C)C ZINC000042781603 358358796 /nfs/dbraw/zinc/35/87/96/358358796.db2.gz HJRDZGYJMGOCRP-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO C([NH2+]C1CCN(C2CCCC2)CC1)C1CC1 ZINC000131819879 358696096 /nfs/dbraw/zinc/69/60/96/358696096.db2.gz ATDHIDTWCWKALJ-UHFFFAOYSA-N 1 3 222.376 2.393 20 0 BEADHO CC[C@H](C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000133231308 358748530 /nfs/dbraw/zinc/74/85/30/358748530.db2.gz RFVRDOPLGZFENV-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCCN1CC[C@@H](c2ccccc2)C1 ZINC000050600625 358734075 /nfs/dbraw/zinc/73/40/75/358734075.db2.gz TWLFPRBWCYLNLY-CQSZACIVSA-N 1 3 218.344 2.085 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCc2ccccc2C1 ZINC000396638407 358941320 /nfs/dbraw/zinc/94/13/20/358941320.db2.gz HFHSFEFSUZTZIA-MAZHCROVSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCc2ccccc2C1 ZINC000396638415 358941387 /nfs/dbraw/zinc/94/13/87/358941387.db2.gz HFHSFEFSUZTZIA-VBNZEHGJSA-N 1 3 244.382 2.274 20 0 BEADHO COC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C(C)C ZINC000246919322 359174605 /nfs/dbraw/zinc/17/46/05/359174605.db2.gz GAFVXZXCPXCIJJ-MJBXVCDLSA-N 1 3 242.407 2.120 20 0 BEADHO COC[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000246919322 359174609 /nfs/dbraw/zinc/17/46/09/359174609.db2.gz GAFVXZXCPXCIJJ-MJBXVCDLSA-N 1 3 242.407 2.120 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248067338 359253760 /nfs/dbraw/zinc/25/37/60/359253760.db2.gz MHCFSHBGKBZWGZ-MELADBBJSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248067338 359253763 /nfs/dbraw/zinc/25/37/63/359253763.db2.gz MHCFSHBGKBZWGZ-MELADBBJSA-N 1 3 224.392 2.449 20 0 BEADHO CCN1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@@H](C)C1 ZINC000247258307 359206296 /nfs/dbraw/zinc/20/62/96/359206296.db2.gz ZRMUKUDKAOYBNI-WFASDCNBSA-N 1 3 248.370 2.212 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CCC1 ZINC000423392095 192764235 /nfs/dbraw/zinc/76/42/35/192764235.db2.gz XLCQTPIPMGMLPB-DRZSPHRISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccc(F)cn1 ZINC000423438358 192769125 /nfs/dbraw/zinc/76/91/25/192769125.db2.gz RIPJGUXWZMHJBJ-QWRGUYRKSA-N 1 3 239.338 2.389 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C12CCCC2 ZINC000423453815 192776117 /nfs/dbraw/zinc/77/61/17/192776117.db2.gz YHCZLOGMNJERAV-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423470342 192784397 /nfs/dbraw/zinc/78/43/97/192784397.db2.gz PFTPWVSRNGPWAU-KBPBESRZSA-N 1 3 218.344 2.465 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379530567 359536836 /nfs/dbraw/zinc/53/68/36/359536836.db2.gz CJCXOFFQNDMWDE-RYUDHWBXSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCS[C@@H](C)CC1 ZINC000379530567 359536840 /nfs/dbraw/zinc/53/68/40/359536840.db2.gz CJCXOFFQNDMWDE-RYUDHWBXSA-N 1 3 230.421 2.187 20 0 BEADHO CSCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000169241579 359878657 /nfs/dbraw/zinc/87/86/57/359878657.db2.gz NORLPCYEWBZECI-NWDGAFQWSA-N 1 3 222.357 2.084 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+]C[C@@H]1CCCNC1 ZINC000087646533 359921795 /nfs/dbraw/zinc/92/17/95/359921795.db2.gz POLMTHHCHVPMGL-VXGBXAGGSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](Cc1cccs1)NC[C@@H]1CCC[NH2+]C1 ZINC000087646533 359921799 /nfs/dbraw/zinc/92/17/99/359921799.db2.gz POLMTHHCHVPMGL-VXGBXAGGSA-N 1 3 238.400 2.268 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCNC2)c1 ZINC000088162121 359938302 /nfs/dbraw/zinc/93/83/02/359938302.db2.gz OAHXYTBTFKEGSJ-OCCSQVGLSA-N 1 3 218.344 2.398 20 0 BEADHO C[N@H+](CCc1ccccc1)C[C@@H]1CCCNC1 ZINC000088195128 359941375 /nfs/dbraw/zinc/94/13/75/359941375.db2.gz DVHFBFHQNURUFK-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO C[N@@H+](CCc1ccccc1)C[C@@H]1CCCNC1 ZINC000088195128 359941377 /nfs/dbraw/zinc/94/13/77/359941377.db2.gz DVHFBFHQNURUFK-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000578756847 366639675 /nfs/dbraw/zinc/63/96/75/366639675.db2.gz YMXWLPAYEUHOJH-GHMZBOCLSA-N 1 3 239.388 2.183 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cscn1 ZINC000578757539 366640576 /nfs/dbraw/zinc/64/05/76/366640576.db2.gz PEKPZAZECRQVRP-JTQLQIEISA-N 1 3 237.372 2.104 20 0 BEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000578878481 366664624 /nfs/dbraw/zinc/66/46/24/366664624.db2.gz UWRFQHHHEZIXIY-YNEHKIRRSA-N 1 3 242.407 2.155 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089145569 359993057 /nfs/dbraw/zinc/99/30/57/359993057.db2.gz YJNWSRBUINMXBC-HIFRSBDPSA-N 1 3 248.370 2.042 20 0 BEADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccnc1 ZINC000089140097 359993120 /nfs/dbraw/zinc/99/31/20/359993120.db2.gz LKRGSACBTKPNEZ-OUCADQQQSA-N 1 3 233.359 2.250 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000089150544 359993849 /nfs/dbraw/zinc/99/38/49/359993849.db2.gz JERVFUSNRQGWOZ-ZFWWWQNUSA-N 1 3 248.370 2.173 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000089150542 359994028 /nfs/dbraw/zinc/99/40/28/359994028.db2.gz JERVFUSNRQGWOZ-HIFRSBDPSA-N 1 3 248.370 2.173 20 0 BEADHO COCc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000089149877 359994308 /nfs/dbraw/zinc/99/43/08/359994308.db2.gz ZCGAEWAIUHBVFQ-DOMZBBRYSA-N 1 3 248.370 2.050 20 0 BEADHO CCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090219447 360065715 /nfs/dbraw/zinc/06/57/15/360065715.db2.gz VDXFCZBOUYYXFI-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090219447 360065722 /nfs/dbraw/zinc/06/57/22/360065722.db2.gz VDXFCZBOUYYXFI-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090219447 360065729 /nfs/dbraw/zinc/06/57/29/360065729.db2.gz VDXFCZBOUYYXFI-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CCOCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093496276 360251679 /nfs/dbraw/zinc/25/16/79/360251679.db2.gz XGNGKMLKAWRKNJ-ZIAGYGMSSA-N 1 3 242.407 2.313 20 0 BEADHO COCC[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516654 360255632 /nfs/dbraw/zinc/25/56/32/360255632.db2.gz BFGHGHSGWPHYNT-MJBXVCDLSA-N 1 3 242.407 2.312 20 0 BEADHO Cc1ccc(CN(C)CC2CC[NH+](C)CC2)o1 ZINC000093088813 360216899 /nfs/dbraw/zinc/21/68/99/360216899.db2.gz CIAOKTOGJAIHOT-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO Cc1cncc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623475174 360421029 /nfs/dbraw/zinc/42/10/29/360421029.db2.gz CWZMNSJAMOQEFO-CQSZACIVSA-N 1 3 247.386 2.352 20 0 BEADHO C[C@@H](Cc1ccsc1)NCC1([NH3+])CCC1 ZINC000578976476 366684306 /nfs/dbraw/zinc/68/43/06/366684306.db2.gz OWZHSMDCAKWTNS-JTQLQIEISA-N 1 3 224.373 2.150 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000629407588 361055506 /nfs/dbraw/zinc/05/55/06/361055506.db2.gz FEKBEYQUKKYZEB-NAWOPXAZSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000629390215 361037621 /nfs/dbraw/zinc/03/76/21/361037621.db2.gz ANRDGSIDMLDRBB-QNWHQSFQSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000629390317 361038023 /nfs/dbraw/zinc/03/80/23/361038023.db2.gz NYJYNUFKNZOTCK-TUAOUCFPSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000629387890 361040136 /nfs/dbraw/zinc/04/01/36/361040136.db2.gz IAXNYGDBUGCTTQ-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)C[C@@H]1C ZINC000629408945 361057804 /nfs/dbraw/zinc/05/78/04/361057804.db2.gz DALAORDJZASFSE-DGAVXFQQSA-N 1 3 224.392 2.399 20 0 BEADHO c1ccc(C[C@H]2CCC[C@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000629409833 361059366 /nfs/dbraw/zinc/05/93/66/361059366.db2.gz QKVRXHYFZWJNQZ-BZUAXINKSA-N 1 3 244.382 2.349 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000629408690 361059793 /nfs/dbraw/zinc/05/97/93/361059793.db2.gz YQAPAEYPJJESOA-ZDEQEGDKSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000629527932 361135449 /nfs/dbraw/zinc/13/54/49/361135449.db2.gz JVBYZJDPGTZXIV-ITGHMWBKSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000629528096 361135603 /nfs/dbraw/zinc/13/56/03/361135603.db2.gz PDVBKCBFQDMUNG-XQQFMLRXSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H](NCCOCC[NH2+]C)c1ccsc1 ZINC000629530926 361145845 /nfs/dbraw/zinc/14/58/45/361145845.db2.gz VHPQNZDNFUMDDF-GFCCVEGCSA-N 1 3 242.388 2.025 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CC=CCC1 ZINC000629531541 361149291 /nfs/dbraw/zinc/14/92/91/361149291.db2.gz OJDQRRKFLCFWSR-RWMBFGLXSA-N 1 3 210.365 2.448 20 0 BEADHO CC(C)OC1CC(NCCC[N@H+](C)C(C)C)C1 ZINC000428270484 201004586 /nfs/dbraw/zinc/00/45/86/201004586.db2.gz ZFQHOTVYLOIGJX-UHFFFAOYSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC1CC(NCCC[N@@H+](C)C(C)C)C1 ZINC000428270484 201004589 /nfs/dbraw/zinc/00/45/89/201004589.db2.gz ZFQHOTVYLOIGJX-UHFFFAOYSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC1CC([NH2+]CCCN(C)C(C)C)C1 ZINC000428270484 201004590 /nfs/dbraw/zinc/00/45/90/201004590.db2.gz ZFQHOTVYLOIGJX-UHFFFAOYSA-N 1 3 242.407 2.262 20 0 BEADHO C[C@@H](NCC1CC(C)C1)[C@H]1CCCC[NH2+]1 ZINC000622044868 370674291 /nfs/dbraw/zinc/67/42/91/370674291.db2.gz WGGDSEXHQAMGHZ-POOIEITISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043654 370674659 /nfs/dbraw/zinc/67/46/59/370674659.db2.gz HBERAUSNUKQYJT-GMTAPVOTSA-N 1 3 232.318 2.009 20 0 BEADHO CC[C@H](Cc1cccs1)[NH2+]CC[C@H](C)N ZINC000622045618 370679520 /nfs/dbraw/zinc/67/95/20/370679520.db2.gz GMOWCNZCXVSJSM-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO CC[C@H](Cc1cccs1)NCC[C@H](C)[NH3+] ZINC000622045618 370679522 /nfs/dbraw/zinc/67/95/22/370679522.db2.gz GMOWCNZCXVSJSM-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629539164 361404597 /nfs/dbraw/zinc/40/45/97/361404597.db2.gz QVUYOWHLRHKYAU-UXXRCYHCSA-N 1 3 236.403 2.400 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629537699 361401528 /nfs/dbraw/zinc/40/15/28/361401528.db2.gz LKRPSDSCAAWKGZ-NWBUJAPZSA-N 1 3 210.365 2.138 20 0 BEADHO NC1(C[NH2+][C@H]2CCc3c2cccc3F)CCC1 ZINC000336250778 181332039 /nfs/dbraw/zinc/33/20/39/181332039.db2.gz SKPQENYLPHVTRZ-ZDUSSCGKSA-N 1 3 234.318 2.284 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CN)C[C@H]2C[C@H]2C1 ZINC000629539850 361412908 /nfs/dbraw/zinc/41/29/08/361412908.db2.gz RTAADEQEMGBWCC-RGDJUOJXSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000629546809 361428977 /nfs/dbraw/zinc/42/89/77/361428977.db2.gz QBMTXZAWZOOYET-UJPOAAIJSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C ZINC000629549016 361435759 /nfs/dbraw/zinc/43/57/59/361435759.db2.gz UJQNYZFWILOUOC-FRRDWIJNSA-N 1 3 210.365 2.461 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCC12CC2 ZINC000629555065 361435932 /nfs/dbraw/zinc/43/59/32/361435932.db2.gz QUFKRCRIJKRNOK-QJPTWQEYSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629553178 361437743 /nfs/dbraw/zinc/43/77/43/361437743.db2.gz LVEJYLCQJPMURG-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629553318 361439010 /nfs/dbraw/zinc/43/90/10/361439010.db2.gz JCLYVLMQJXVSEH-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC23CC3)C1 ZINC000629554431 361440135 /nfs/dbraw/zinc/44/01/35/361440135.db2.gz ITRBPWJYTSOFRO-JHJVBQTASA-N 1 3 222.376 2.426 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000629554434 361440159 /nfs/dbraw/zinc/44/01/59/361440159.db2.gz ITRBPWJYTSOFRO-XQQFMLRXSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@H]1CC[C@H](NC2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542615 361419232 /nfs/dbraw/zinc/41/92/32/361419232.db2.gz HCVFLMLLGOYKLK-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO C/C=C\C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000629595409 361482329 /nfs/dbraw/zinc/48/23/29/361482329.db2.gz OPHSVGUFXFFHMS-FGXVQYDJSA-N 1 3 222.376 2.274 20 0 BEADHO CCC(CC)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595834 361484015 /nfs/dbraw/zinc/48/40/15/361484015.db2.gz REBBXVKSVWCSQG-OKILXGFUSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000629593125 361485111 /nfs/dbraw/zinc/48/51/11/361485111.db2.gz DQLZPGVYVNHDNQ-JKJDWNRSSA-N 1 3 248.414 2.354 20 0 BEADHO CC(C)C[C@H]([NH3+])CNC[C@H](C)c1ccncc1 ZINC000629656142 361561412 /nfs/dbraw/zinc/56/14/12/361561412.db2.gz OBCYOXTVMCFQCZ-JSGCOSHPSA-N 1 3 235.375 2.148 20 0 BEADHO CCC(N)(CC)C[NH2+]CC1(OC)CCCC1 ZINC000629648389 361541221 /nfs/dbraw/zinc/54/12/21/361541221.db2.gz UZGSMRQCBQXWAA-UHFFFAOYSA-N 1 3 228.380 2.053 20 0 BEADHO CCC([NH3+])(CC)CNCC1(OC)CCCC1 ZINC000629648389 361541226 /nfs/dbraw/zinc/54/12/26/361541226.db2.gz UZGSMRQCBQXWAA-UHFFFAOYSA-N 1 3 228.380 2.053 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CN)C1 ZINC000435378810 201264659 /nfs/dbraw/zinc/26/46/59/201264659.db2.gz KAPBGEUSQXXVEV-ZFWWWQNUSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CN)C1 ZINC000435378810 201264663 /nfs/dbraw/zinc/26/46/63/201264663.db2.gz KAPBGEUSQXXVEV-ZFWWWQNUSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H](Cc1ccccc1)CN1CCC([NH3+])CC1 ZINC000435398007 201269332 /nfs/dbraw/zinc/26/93/32/201269332.db2.gz LYGBNGNJQJDUGP-CYBMUJFWSA-N 1 3 232.371 2.288 20 0 BEADHO CCCCOCCN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435629572 201279406 /nfs/dbraw/zinc/27/94/06/201279406.db2.gz ULFPIWCRDUTBRZ-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO CCN(CCC[NH2+]C)CCc1ccccc1 ZINC000435876248 201291398 /nfs/dbraw/zinc/29/13/98/201291398.db2.gz HPSQFIRZBNGAJQ-UHFFFAOYSA-N 1 3 220.360 2.161 20 0 BEADHO C[NH2+]CCCN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000435879358 201292781 /nfs/dbraw/zinc/29/27/81/201292781.db2.gz JPFYYYCEZVFKEA-UKRRQHHQSA-N 1 3 232.371 2.474 20 0 BEADHO C[NH2+]CCCN(C[C@@H]1CCCO1)C1CCCC1 ZINC000435881569 201295199 /nfs/dbraw/zinc/29/51/99/201295199.db2.gz VMTOSGCLSAVZDG-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966810 364377143 /nfs/dbraw/zinc/37/71/43/364377143.db2.gz RSMHJGLQGWUPSO-WOPDTQHZSA-N 1 3 210.365 2.295 20 0 BEADHO COC1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000573696562 364889993 /nfs/dbraw/zinc/88/99/93/364889993.db2.gz JVQFQZAPCNVPAG-YIFLHPOLSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](CCc1ccco1)NCC1([NH3+])CCC1 ZINC000573675800 364885490 /nfs/dbraw/zinc/88/54/90/364885490.db2.gz LLDXWFNGROPIDF-NSHDSACASA-N 1 3 222.332 2.072 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000446785324 541391349 /nfs/dbraw/zinc/39/13/49/541391349.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000446785324 541391352 /nfs/dbraw/zinc/39/13/52/541391352.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446785324 541391355 /nfs/dbraw/zinc/39/13/55/541391355.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446785324 541391357 /nfs/dbraw/zinc/39/13/57/541391357.db2.gz KYWFGCUGDAUKAW-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO NCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000336683197 181383722 /nfs/dbraw/zinc/38/37/22/181383722.db2.gz JPBHIDFZUHKVIP-LBPRGKRZSA-N 1 3 210.365 2.428 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)o1 ZINC000574563068 365087949 /nfs/dbraw/zinc/08/79/49/365087949.db2.gz NKRNUTSKEKENPO-TZMCWYRMSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000574563068 365087958 /nfs/dbraw/zinc/08/79/58/365087958.db2.gz NKRNUTSKEKENPO-TZMCWYRMSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc2nccc(NC[C@@H](C)[NH+](C)C)c2c1 ZINC000443429273 193021251 /nfs/dbraw/zinc/02/12/51/193021251.db2.gz KRZHWKBLGYIBNJ-GFCCVEGCSA-N 1 3 243.354 2.327 20 0 BEADHO N[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000579581005 366887180 /nfs/dbraw/zinc/88/71/80/366887180.db2.gz PAKQTYIDXMFCIQ-UKRRQHHQSA-N 1 3 245.370 2.260 20 0 BEADHO CCNCCC[NH2+][C@@H](C)C(C)(C)CC ZINC000581185086 367285663 /nfs/dbraw/zinc/28/56/63/367285663.db2.gz LFFJESZIHLECOP-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H](C[NH2+]CC1(C)CC1)CN1CCCCC1 ZINC000381332297 367383370 /nfs/dbraw/zinc/38/33/70/367383370.db2.gz UHFJIRPHGFBZPC-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000381358013 367388082 /nfs/dbraw/zinc/38/80/82/367388082.db2.gz DTBPOCUVBJMZJG-ZIAGYGMSSA-N 1 3 222.376 2.417 20 0 BEADHO CC[C@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000382526915 367533407 /nfs/dbraw/zinc/53/34/07/367533407.db2.gz BOXMJLABJLPPDS-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000382548865 367537232 /nfs/dbraw/zinc/53/72/32/367537232.db2.gz RPABIPHTZZBTEM-ZDUSSCGKSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000382604784 367548505 /nfs/dbraw/zinc/54/85/05/367548505.db2.gz VRIYZMDTRDOFGO-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C/C=C\c1ccccc1 ZINC000382670045 367553289 /nfs/dbraw/zinc/55/32/89/367553289.db2.gz FLAIQOKFGJKICM-DBVFPWQWSA-N 1 3 230.355 2.369 20 0 BEADHO CC[C@H]([NH2+]C1CCNCC1)C1CCCC1 ZINC000382784986 367555937 /nfs/dbraw/zinc/55/59/37/367555937.db2.gz JVVPUYKJTVIBEC-ZDUSSCGKSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)OCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000382801174 367559367 /nfs/dbraw/zinc/55/93/67/367559367.db2.gz KMKNUFGOAPBHKU-ZDUSSCGKSA-N 1 3 230.396 2.107 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383199940 367605941 /nfs/dbraw/zinc/60/59/41/367605941.db2.gz YVAOEPOSPBAXHI-QWRGUYRKSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H](CCC1CC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135659 367646695 /nfs/dbraw/zinc/64/66/95/367646695.db2.gz QPCCXMUIGAUDIN-MDZLAQPJSA-N 1 3 210.365 2.295 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227084604 181431981 /nfs/dbraw/zinc/43/19/81/181431981.db2.gz DUKTYZWRNQUQGG-XHSDSOJGSA-N 1 3 244.382 2.261 20 0 BEADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000384971930 367767981 /nfs/dbraw/zinc/76/79/81/367767981.db2.gz TWDUZEPHNBJHFC-DYEKYZERSA-N 1 3 240.391 2.015 20 0 BEADHO C[NH2+]CCC1CCN(Cc2ccncc2C)CC1 ZINC000385053323 367780126 /nfs/dbraw/zinc/78/01/26/367780126.db2.gz RJKYCOLYBNMSRS-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000581878550 367866181 /nfs/dbraw/zinc/86/61/81/367866181.db2.gz NYDVNYWJTDLHKD-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CSCC1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000385353617 367822121 /nfs/dbraw/zinc/82/21/21/367822121.db2.gz FYDUWFLMHRRKQF-BPCQOVAHSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](NC[C@@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386100087 367910873 /nfs/dbraw/zinc/91/08/73/367910873.db2.gz JQHZTZLVKPOQFY-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N[C@H]1CC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386103616 367913041 /nfs/dbraw/zinc/91/30/41/367913041.db2.gz KFOXVTHZSOXRRX-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@H](NC[C@H]2[NH2+]CCCC2(C)C)[C@H]1C ZINC000386192126 367927159 /nfs/dbraw/zinc/92/71/59/367927159.db2.gz DPIMOTBVENEMIT-MROQNXINSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H](NC[C@H]2[NH2+]CCCC2(C)C)[C@@H]1C ZINC000386192125 367927775 /nfs/dbraw/zinc/92/77/75/367927775.db2.gz DPIMOTBVENEMIT-FVCCEPFGSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](NC[C@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386013677 367897340 /nfs/dbraw/zinc/89/73/40/367897340.db2.gz NDNOJVJOBZDDPZ-IHRRRGAJSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H](NC[C@@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386013680 367897865 /nfs/dbraw/zinc/89/78/65/367897865.db2.gz NDNOJVJOBZDDPZ-MJBXVCDLSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H](NCC1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000386567244 367993617 /nfs/dbraw/zinc/99/36/17/367993617.db2.gz KNPUPANPQBIODX-WCQYABFASA-N 1 3 242.432 2.250 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000387155271 368072127 /nfs/dbraw/zinc/07/21/27/368072127.db2.gz QAVXEBPTMQLYIX-TUAOUCFPSA-N 1 3 208.349 2.036 20 0 BEADHO NCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000036732056 368268035 /nfs/dbraw/zinc/26/80/35/368268035.db2.gz LOLVEVOLHBFIPH-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@@H+](CC1CCCCC1)C1CC1 ZINC000036732056 368268040 /nfs/dbraw/zinc/26/80/40/368268040.db2.gz LOLVEVOLHBFIPH-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO [NH3+]CCCN(CC1CCCCC1)C1CC1 ZINC000036732056 368268044 /nfs/dbraw/zinc/26/80/44/368268044.db2.gz LOLVEVOLHBFIPH-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000086401888 368879692 /nfs/dbraw/zinc/87/96/92/368879692.db2.gz QISVAEBUPQPFHA-UONOGXRCSA-N 1 3 218.344 2.089 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccc2)C1 ZINC000086401888 368879698 /nfs/dbraw/zinc/87/96/98/368879698.db2.gz QISVAEBUPQPFHA-UONOGXRCSA-N 1 3 218.344 2.089 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000086401889 368880204 /nfs/dbraw/zinc/88/02/04/368880204.db2.gz QISVAEBUPQPFHA-KBPBESRZSA-N 1 3 218.344 2.089 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCc2ccccc2)C1 ZINC000086401889 368880205 /nfs/dbraw/zinc/88/02/05/368880205.db2.gz QISVAEBUPQPFHA-KBPBESRZSA-N 1 3 218.344 2.089 20 0 BEADHO Cc1cscc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000087309625 368891782 /nfs/dbraw/zinc/89/17/82/368891782.db2.gz IAONOMPNFUEJHQ-NEPJUHHUSA-N 1 3 224.373 2.416 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000084223076 368850997 /nfs/dbraw/zinc/85/09/97/368850997.db2.gz PXJDILBAPPDSFW-OCCSQVGLSA-N 1 3 222.376 2.140 20 0 BEADHO Cc1cc(C)c(CN2CCC(C[NH3+])CC2)c(C)n1 ZINC000631821501 368971592 /nfs/dbraw/zinc/97/15/92/368971592.db2.gz ZWUUZJPNWOUCBG-UHFFFAOYSA-N 1 3 247.386 2.178 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000623657109 368998123 /nfs/dbraw/zinc/99/81/23/368998123.db2.gz JWUZLTPSELDXBW-QWHCGFSZSA-N 1 3 242.432 2.061 20 0 BEADHO CC[C@@H]1OCC[C@H]1NC1CC[NH+](C(C)C)CC1 ZINC000459738889 203349802 /nfs/dbraw/zinc/34/98/02/203349802.db2.gz JWBCOCSDVFTILS-KGLIPLIRSA-N 1 3 240.391 2.016 20 0 BEADHO Cc1ccncc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459787781 203369585 /nfs/dbraw/zinc/36/95/85/203369585.db2.gz PYZXKVVUTDDLQU-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccncc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459787781 203369589 /nfs/dbraw/zinc/36/95/89/203369589.db2.gz PYZXKVVUTDDLQU-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO CCSCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252719757 370119508 /nfs/dbraw/zinc/11/95/08/370119508.db2.gz IVAVKVLVWCGJDV-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO COc1cccc([C@H](C)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000252763351 370125353 /nfs/dbraw/zinc/12/53/53/370125353.db2.gz HLUMIFWZKIFFGL-SGMGOOAPSA-N 1 3 248.370 2.425 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 ZINC000309635124 370237630 /nfs/dbraw/zinc/23/76/30/370237630.db2.gz MBNKKXNVLFCJNE-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO CC[NH2+]CC1CCN(Cc2ccnc(C)c2)CC1 ZINC000621774117 370519641 /nfs/dbraw/zinc/51/96/41/370519641.db2.gz KZBAKRCMIOKVEM-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO N[C@@]12CCC[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC000621779043 370528454 /nfs/dbraw/zinc/52/84/54/370528454.db2.gz YXGQNIDZNHJHRW-HUUCEWRRSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779043 370528458 /nfs/dbraw/zinc/52/84/58/370528458.db2.gz YXGQNIDZNHJHRW-HUUCEWRRSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@@]12CCC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000621779044 370528999 /nfs/dbraw/zinc/52/89/99/370528999.db2.gz YXGQNIDZNHJHRW-LSDHHAIUSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@@]12CCC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779044 370529002 /nfs/dbraw/zinc/52/90/02/370529002.db2.gz YXGQNIDZNHJHRW-LSDHHAIUSA-N 1 3 230.355 2.042 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)cc1 ZINC000621782846 370532605 /nfs/dbraw/zinc/53/26/05/370532605.db2.gz TVGOQMRIPVEGAX-JKSUJKDBSA-N 1 3 244.382 2.351 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)cc1 ZINC000621782846 370532608 /nfs/dbraw/zinc/53/26/08/370532608.db2.gz TVGOQMRIPVEGAX-JKSUJKDBSA-N 1 3 244.382 2.351 20 0 BEADHO C[C@H](NCC(C)(C)C[NH+](C)C)[C@H]1CCCCO1 ZINC000623849203 371123612 /nfs/dbraw/zinc/12/36/12/371123612.db2.gz YWZXEZLSBUQCQM-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H](C)[C@H]1CCCCO1 ZINC000623858809 371129236 /nfs/dbraw/zinc/12/92/36/371129236.db2.gz WOMFMHBBQFCXKY-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CCCCO1 ZINC000623858809 371129243 /nfs/dbraw/zinc/12/92/43/371129243.db2.gz WOMFMHBBQFCXKY-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623858809 371129249 /nfs/dbraw/zinc/12/92/49/371129249.db2.gz WOMFMHBBQFCXKY-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120036 371320112 /nfs/dbraw/zinc/32/01/12/371320112.db2.gz QEFGPVZCTRNONB-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO COCCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120524 371321538 /nfs/dbraw/zinc/32/15/38/371321538.db2.gz BBUYNTLIEVKNJV-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCC1 ZINC000624121368 371323040 /nfs/dbraw/zinc/32/30/40/371323040.db2.gz UTCUETFJAMOVIR-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123895 371324956 /nfs/dbraw/zinc/32/49/56/371324956.db2.gz SNBGIOCXBXMITM-XQLPTFJDSA-N 1 3 236.403 2.497 20 0 BEADHO CC1([NH3+])CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000631824819 372590706 /nfs/dbraw/zinc/59/07/06/372590706.db2.gz RANYKAJEHFNMBJ-SNVBAGLBSA-N 1 3 232.318 2.235 20 0 BEADHO CCc1cccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631837949 372628758 /nfs/dbraw/zinc/62/87/58/372628758.db2.gz HMWBIJGXNDHXGY-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c(C)s1 ZINC000631838400 372632046 /nfs/dbraw/zinc/63/20/46/372632046.db2.gz NPRBZFSBAVAZSQ-TVQRCGJNSA-N 1 3 238.400 2.392 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]Cc1ccccc1 ZINC000038458034 372642715 /nfs/dbraw/zinc/64/27/15/372642715.db2.gz CLMPJOHICGFIQG-CYBMUJFWSA-N 1 3 218.344 2.164 20 0 BEADHO c1ccc(CC[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)cc1 ZINC000631887132 372681150 /nfs/dbraw/zinc/68/11/50/372681150.db2.gz OCGUHYSEZDXCRR-CVEARBPZSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CC[N@H+]2CCC[C@@H]3CNCC[C@@H]32)cc1 ZINC000631887132 372681156 /nfs/dbraw/zinc/68/11/56/372681156.db2.gz OCGUHYSEZDXCRR-CVEARBPZSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CCN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887132 372681161 /nfs/dbraw/zinc/68/11/61/372681161.db2.gz OCGUHYSEZDXCRR-CVEARBPZSA-N 1 3 244.382 2.303 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H](C)CCC(F)(F)F ZINC000414958595 205793563 /nfs/dbraw/zinc/79/35/63/205793563.db2.gz PDZFZUPRGNOKGO-RKDXNWHRSA-N 1 3 226.286 2.305 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424381318 206038236 /nfs/dbraw/zinc/03/82/36/206038236.db2.gz YJXAVLUQEQUKPS-ZOBORPQBSA-N 1 3 222.376 2.282 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)c2ccccc21 ZINC000424378109 206040443 /nfs/dbraw/zinc/04/04/43/206040443.db2.gz SCQKFUVMMFOPEF-AGIUHOORSA-N 1 3 214.312 2.273 20 0 BEADHO CCC[N@H+](CC1CC1)C[C@H]1CCCNC1 ZINC000042491163 169137937 /nfs/dbraw/zinc/13/79/37/169137937.db2.gz BRTHZIPZORWRHM-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[N@@H+](CC1CC1)C[C@H]1CCCNC1 ZINC000042491163 169137939 /nfs/dbraw/zinc/13/79/39/169137939.db2.gz BRTHZIPZORWRHM-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[N@H+](Cc1cccc(O)c1)C1CCNCC1 ZINC000094681893 169176955 /nfs/dbraw/zinc/17/69/55/169176955.db2.gz GMPGBZNTCFPRAP-UHFFFAOYSA-N 1 3 248.370 2.356 20 0 BEADHO CCC[N@@H+](Cc1cccc(O)c1)C1CCNCC1 ZINC000094681893 169176958 /nfs/dbraw/zinc/17/69/58/169176958.db2.gz GMPGBZNTCFPRAP-UHFFFAOYSA-N 1 3 248.370 2.356 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)COC(C)C)C1 ZINC000337339612 169206226 /nfs/dbraw/zinc/20/62/26/169206226.db2.gz OSUIRJSHLPWNBR-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)COC(C)C)C1 ZINC000337339612 169206228 /nfs/dbraw/zinc/20/62/28/169206228.db2.gz OSUIRJSHLPWNBR-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337339612 169206229 /nfs/dbraw/zinc/20/62/29/169206229.db2.gz OSUIRJSHLPWNBR-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO c1cc(CNCCCCC[NH+]2CCCC2)ccn1 ZINC000293026946 183350726 /nfs/dbraw/zinc/35/07/26/183350726.db2.gz PJJSESJCHKMMQP-UHFFFAOYSA-N 1 3 247.386 2.437 20 0 BEADHO COC1CC([NH2+]CCCN2CCCC[C@H]2C)C1 ZINC000220828431 134315965 /nfs/dbraw/zinc/31/59/65/134315965.db2.gz XRQKTESGSFKJLW-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC(NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000220828431 134315966 /nfs/dbraw/zinc/31/59/66/134315966.db2.gz XRQKTESGSFKJLW-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC(NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000220828431 134315967 /nfs/dbraw/zinc/31/59/67/134315967.db2.gz XRQKTESGSFKJLW-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC([NH2+]CCCN2CCCC[C@@H]2C)C1 ZINC000220828357 134316121 /nfs/dbraw/zinc/31/61/21/134316121.db2.gz XRQKTESGSFKJLW-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC(NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000220828357 134316122 /nfs/dbraw/zinc/31/61/22/134316122.db2.gz XRQKTESGSFKJLW-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC(NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000220828357 134316123 /nfs/dbraw/zinc/31/61/23/134316123.db2.gz XRQKTESGSFKJLW-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO CC1(C)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000069793371 383846178 /nfs/dbraw/zinc/84/61/78/383846178.db2.gz JFSSCGNQBVCDDO-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CC1(C)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000069793371 383846180 /nfs/dbraw/zinc/84/61/80/383846180.db2.gz JFSSCGNQBVCDDO-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000401109887 383933241 /nfs/dbraw/zinc/93/32/41/383933241.db2.gz GXLWTLVBTGYFQI-YNEHKIRRSA-N 1 3 234.343 2.066 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC[C@H](C)O ZINC000227591088 134385383 /nfs/dbraw/zinc/38/53/83/134385383.db2.gz KIBVOUWEJBCZPR-RDBSUJKOSA-N 1 3 242.407 2.048 20 0 BEADHO c1ccc2c(c1)nccc2N[C@@H]1CCC[NH2+]C1 ZINC000071397614 383991877 /nfs/dbraw/zinc/99/18/77/383991877.db2.gz HQXHKNSAKUXKLN-LLVKDONJSA-N 1 3 227.311 2.399 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643546098 384016361 /nfs/dbraw/zinc/01/63/61/384016361.db2.gz IHIXTCBPLMOQKZ-PWSUYJOCSA-N 1 3 208.349 2.049 20 0 BEADHO COCCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546792 384021913 /nfs/dbraw/zinc/02/19/13/384021913.db2.gz UVYZNTUYNOAXHA-STQMWFEESA-N 1 3 240.391 2.066 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCCNC1 ZINC000643545149 384008347 /nfs/dbraw/zinc/00/83/47/384008347.db2.gz FUIVVCCBSVDPHV-VXGBXAGGSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1C[C@H]1C ZINC000643549014 384038399 /nfs/dbraw/zinc/03/83/99/384038399.db2.gz YYMQXTFLMZFURU-XQHKEYJVSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H](C[NH2+]Cc1ccn(C)c1)CN1CCCCC1 ZINC000091008675 384091642 /nfs/dbraw/zinc/09/16/42/384091642.db2.gz DYBVIJKIALEOIV-AWEZNQCLSA-N 1 3 249.402 2.237 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070748369 384136605 /nfs/dbraw/zinc/13/66/05/384136605.db2.gz CIAKVSYCOLMDBW-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccc(C)c(CNCCC[NH+]2CCC2)c1 ZINC000572616821 384168959 /nfs/dbraw/zinc/16/89/59/384168959.db2.gz FSWGUORUXLEIAA-UHFFFAOYSA-N 1 3 232.371 2.489 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236200813 384240054 /nfs/dbraw/zinc/24/00/54/384240054.db2.gz VSPMZFKYJCZFRG-YPMHNXCESA-N 1 3 222.376 2.284 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000082651679 384250730 /nfs/dbraw/zinc/25/07/30/384250730.db2.gz NZODXSLISIWFCF-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000082651679 384250737 /nfs/dbraw/zinc/25/07/37/384250737.db2.gz NZODXSLISIWFCF-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000082651678 384250944 /nfs/dbraw/zinc/25/09/44/384250944.db2.gz NZODXSLISIWFCF-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000082651678 384250950 /nfs/dbraw/zinc/25/09/50/384250950.db2.gz NZODXSLISIWFCF-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000082847463 384270858 /nfs/dbraw/zinc/27/08/58/384270858.db2.gz QPHIHXAIXWEZPP-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)(C)NCC[NH2+]CCc1ccc(F)cc1 ZINC000228727690 384315175 /nfs/dbraw/zinc/31/51/75/384315175.db2.gz NLMRCQRJEISMOF-UHFFFAOYSA-N 1 3 238.350 2.346 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@@H]2C)CO1 ZINC000401975653 384354822 /nfs/dbraw/zinc/35/48/22/384354822.db2.gz TYHVZPFCXWSQAL-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[C@H](C)C[N@H+](C)[C@H]1CCCNCC1 ZINC000300215117 384332301 /nfs/dbraw/zinc/33/23/01/384332301.db2.gz KPBLXDDUQMBHBY-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](C)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000300215117 384332307 /nfs/dbraw/zinc/33/23/07/384332307.db2.gz KPBLXDDUQMBHBY-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[NH+](C)CCCCNCc1cc(F)ccc1F ZINC000045598276 384399378 /nfs/dbraw/zinc/39/93/78/384399378.db2.gz SCMGNLNFUHKMNZ-UHFFFAOYSA-N 1 3 242.313 2.396 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccs1 ZINC000084215712 384376812 /nfs/dbraw/zinc/37/68/12/384376812.db2.gz BRXJBWRVKOKWHO-CMPLNLGQSA-N 1 3 224.373 2.355 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000236295603 384376853 /nfs/dbraw/zinc/37/68/53/384376853.db2.gz BLTQVEPPMJVNQZ-KGLIPLIRSA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC2Cc3ccccc3C2)C1 ZINC000236295603 384376857 /nfs/dbraw/zinc/37/68/57/384376857.db2.gz BLTQVEPPMJVNQZ-KGLIPLIRSA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccs1 ZINC000084215714 384377159 /nfs/dbraw/zinc/37/71/59/384377159.db2.gz BRXJBWRVKOKWHO-JQWIXIFHSA-N 1 3 224.373 2.355 20 0 BEADHO CC(C)C1([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000334195353 384388336 /nfs/dbraw/zinc/38/83/36/384388336.db2.gz KFACJIPGTSLVCL-STQMWFEESA-N 1 3 222.376 2.391 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000236327361 384388505 /nfs/dbraw/zinc/38/85/05/384388505.db2.gz BLTQVEPPMJVNQZ-UONOGXRCSA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1 ZINC000236327361 384388509 /nfs/dbraw/zinc/38/85/09/384388509.db2.gz BLTQVEPPMJVNQZ-UONOGXRCSA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc2[nH]ccc2c1 ZINC000569330262 384470873 /nfs/dbraw/zinc/47/08/73/384470873.db2.gz DYVQYGRAFVHQJS-ZFWWWQNUSA-N 1 3 243.354 2.180 20 0 BEADHO CN(CCC[NH+]1CCCC1)CC1CCC1 ZINC000161799097 384527328 /nfs/dbraw/zinc/52/73/28/384527328.db2.gz PFPGZLYJMLXIAL-UHFFFAOYSA-N 1 3 210.365 2.204 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000172197685 384549183 /nfs/dbraw/zinc/54/91/83/384549183.db2.gz LGNCCCZDXBVFCK-HNNXBMFYSA-N 1 3 232.371 2.379 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000172197685 384549191 /nfs/dbraw/zinc/54/91/91/384549191.db2.gz LGNCCCZDXBVFCK-HNNXBMFYSA-N 1 3 232.371 2.379 20 0 BEADHO CC1(C)CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000149500293 384555060 /nfs/dbraw/zinc/55/50/60/384555060.db2.gz UULGWAPPQIVTJV-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082836 384555142 /nfs/dbraw/zinc/55/51/42/384555142.db2.gz QEQXDSBBTJBWJZ-YUELXQCFSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082836 384555146 /nfs/dbraw/zinc/55/51/46/384555146.db2.gz QEQXDSBBTJBWJZ-YUELXQCFSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082835 384556634 /nfs/dbraw/zinc/55/66/34/384556634.db2.gz QEQXDSBBTJBWJZ-VHDGCEQUSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082835 384556641 /nfs/dbraw/zinc/55/66/41/384556641.db2.gz QEQXDSBBTJBWJZ-VHDGCEQUSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccnc1 ZINC000019905775 384556896 /nfs/dbraw/zinc/55/68/96/384556896.db2.gz OCPWLWRHJVJARF-LBPRGKRZSA-N 1 3 235.375 2.320 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000306049646 384570503 /nfs/dbraw/zinc/57/05/03/384570503.db2.gz VVGLVEWRQQBXLB-NEPJUHHUSA-N 1 3 246.345 2.353 20 0 BEADHO CC[C@](C)(C[NH2+]C[C@@H]1CCN(C(C)C)C1)OC ZINC000319894246 384572682 /nfs/dbraw/zinc/57/26/82/384572682.db2.gz PJQSRSISNFXFPI-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@](C)(CNC[C@@H]1CC[N@@H+](C(C)C)C1)OC ZINC000319894246 384572685 /nfs/dbraw/zinc/57/26/85/384572685.db2.gz PJQSRSISNFXFPI-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@](C)(CNC[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894246 384572689 /nfs/dbraw/zinc/57/26/89/384572689.db2.gz PJQSRSISNFXFPI-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1nc(C)c(C[NH2+]C[C@@H](C)CN(C)C)s1 ZINC000309786083 384608231 /nfs/dbraw/zinc/60/82/31/384608231.db2.gz SOUWZGRPSYDECY-SECBINFHSA-N 1 3 241.404 2.047 20 0 BEADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC000020523962 384618640 /nfs/dbraw/zinc/61/86/40/384618640.db2.gz NMYGGOLFSINENC-JZIBPQBNSA-N 1 3 245.370 2.357 20 0 BEADHO CCC[NH+]1CCC(NC[C@@H]2CCCCO2)CC1 ZINC000042225564 384633885 /nfs/dbraw/zinc/63/38/85/384633885.db2.gz DSTZCKFAOZXSPJ-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000041051478 384595688 /nfs/dbraw/zinc/59/56/88/384595688.db2.gz HBOUDVZSGHDZKQ-LBPRGKRZSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC12CCCC2)CN(C)C ZINC000309769737 384598330 /nfs/dbraw/zinc/59/83/30/384598330.db2.gz OJQTYSWHZLNCBE-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CN1CC=C(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000271809419 384647381 /nfs/dbraw/zinc/64/73/81/384647381.db2.gz KQHDQUCDKQEUKN-ZDUSSCGKSA-N 1 3 220.360 2.194 20 0 BEADHO CC[C@H](C)C[N@H+](CC)C[C@@H]1CCCNC1 ZINC000086437719 384651732 /nfs/dbraw/zinc/65/17/32/384651732.db2.gz LYOJSVUYWGMXOV-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@H](C)C[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000086437719 384651738 /nfs/dbraw/zinc/65/17/38/384651738.db2.gz LYOJSVUYWGMXOV-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CN(CCC[NH+]1CCCC1)CCC1CC1 ZINC000162616153 384653042 /nfs/dbraw/zinc/65/30/42/384653042.db2.gz RTBCQYJNNVWVAT-UHFFFAOYSA-N 1 3 210.365 2.204 20 0 BEADHO CN1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000044535269 384658278 /nfs/dbraw/zinc/65/82/78/384658278.db2.gz AWAOOBJZVPXAOG-NSHDSACASA-N 1 3 224.373 2.180 20 0 BEADHO Cc1ccccc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000044535118 384658543 /nfs/dbraw/zinc/65/85/43/384658543.db2.gz SCBSJXNDMCUQFA-CQSZACIVSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1ccccc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000044535118 384658550 /nfs/dbraw/zinc/65/85/50/384658550.db2.gz SCBSJXNDMCUQFA-CQSZACIVSA-N 1 3 232.371 2.426 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000556933996 384661455 /nfs/dbraw/zinc/66/14/55/384661455.db2.gz BFLAAUHXNHKLPV-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](CN)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000556932272 384661825 /nfs/dbraw/zinc/66/18/25/384661825.db2.gz NEOSOOUHKHOTIB-NWDGAFQWSA-N 1 3 212.381 2.387 20 0 BEADHO CC(F)(F)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000357718317 384683700 /nfs/dbraw/zinc/68/37/00/384683700.db2.gz VUOHEWMHNYBVDU-MNOVXSKESA-N 1 3 232.318 2.248 20 0 BEADHO CC(F)(F)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000357718317 384683703 /nfs/dbraw/zinc/68/37/03/384683703.db2.gz VUOHEWMHNYBVDU-MNOVXSKESA-N 1 3 232.318 2.248 20 0 BEADHO C[NH+]1CCC(NC/C=C/c2ccccc2)CC1 ZINC000051789937 384686477 /nfs/dbraw/zinc/68/64/77/384686477.db2.gz RLBYKWCLZPQJMP-VMPITWQZSA-N 1 3 230.355 2.384 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011888460 384707497 /nfs/dbraw/zinc/70/74/97/384707497.db2.gz TYMOOFGSAIJCFV-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011888460 384707500 /nfs/dbraw/zinc/70/75/00/384707500.db2.gz TYMOOFGSAIJCFV-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011888460 384707505 /nfs/dbraw/zinc/70/75/05/384707505.db2.gz TYMOOFGSAIJCFV-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1nccs1 ZINC000336662365 384714434 /nfs/dbraw/zinc/71/44/34/384714434.db2.gz CKAAWGCLKWEHFE-ZJUUUORDSA-N 1 3 227.377 2.311 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423220342 384778032 /nfs/dbraw/zinc/77/80/32/384778032.db2.gz YCQYVZZYHGJRFX-FRRDWIJNSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccc(C2(NCCC[NH3+])CCC2)c1 ZINC000647552952 384778662 /nfs/dbraw/zinc/77/86/62/384778662.db2.gz BUTVSQAYDFPWBD-UHFFFAOYSA-N 1 3 218.344 2.313 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2cnccc21 ZINC000647552024 384757027 /nfs/dbraw/zinc/75/70/27/384757027.db2.gz AOADMBAAVFLLTI-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H](NCC2CCC(F)CC2)C1 ZINC000647553298 384768873 /nfs/dbraw/zinc/76/88/73/384768873.db2.gz QFZQPSFRGKIELP-YWPUVAFDSA-N 1 3 228.355 2.102 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000126793014 384829382 /nfs/dbraw/zinc/82/93/82/384829382.db2.gz LLTNFRPXZNJWMF-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CCC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000310013059 384783667 /nfs/dbraw/zinc/78/36/67/384783667.db2.gz JMTKCPPXYJJJGY-GNRIBBGQSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000310013059 384783677 /nfs/dbraw/zinc/78/36/77/384783677.db2.gz JMTKCPPXYJJJGY-GNRIBBGQSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000310013059 384783682 /nfs/dbraw/zinc/78/36/82/384783682.db2.gz JMTKCPPXYJJJGY-GNRIBBGQSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1C[C@H]1C)CN1CCCCC1 ZINC000309740514 384784228 /nfs/dbraw/zinc/78/42/28/384784228.db2.gz HPMAKNMFHDYIJA-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1ccsc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000126771994 384805776 /nfs/dbraw/zinc/80/57/76/384805776.db2.gz CDXIMQUNQSOJCG-QWRGUYRKSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000126771994 384805778 /nfs/dbraw/zinc/80/57/78/384805778.db2.gz CDXIMQUNQSOJCG-QWRGUYRKSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000126771994 384805784 /nfs/dbraw/zinc/80/57/84/384805784.db2.gz CDXIMQUNQSOJCG-QWRGUYRKSA-N 1 3 224.373 2.226 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(CO)c1 ZINC000423376901 384848587 /nfs/dbraw/zinc/84/85/87/384848587.db2.gz JFWWSVNWHWOYPO-TUKIKUTGSA-N 1 3 248.370 2.099 20 0 BEADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403676244 384849007 /nfs/dbraw/zinc/84/90/07/384849007.db2.gz PBWZYZUYTGOSHZ-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO Fc1ccccc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000259056056 384950594 /nfs/dbraw/zinc/95/05/94/384950594.db2.gz QPSCWSCYDQFIMK-LBPRGKRZSA-N 1 3 236.334 2.305 20 0 BEADHO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000259034939 384953098 /nfs/dbraw/zinc/95/30/98/384953098.db2.gz OXGKRBDUDAVJHI-HUUCEWRRSA-N 1 3 248.370 2.445 20 0 BEADHO Fc1ccc(F)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000258967279 384955971 /nfs/dbraw/zinc/95/59/71/384955971.db2.gz JZZHYDNWWJNBDC-JTQLQIEISA-N 1 3 240.297 2.054 20 0 BEADHO Cc1ccc2nccc(N[C@@H](C)C[NH3+])c2c1 ZINC000257761428 384925479 /nfs/dbraw/zinc/92/54/79/384925479.db2.gz WNBMKRMMZYYGJD-JTQLQIEISA-N 1 3 215.300 2.302 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)CN(C)C ZINC000310254473 384927575 /nfs/dbraw/zinc/92/75/75/384927575.db2.gz OWADLSAUFKUFKO-RYUDHWBXSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)Oc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000258753307 384940818 /nfs/dbraw/zinc/94/08/18/384940818.db2.gz MGXKBIKGKWOSPQ-LBPRGKRZSA-N 1 3 236.359 2.158 20 0 BEADHO Cc1ccc(C)c(C[NH2+]CC(C)(C)N)c1 ZINC000258740947 384941111 /nfs/dbraw/zinc/94/11/11/384941111.db2.gz FSLIOFNXGOXAQT-UHFFFAOYSA-N 1 3 206.333 2.130 20 0 BEADHO CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000259266014 384960315 /nfs/dbraw/zinc/96/03/15/384960315.db2.gz ZLAUJSBLFKBHFV-KGLIPLIRSA-N 1 3 234.343 2.055 20 0 BEADHO Cc1ccccc1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000258898030 384944393 /nfs/dbraw/zinc/94/43/93/384944393.db2.gz HJOGCXPIHGSTFK-UONOGXRCSA-N 1 3 218.344 2.007 20 0 BEADHO Cc1ccccc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000258898029 384945493 /nfs/dbraw/zinc/94/54/93/384945493.db2.gz HJOGCXPIHGSTFK-KGLIPLIRSA-N 1 3 218.344 2.007 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058041120 384980388 /nfs/dbraw/zinc/98/03/88/384980388.db2.gz IMUMZPSUQCFIOJ-OCCSQVGLSA-N 1 3 218.344 2.246 20 0 BEADHO CC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000309088026 384985768 /nfs/dbraw/zinc/98/57/68/384985768.db2.gz BFALUAVBQGMRQW-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](CC)[NH2+]C[C@@H](C)CN(C)C ZINC000336681164 384994571 /nfs/dbraw/zinc/99/45/71/384994571.db2.gz HIMKVSUGUHINFC-NEPJUHHUSA-N 1 3 200.370 2.352 20 0 BEADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000518396290 385048366 /nfs/dbraw/zinc/04/83/66/385048366.db2.gz BTNVCBJTQYUILV-VXGBXAGGSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000518396286 385049547 /nfs/dbraw/zinc/04/95/47/385049547.db2.gz BTNVCBJTQYUILV-NEPJUHHUSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](N)C2(C)C)c1 ZINC000404781581 385059489 /nfs/dbraw/zinc/05/94/89/385059489.db2.gz NKGGWAXUSVIZLX-QWHCGFSZSA-N 1 3 218.344 2.210 20 0 BEADHO CC(C)[C@H]1CC[C@H]1[NH2+]CCCNC1CC1 ZINC000423550994 385024259 /nfs/dbraw/zinc/02/42/59/385024259.db2.gz IZQVWLCTPCVOSM-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@H]1C ZINC000309352607 385138664 /nfs/dbraw/zinc/13/86/64/385138664.db2.gz NJVAMISZMJEZFW-BJJPWKGXSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1C ZINC000309352607 385138668 /nfs/dbraw/zinc/13/86/68/385138668.db2.gz NJVAMISZMJEZFW-BJJPWKGXSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1C ZINC000309352607 385138671 /nfs/dbraw/zinc/13/86/71/385138671.db2.gz NJVAMISZMJEZFW-BJJPWKGXSA-N 1 3 222.376 2.247 20 0 BEADHO CC1(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479733 385156967 /nfs/dbraw/zinc/15/69/67/385156967.db2.gz RLARNLZFIJOVHU-OLZOCXBDSA-N 1 3 222.376 2.251 20 0 BEADHO C1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000106868882 385158501 /nfs/dbraw/zinc/15/85/01/385158501.db2.gz ZTUBPWUGZCJWMQ-QWHCGFSZSA-N 1 3 208.349 2.145 20 0 BEADHO Cc1nc(CN[C@H](C)CCCC[NH3+])cs1 ZINC000308811192 385179122 /nfs/dbraw/zinc/17/91/22/385179122.db2.gz HFVGMXHAVKUIIW-SECBINFHSA-N 1 3 227.377 2.059 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000346663857 385256205 /nfs/dbraw/zinc/25/62/05/385256205.db2.gz XDRUCEFOGTUPED-XJFOESAGSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000346663857 385256214 /nfs/dbraw/zinc/25/62/14/385256214.db2.gz XDRUCEFOGTUPED-XJFOESAGSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1CN ZINC000164647260 385227011 /nfs/dbraw/zinc/22/70/11/385227011.db2.gz OWAHAIVCQBLUKP-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1CN ZINC000164647260 385227017 /nfs/dbraw/zinc/22/70/17/385227017.db2.gz OWAHAIVCQBLUKP-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)CN(C)C ZINC000308881016 385235748 /nfs/dbraw/zinc/23/57/48/385235748.db2.gz UJVFUTQTIYIFQT-IJLUTSLNSA-N 1 3 212.381 2.208 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)CN(C)C ZINC000308881018 385236097 /nfs/dbraw/zinc/23/60/97/385236097.db2.gz UJVFUTQTIYIFQT-UTUOFQBUSA-N 1 3 212.381 2.208 20 0 BEADHO Cc1ccc([C@H](C)N[C@@H](C)CCC[NH3+])o1 ZINC000308895990 385250666 /nfs/dbraw/zinc/25/06/66/385250666.db2.gz ZJFNEFCDBRXVRS-ONGXEEELSA-N 1 3 210.321 2.366 20 0 BEADHO Cc1ccc(C)c(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000049256942 385308383 /nfs/dbraw/zinc/30/83/83/385308383.db2.gz BWYHOZAOONDVNR-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000308967762 385317813 /nfs/dbraw/zinc/31/78/13/385317813.db2.gz NORCMGYZHGIBCI-RYUDHWBXSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H]1CSC[C@@H]1C ZINC000308967762 385317817 /nfs/dbraw/zinc/31/78/17/385317817.db2.gz NORCMGYZHGIBCI-RYUDHWBXSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H]1CSC[C@@H]1C ZINC000308967762 385317819 /nfs/dbraw/zinc/31/78/19/385317819.db2.gz NORCMGYZHGIBCI-RYUDHWBXSA-N 1 3 230.421 2.058 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000647490890 385283261 /nfs/dbraw/zinc/28/32/61/385283261.db2.gz WZPHRBDLOQOUKY-GFCCVEGCSA-N 1 3 241.338 2.015 20 0 BEADHO C[C@@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000052334201 385288481 /nfs/dbraw/zinc/28/84/81/385288481.db2.gz GJQNFHQWNKCNOR-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH+]1CCC(NCC2(OC)CCC2)CC1 ZINC000162221615 385298363 /nfs/dbraw/zinc/29/83/63/385298363.db2.gz FZQCOJLTZVXRDH-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO Cc1cnccc1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000359478840 385369392 /nfs/dbraw/zinc/36/93/92/385369392.db2.gz GHVYGMONLJANBK-ZIAGYGMSSA-N 1 3 247.386 2.487 20 0 BEADHO CCSCC[NH2+]C[C@H]1CCCN(CC)C1 ZINC000309031106 385378453 /nfs/dbraw/zinc/37/84/53/385378453.db2.gz DVALDGBJSLEBDQ-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@H]1CCC[N@H+](CC)C1 ZINC000309031106 385378456 /nfs/dbraw/zinc/37/84/56/385378456.db2.gz DVALDGBJSLEBDQ-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@H]1CCC[N@@H+](CC)C1 ZINC000309031106 385378458 /nfs/dbraw/zinc/37/84/58/385378458.db2.gz DVALDGBJSLEBDQ-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CC(C)CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000106869000 385536229 /nfs/dbraw/zinc/53/62/29/385536229.db2.gz CFDIWLMPNAIRDQ-CHWSQXEVSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869000 385536233 /nfs/dbraw/zinc/53/62/33/385536233.db2.gz CFDIWLMPNAIRDQ-CHWSQXEVSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869000 385536237 /nfs/dbraw/zinc/53/62/37/385536237.db2.gz CFDIWLMPNAIRDQ-CHWSQXEVSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2ccccc21 ZINC000309338809 385538772 /nfs/dbraw/zinc/53/87/72/385538772.db2.gz KOJPZVQLOAFOAC-SMDDNHRTSA-N 1 3 218.344 2.248 20 0 BEADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)CN1CCCC1 ZINC000309346834 385546227 /nfs/dbraw/zinc/54/62/27/385546227.db2.gz MJJFXJNICYTMFC-AAVRWANBSA-N 1 3 224.392 2.352 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+](C)CCc1ccncc1 ZINC000181497601 385581847 /nfs/dbraw/zinc/58/18/47/385581847.db2.gz VGKNTIKTAWIGSF-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+](C)CCc1ccncc1 ZINC000181497601 385581849 /nfs/dbraw/zinc/58/18/49/385581849.db2.gz VGKNTIKTAWIGSF-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1cc(F)ccc1F ZINC000309488593 385609927 /nfs/dbraw/zinc/60/99/27/385609927.db2.gz XRMWZWWFTDEPAY-VIFPVBQESA-N 1 3 228.286 2.182 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000414850970 385646304 /nfs/dbraw/zinc/64/63/04/385646304.db2.gz ZWPSPBILWPUERV-QNWHQSFQSA-N 1 3 212.381 2.256 20 0 BEADHO CCC(CC)(CC)C[NH2+]CCCNC ZINC000391330799 385697316 /nfs/dbraw/zinc/69/73/16/385697316.db2.gz MPOPMLGYPBIBBH-UHFFFAOYSA-N 1 3 200.370 2.402 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](c1ccccc1)C1CC1 ZINC000336688913 385707162 /nfs/dbraw/zinc/70/71/62/385707162.db2.gz VWUNXRXGOFEUTB-RISCZKNCSA-N 1 3 218.344 2.322 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)CN(C)C ZINC000336688590 385710228 /nfs/dbraw/zinc/71/02/28/385710228.db2.gz LTWAWQVPIFLVHR-QWHCGFSZSA-N 1 3 210.365 2.130 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1CC=CCC1)CN(C)C ZINC000336688569 385710300 /nfs/dbraw/zinc/71/03/00/385710300.db2.gz LTWAWQVPIFLVHR-CHWSQXEVSA-N 1 3 210.365 2.130 20 0 BEADHO C[C@@H](C[NH2+]C[C@H]1CC=CCC1)CN(C)C ZINC000336688591 385711660 /nfs/dbraw/zinc/71/16/60/385711660.db2.gz LTWAWQVPIFLVHR-STQMWFEESA-N 1 3 210.365 2.130 20 0 BEADHO C[NH2+]CCCNCC[C@H](C)c1ccccc1 ZINC000414857560 385729296 /nfs/dbraw/zinc/72/92/96/385729296.db2.gz DZAWXANVBWDUPX-ZDUSSCGKSA-N 1 3 220.360 2.379 20 0 BEADHO CNCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000414857560 385729303 /nfs/dbraw/zinc/72/93/03/385729303.db2.gz DZAWXANVBWDUPX-ZDUSSCGKSA-N 1 3 220.360 2.379 20 0 BEADHO Cc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414858582 385735886 /nfs/dbraw/zinc/73/58/86/385735886.db2.gz SAVIIHZESYJWGW-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CNCCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414862056 385750307 /nfs/dbraw/zinc/75/03/07/385750307.db2.gz UMOYOZIBICCJSV-CYBMUJFWSA-N 1 3 220.360 2.064 20 0 BEADHO C[NH2+]CCCNC[C@H](C)Cc1ccccc1 ZINC000414862056 385750311 /nfs/dbraw/zinc/75/03/11/385750311.db2.gz UMOYOZIBICCJSV-CYBMUJFWSA-N 1 3 220.360 2.064 20 0 BEADHO CNCCC[NH2+][C@H](C)CCCC(C)C ZINC000414861376 385751574 /nfs/dbraw/zinc/75/15/74/385751574.db2.gz SCYOVCSVZPDRDT-GFCCVEGCSA-N 1 3 200.370 2.400 20 0 BEADHO CNCCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414861634 385751586 /nfs/dbraw/zinc/75/15/86/385751586.db2.gz SLZFSNRIMZIWDA-AWEZNQCLSA-N 1 3 234.387 2.454 20 0 BEADHO CC(C)C[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000336697917 385755056 /nfs/dbraw/zinc/75/50/56/385755056.db2.gz OLNSSCLEFZDSOX-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCCN[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414864695 385763808 /nfs/dbraw/zinc/76/38/08/385763808.db2.gz ZTXLLUGLWLVKKR-NWANDNLSSA-N 1 3 232.371 2.378 20 0 BEADHO CNCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414864695 385763814 /nfs/dbraw/zinc/76/38/14/385763814.db2.gz ZTXLLUGLWLVKKR-NWANDNLSSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](CCCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000414865319 385769094 /nfs/dbraw/zinc/76/90/94/385769094.db2.gz KPRAEVRKSKRUPO-ZJUUUORDSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@H](CCC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000414866235 385774454 /nfs/dbraw/zinc/77/44/54/385774454.db2.gz MRQZLSLYRHKZNB-RKDXNWHRSA-N 1 3 224.270 2.059 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414856880 385719466 /nfs/dbraw/zinc/71/94/66/385719466.db2.gz BENJJTNYAJBOFR-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO C[NH2+]CCCNC[C@@H](C)c1ccc(F)cc1 ZINC000414857974 385726989 /nfs/dbraw/zinc/72/69/89/385726989.db2.gz GYQKLMLREONKLB-LLVKDONJSA-N 1 3 224.323 2.128 20 0 BEADHO CNCCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414857974 385726991 /nfs/dbraw/zinc/72/69/91/385726991.db2.gz GYQKLMLREONKLB-LLVKDONJSA-N 1 3 224.323 2.128 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc(C(F)(F)F)cc1 ZINC000336691050 385727255 /nfs/dbraw/zinc/72/72/55/385727255.db2.gz HLSBAXFOWOYFTF-VIFPVBQESA-N 1 3 246.276 2.390 20 0 BEADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414857356 385727398 /nfs/dbraw/zinc/72/73/98/385727398.db2.gz CYXLWOTZJNQKIR-NSHDSACASA-N 1 3 240.778 2.470 20 0 BEADHO F[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000647799636 385800487 /nfs/dbraw/zinc/80/04/87/385800487.db2.gz NHLLTWVJQJOADL-UCEQBCCISA-N 1 3 226.339 2.140 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC000414947434 385803539 /nfs/dbraw/zinc/80/35/39/385803539.db2.gz KVBFWHLEHRSJIX-KCXAZCMYSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1C[C@@H](N[C@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414947434 385803541 /nfs/dbraw/zinc/80/35/41/385803541.db2.gz KVBFWHLEHRSJIX-KCXAZCMYSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)CN(C)C ZINC000336713390 385806485 /nfs/dbraw/zinc/80/64/85/385806485.db2.gz VLRRGEPZQAKKME-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)CC(F)F ZINC000647801452 385812072 /nfs/dbraw/zinc/81/20/72/385812072.db2.gz WDLZWMHOBGPAAW-DCAQKATOSA-N 1 3 234.334 2.255 20 0 BEADHO Cc1cc(CNC[C@H](C)C[NH3+])ccc1Cl ZINC000414869645 385838964 /nfs/dbraw/zinc/83/89/64/385838964.db2.gz BBDBRPCTJTZJPO-SECBINFHSA-N 1 3 226.751 2.333 20 0 BEADHO C[C@@H]([NH2+]CC1CCC(F)CC1)[C@@H]1CCCN1 ZINC000647804262 385840946 /nfs/dbraw/zinc/84/09/46/385840946.db2.gz MXEYPLSZVRMUNS-XVSSEFHLSA-N 1 3 228.355 2.245 20 0 BEADHO C[C@H]([NH2+]CC1CCC(F)CC1)[C@@H]1CCCN1 ZINC000647804261 385841212 /nfs/dbraw/zinc/84/12/12/385841212.db2.gz MXEYPLSZVRMUNS-WTIISPKJSA-N 1 3 228.355 2.245 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000414871021 385855654 /nfs/dbraw/zinc/85/56/54/385855654.db2.gz NIWACVXKPLQDDL-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCCCF)C1 ZINC000336706141 385792356 /nfs/dbraw/zinc/79/23/56/385792356.db2.gz RIDGGTQFTFPFKG-NWDGAFQWSA-N 1 3 216.344 2.185 20 0 BEADHO C[C@@H](C[NH2+]Cc1cccs1)CN(C)C ZINC000291713851 385892651 /nfs/dbraw/zinc/89/26/51/385892651.db2.gz LTRLNWJJKKXYBD-JTQLQIEISA-N 1 3 212.362 2.035 20 0 BEADHO CCCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000123649156 385899344 /nfs/dbraw/zinc/89/93/44/385899344.db2.gz YKQAFECUDOOMIC-GFCCVEGCSA-N 1 3 200.370 2.482 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414875694 385899472 /nfs/dbraw/zinc/89/94/72/385899472.db2.gz KHHKDUSDHNHNSP-KGYLQXTDSA-N 1 3 210.365 2.140 20 0 BEADHO COC[C@]1(CNC[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000414965504 385906033 /nfs/dbraw/zinc/90/60/33/385906033.db2.gz ZORDNHXXOCNVJC-ZIAGYGMSSA-N 1 3 242.407 2.027 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1C(C)C ZINC000414876380 385907282 /nfs/dbraw/zinc/90/72/82/385907282.db2.gz VTHFQUSULYUELM-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@H]1NC1Cc2ccccc2C1 ZINC000335040047 385930139 /nfs/dbraw/zinc/93/01/39/385930139.db2.gz OCCJYDYSFUIFSA-HZPDHXFCSA-N 1 3 244.382 2.403 20 0 BEADHO C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCN1 ZINC000335034839 385923030 /nfs/dbraw/zinc/92/30/30/385923030.db2.gz ZEXHFUVDUHCDFQ-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CCC[NH2+]CCNC[C@@H](C)CC(C)C ZINC000414877319 385924048 /nfs/dbraw/zinc/92/40/48/385924048.db2.gz XOBBIGIOZSPIPC-LBPRGKRZSA-N 1 3 200.370 2.258 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)NCC1([NH3+])CCC1 ZINC000414872029 385861602 /nfs/dbraw/zinc/86/16/02/385861602.db2.gz DXPPPWMEKSHKNQ-LLVKDONJSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000414872900 385871432 /nfs/dbraw/zinc/87/14/32/385871432.db2.gz GMSYFQZRABWBKM-WOPDTQHZSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H](C[NH3+])CNC/C=C\c1ccc(F)cc1F ZINC000414873338 385876064 /nfs/dbraw/zinc/87/60/64/385876064.db2.gz HBALOOYPVPGHLD-ZMWSMAPVSA-N 1 3 240.297 2.162 20 0 BEADHO CC1([NH3+])CCN(CCCc2ccccc2)CC1 ZINC000647926681 385982719 /nfs/dbraw/zinc/98/27/19/385982719.db2.gz IKVMGFSPRMTVIW-UHFFFAOYSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCCCC1 ZINC000335023350 385984880 /nfs/dbraw/zinc/98/48/80/385984880.db2.gz GTFDJBWASBJQJE-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414881052 385988716 /nfs/dbraw/zinc/98/87/16/385988716.db2.gz RWDUEMARWQFVED-RTXFEEFZSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414881058 385988881 /nfs/dbraw/zinc/98/88/81/385988881.db2.gz RWDUEMARWQFVED-WXHSDQCUSA-N 1 3 210.365 2.140 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C/c1ccccc1 ZINC000414972701 385988963 /nfs/dbraw/zinc/98/89/63/385988963.db2.gz BISNYNKZMUZTJA-YSKGHYERSA-N 1 3 204.317 2.027 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)N ZINC000335039255 385931494 /nfs/dbraw/zinc/93/14/94/385931494.db2.gz BJCGFDLMANAQRS-ZDUSSCGKSA-N 1 3 218.344 2.309 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041374 385934230 /nfs/dbraw/zinc/93/42/30/385934230.db2.gz PWPFXVMRJWBKHU-NWDGAFQWSA-N 1 3 224.735 2.309 20 0 BEADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N)CC2 ZINC000335043102 385936193 /nfs/dbraw/zinc/93/61/93/385936193.db2.gz NDAWMVLTGAODMP-ZDUSSCGKSA-N 1 3 218.344 2.309 20 0 BEADHO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000414878889 385943061 /nfs/dbraw/zinc/94/30/61/385943061.db2.gz HYVASTXUDFQHRO-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)CN ZINC000414879114 385948165 /nfs/dbraw/zinc/94/81/65/385948165.db2.gz PCGDSXCIRFPUNY-SRVKXCTJSA-N 1 3 200.370 2.386 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123931703 385950144 /nfs/dbraw/zinc/95/01/44/385950144.db2.gz IEXGJXYRDXFCCP-BDAKNGLRSA-N 1 3 224.270 2.046 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123931301 385950156 /nfs/dbraw/zinc/95/01/56/385950156.db2.gz IEXGJXYRDXFCCP-RKDXNWHRSA-N 1 3 224.270 2.046 20 0 BEADHO CCN(CC)CCC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000338305349 385953378 /nfs/dbraw/zinc/95/33/78/385953378.db2.gz KIDHSIWIIFOLOH-CHWSQXEVSA-N 1 3 212.381 2.306 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H](C)[C@H](C)C1 ZINC000338305349 385953385 /nfs/dbraw/zinc/95/33/85/385953385.db2.gz KIDHSIWIIFOLOH-CHWSQXEVSA-N 1 3 212.381 2.306 20 0 BEADHO Fc1cccc2c1CC[C@H]2NCC1=CC[NH2+]CC1 ZINC000335059763 385961706 /nfs/dbraw/zinc/96/17/06/385961706.db2.gz OXXYDLDACBBHLX-OAHLLOKOSA-N 1 3 246.329 2.322 20 0 BEADHO CC[NH+](CC)CCCN(C[C@H](C)OC)C(C)C ZINC000338312364 385964352 /nfs/dbraw/zinc/96/43/52/385964352.db2.gz ICASEHYLYPZRCZ-AWEZNQCLSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CCC[N@H+](C[C@H](C)OC)C(C)C ZINC000338312364 385964355 /nfs/dbraw/zinc/96/43/55/385964355.db2.gz ICASEHYLYPZRCZ-AWEZNQCLSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000338312364 385964357 /nfs/dbraw/zinc/96/43/57/385964357.db2.gz ICASEHYLYPZRCZ-AWEZNQCLSA-N 1 3 244.423 2.464 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013702 385968634 /nfs/dbraw/zinc/96/86/34/385968634.db2.gz OCMALXNFXVIBKP-DZGCQCFKSA-N 1 3 245.370 2.014 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)CN(C)C ZINC000336747383 385972290 /nfs/dbraw/zinc/97/22/90/385972290.db2.gz RYDYURLONHGEHM-XJFOESAGSA-N 1 3 224.392 2.352 20 0 BEADHO Fc1ccccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414971488 385973278 /nfs/dbraw/zinc/97/32/78/385973278.db2.gz LKFVZSVSOHKAAE-CYBMUJFWSA-N 1 3 236.334 2.448 20 0 BEADHO C[NH2+][C@@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000129124295 386030916 /nfs/dbraw/zinc/03/09/16/386030916.db2.gz IOAUEYUPBAHNRG-GFCCVEGCSA-N 1 3 241.338 2.341 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414977775 386036997 /nfs/dbraw/zinc/03/69/97/386036997.db2.gz KVBFWJGGPUMFNO-ZDUSSCGKSA-N 1 3 236.359 2.301 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C1CC1)CN(C)C ZINC000336749620 385996698 /nfs/dbraw/zinc/99/66/98/385996698.db2.gz UIGXOOCJHJODND-KWCYVHTRSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)=CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000335992349 386104016 /nfs/dbraw/zinc/10/40/16/386104016.db2.gz QUERXQZJXJSUCN-CYBMUJFWSA-N 1 3 210.365 2.369 20 0 BEADHO CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000335992349 386104024 /nfs/dbraw/zinc/10/40/24/386104024.db2.gz QUERXQZJXJSUCN-CYBMUJFWSA-N 1 3 210.365 2.369 20 0 BEADHO Cc1cnccc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000334455341 386105336 /nfs/dbraw/zinc/10/53/36/386105336.db2.gz OCOSGPUQOJNGBN-KGLIPLIRSA-N 1 3 245.370 2.453 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CNC1 ZINC000335030503 386064833 /nfs/dbraw/zinc/06/48/33/386064833.db2.gz QCSYZEHNMGILLR-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(C)c(CN[C@@H](C)CC[NH3+])cc1C ZINC000414886946 386087412 /nfs/dbraw/zinc/08/74/12/386087412.db2.gz QEQIBCGQQQZSRK-ZDUSSCGKSA-N 1 3 220.360 2.439 20 0 BEADHO NC[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659440 386088936 /nfs/dbraw/zinc/08/89/36/386088936.db2.gz SLNZADHNUGWEPX-SNPRPXQTSA-N 1 3 230.355 2.071 20 0 BEADHO NC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659440 386088941 /nfs/dbraw/zinc/08/89/41/386088941.db2.gz SLNZADHNUGWEPX-SNPRPXQTSA-N 1 3 230.355 2.071 20 0 BEADHO CCN(Cc1ccccc1C)C[C@@H]1CC[NH2+]C1 ZINC000647877336 386147277 /nfs/dbraw/zinc/14/72/77/386147277.db2.gz NZWYNFBCZCQPTQ-CQSZACIVSA-N 1 3 232.371 2.426 20 0 BEADHO C[C@H](CCc1ccsc1)NC[C@@H]([NH3+])C1CC1 ZINC000414891868 386149155 /nfs/dbraw/zinc/14/91/55/386149155.db2.gz OTDSKJMVJCQRJE-ZWNOBZJWSA-N 1 3 238.400 2.396 20 0 BEADHO Cc1cc(F)ccc1C[NH2+]CC1(N)CCC1 ZINC000414892661 386154888 /nfs/dbraw/zinc/15/48/88/386154888.db2.gz XHFNLRLWEWADBB-UHFFFAOYSA-N 1 3 222.307 2.105 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1 ZINC000414994090 386164168 /nfs/dbraw/zinc/16/41/68/386164168.db2.gz UFFILWIGJPRQQJ-GXFFZTMASA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccccc1C ZINC000414996330 386181111 /nfs/dbraw/zinc/18/11/11/386181111.db2.gz XNDGJVZJCJDJHN-OCCSQVGLSA-N 1 3 220.360 2.253 20 0 BEADHO CO[C@@H](C)C[N@H+](C[C@H](N)CC(C)C)C(C)C ZINC000414691395 386187370 /nfs/dbraw/zinc/18/73/70/386187370.db2.gz BOJXCHARHXUBSJ-QWHCGFSZSA-N 1 3 230.396 2.105 20 0 BEADHO CO[C@@H](C)C[N@@H+](C[C@H](N)CC(C)C)C(C)C ZINC000414691395 386187373 /nfs/dbraw/zinc/18/73/73/386187373.db2.gz BOJXCHARHXUBSJ-QWHCGFSZSA-N 1 3 230.396 2.105 20 0 BEADHO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCN ZINC000414669955 386134504 /nfs/dbraw/zinc/13/45/04/386134504.db2.gz CHAOAULEQAIYDW-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCN ZINC000414669955 386134507 /nfs/dbraw/zinc/13/45/07/386134507.db2.gz CHAOAULEQAIYDW-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000647874664 386142132 /nfs/dbraw/zinc/14/21/32/386142132.db2.gz KUMBBEGGYWAXCY-IUODEOHRSA-N 1 3 230.355 2.215 20 0 BEADHO C[C@H](CCN)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414891527 386143033 /nfs/dbraw/zinc/14/30/33/386143033.db2.gz ILSJYNNAPOKQIJ-UTLUCORTSA-N 1 3 238.297 2.434 20 0 BEADHO Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1C ZINC000235887595 386202003 /nfs/dbraw/zinc/20/20/03/386202003.db2.gz AVNCUALOUOMKAV-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@](C)(CN)C2)cc1C ZINC000235887595 386202008 /nfs/dbraw/zinc/20/20/08/386202008.db2.gz AVNCUALOUOMKAV-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@](C)(CN)C2)cc1C ZINC000235887595 386202010 /nfs/dbraw/zinc/20/20/10/386202010.db2.gz AVNCUALOUOMKAV-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO CCN(CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647880972 386202466 /nfs/dbraw/zinc/20/24/66/386202466.db2.gz KJVNAPZZPRXAMN-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO Cc1ccc2cc(CN[C@H](C)CC[NH3+])ccc2n1 ZINC000414896927 386210783 /nfs/dbraw/zinc/21/07/83/386210783.db2.gz QBHNUZTXWCMJHG-LLVKDONJSA-N 1 3 243.354 2.370 20 0 BEADHO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCN ZINC000414702796 386211291 /nfs/dbraw/zinc/21/12/91/386211291.db2.gz LXCUNFJNPDJMBZ-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCN ZINC000414702796 386211292 /nfs/dbraw/zinc/21/12/92/386211292.db2.gz LXCUNFJNPDJMBZ-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1C[C@H](c2ccccc2)CN1CCC[NH3+] ZINC000414702796 386211295 /nfs/dbraw/zinc/21/12/95/386211295.db2.gz LXCUNFJNPDJMBZ-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H](C)N ZINC000415000448 386223327 /nfs/dbraw/zinc/22/33/27/386223327.db2.gz BDFFPQADNYBIJB-TXBNAWBVSA-N 1 3 234.343 2.034 20 0 BEADHO COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H](C)N ZINC000415000450 386223964 /nfs/dbraw/zinc/22/39/64/386223964.db2.gz BDFFPQADNYBIJB-WAIVJAFWSA-N 1 3 234.343 2.034 20 0 BEADHO COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](CN)C2)cc1 ZINC000347046550 386228875 /nfs/dbraw/zinc/22/88/75/386228875.db2.gz OPMBRPUMWMMSBY-STQMWFEESA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](CN)C2)cc1 ZINC000347046550 386228879 /nfs/dbraw/zinc/22/88/79/386228879.db2.gz OPMBRPUMWMMSBY-STQMWFEESA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@@H](C)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000347046550 386228881 /nfs/dbraw/zinc/22/88/81/386228881.db2.gz OPMBRPUMWMMSBY-STQMWFEESA-N 1 3 248.370 2.079 20 0 BEADHO COc1c(C)cc(CN2CC[C@H](C[NH3+])C2)cc1C ZINC000347096013 386247023 /nfs/dbraw/zinc/24/70/23/386247023.db2.gz ITAJNOKAPPUJFS-CYBMUJFWSA-N 1 3 248.370 2.093 20 0 BEADHO C[C@@H]1CN(CCC[NH3+])CC[C@H]1c1ccccc1 ZINC000414718844 386250238 /nfs/dbraw/zinc/25/02/38/386250238.db2.gz ZTOKFJGVMVMGRD-UKRRQHHQSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H]1C[N@H+](CCCN)CC[C@H]1c1ccccc1 ZINC000414718844 386250242 /nfs/dbraw/zinc/25/02/42/386250242.db2.gz ZTOKFJGVMVMGRD-UKRRQHHQSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H]1C[N@@H+](CCCN)CC[C@H]1c1ccccc1 ZINC000414718844 386250243 /nfs/dbraw/zinc/25/02/43/386250243.db2.gz ZTOKFJGVMVMGRD-UKRRQHHQSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](CNC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000414895594 386193783 /nfs/dbraw/zinc/19/37/83/386193783.db2.gz YBRIYIXJOBGPAR-FZMZJTMJSA-N 1 3 218.344 2.117 20 0 BEADHO CC[C@@H]1Cc2ccccc2CN1CCC[NH3+] ZINC000414735079 386308126 /nfs/dbraw/zinc/30/81/26/386308126.db2.gz FONHTJUGFVQVLM-CQSZACIVSA-N 1 3 218.344 2.172 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000391466621 386325133 /nfs/dbraw/zinc/32/51/33/386325133.db2.gz QJAWKAMHTIVXGP-DGCLKSJQSA-N 1 3 222.376 2.284 20 0 BEADHO CCCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000415003892 386263997 /nfs/dbraw/zinc/26/39/97/386263997.db2.gz GRLXGVQRPWSPJE-NEPJUHHUSA-N 1 3 236.359 2.301 20 0 BEADHO CC[C@@H]1Cc2ccccc2CN1C[C@H]1CC[NH2+]C1 ZINC000647989243 386348732 /nfs/dbraw/zinc/34/87/32/386348732.db2.gz ZUUBRVLXARIXIJ-XJKSGUPXSA-N 1 3 244.382 2.433 20 0 BEADHO Cc1ccnc([C@H](C)NCC2CC[NH+](C)CC2)c1 ZINC000353520646 386351028 /nfs/dbraw/zinc/35/10/28/386351028.db2.gz OHOCNHSOSJWPNX-ZDUSSCGKSA-N 1 3 247.386 2.382 20 0 BEADHO C[C@@H]1[C@@H](c2ccccc2)CCN1C[C@H]1CC[NH2+]C1 ZINC000647889350 386360451 /nfs/dbraw/zinc/36/04/51/386360451.db2.gz JBTNKLCXSKJPCF-YCPHGPKFSA-N 1 3 244.382 2.474 20 0 BEADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000335275303 386332219 /nfs/dbraw/zinc/33/22/19/386332219.db2.gz AJYPEEICTLHGKD-ZIAGYGMSSA-N 1 3 236.334 2.494 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000230045724 386336686 /nfs/dbraw/zinc/33/66/86/386336686.db2.gz CJUGFXOBRUGASE-VHDGCEQUSA-N 1 3 248.345 2.385 20 0 BEADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1C ZINC000414908479 386398627 /nfs/dbraw/zinc/39/86/27/386398627.db2.gz BKXOZDUKMBFKHT-KBPBESRZSA-N 1 3 248.370 2.363 20 0 BEADHO [NH3+]CCCCNCc1cnc(C2CCC2)s1 ZINC000414909485 386410402 /nfs/dbraw/zinc/41/04/02/386410402.db2.gz RIBRJDSBIVSIDK-UHFFFAOYSA-N 1 3 239.388 2.239 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000093496300 386416135 /nfs/dbraw/zinc/41/61/35/386416135.db2.gz BOFCXGWBJPMSTJ-RDBSUJKOSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCNCC1 ZINC000335425448 386477021 /nfs/dbraw/zinc/47/70/21/386477021.db2.gz LPWGWWSCFFHHCV-GHMZBOCLSA-N 1 3 210.365 2.153 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345926 386488179 /nfs/dbraw/zinc/48/81/79/386488179.db2.gz YMAJJKXIYJALCK-FRRDWIJNSA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345926 386488188 /nfs/dbraw/zinc/48/81/88/386488188.db2.gz YMAJJKXIYJALCK-FRRDWIJNSA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345926 386488195 /nfs/dbraw/zinc/48/81/95/386488195.db2.gz YMAJJKXIYJALCK-FRRDWIJNSA-N 1 3 220.360 2.003 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415019254 386492626 /nfs/dbraw/zinc/49/26/26/386492626.db2.gz RTXIOLQVAGOQGQ-NEPJUHHUSA-N 1 3 248.370 2.301 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000415013472 386494764 /nfs/dbraw/zinc/49/47/64/386494764.db2.gz VCXFROPIGGKYQN-VXGBXAGGSA-N 1 3 236.359 2.299 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000415013470 386495716 /nfs/dbraw/zinc/49/57/16/386495716.db2.gz VCXFROPIGGKYQN-NWDGAFQWSA-N 1 3 236.359 2.299 20 0 BEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1Cl ZINC000415014966 386500407 /nfs/dbraw/zinc/50/04/07/386500407.db2.gz MOGCKIWEQVUINL-ZJUUUORDSA-N 1 3 226.751 2.474 20 0 BEADHO CC(C)(CCC[NH3+])[NH2+]Cc1cc([O-])cc(F)c1 ZINC000415014524 386500542 /nfs/dbraw/zinc/50/05/42/386500542.db2.gz MMWNNOUYNJNZOQ-UHFFFAOYSA-N 1 3 240.322 2.138 20 0 BEADHO CCCc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000415016649 386502480 /nfs/dbraw/zinc/50/24/80/386502480.db2.gz OISHPWUDBVHMRP-NEPJUHHUSA-N 1 3 220.360 2.464 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC/C=C/c1ccccc1 ZINC000414787880 386529709 /nfs/dbraw/zinc/52/97/09/386529709.db2.gz CVORLGAERQDORQ-QKNOVVFDSA-N 1 3 230.355 2.417 20 0 BEADHO C[C@@H]1CCCC[C@H]1CN(C)C1CC([NH3+])C1 ZINC000394819237 386529786 /nfs/dbraw/zinc/52/97/86/386529786.db2.gz FYPMAOMDMMEZSV-IALDZJHCSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H](CCc1ccccc1)CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021656 386510805 /nfs/dbraw/zinc/51/08/05/386510805.db2.gz CHUUTTVOLYCEQR-OJLVUWQFSA-N 1 3 244.382 2.063 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415022586 386511644 /nfs/dbraw/zinc/51/16/44/386511644.db2.gz VPHULTDLTHDORR-MNOVXSKESA-N 1 3 218.344 2.389 20 0 BEADHO c1ccc([C@@H]2CCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415029291 386516137 /nfs/dbraw/zinc/51/61/37/386516137.db2.gz CMFLEJKPDFSBGC-AALSBFMBSA-N 1 3 242.366 2.130 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000414786467 386525765 /nfs/dbraw/zinc/52/57/65/386525765.db2.gz BHBPFGFGMCGDCL-CABCVRRESA-N 1 3 232.371 2.117 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000415010354 386455504 /nfs/dbraw/zinc/45/55/04/386455504.db2.gz OYWILMCAJZEGFN-MNOVXSKESA-N 1 3 229.327 2.060 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@H](C)Cc1ccccc1 ZINC000414801015 386591453 /nfs/dbraw/zinc/59/14/53/386591453.db2.gz SUNLWVPYHZRKPB-HIFRSBDPSA-N 1 3 234.387 2.438 20 0 BEADHO Cc1cccc(C)c1CC[NH2+]C[C@H]1CCCNC1 ZINC000415081588 386592319 /nfs/dbraw/zinc/59/23/19/386592319.db2.gz KKODZDHSCCUDNY-HNNXBMFYSA-N 1 3 246.398 2.435 20 0 BEADHO Cc1cccc(C)c1CCNC[C@H]1CCC[NH2+]C1 ZINC000415081588 386592324 /nfs/dbraw/zinc/59/23/24/386592324.db2.gz KKODZDHSCCUDNY-HNNXBMFYSA-N 1 3 246.398 2.435 20 0 BEADHO CC(C)([NH3+])CNCCc1cccc(Cl)c1 ZINC000415083842 386595833 /nfs/dbraw/zinc/59/58/33/386595833.db2.gz FWKAEOWFEMORGK-UHFFFAOYSA-N 1 3 226.751 2.209 20 0 BEADHO CSc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000414788363 386531437 /nfs/dbraw/zinc/53/14/37/386531437.db2.gz DLFMQIRXHGMJJA-ZDUSSCGKSA-N 1 3 238.400 2.481 20 0 BEADHO CC[C@H](C)C[C@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045075 386532460 /nfs/dbraw/zinc/53/24/60/386532460.db2.gz VSRVTJDVWDMJPV-JZRPKSSGSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H](C[C@@H](C)CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045077 386532488 /nfs/dbraw/zinc/53/24/88/386532488.db2.gz VSRVTJDVWDMJPV-OBPIAQAESA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)C[C@H](C)C[NH2+]CCCNC1CC1 ZINC000415064550 386543277 /nfs/dbraw/zinc/54/32/77/386543277.db2.gz CVOAQARYCMUQBO-LBPRGKRZSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCC1 ZINC000414918541 386546568 /nfs/dbraw/zinc/54/65/68/386546568.db2.gz UTTMZOABGIYFFC-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)[C@H](N)C[NH2+]C/C=C\c1ccccc1 ZINC000414791694 386550433 /nfs/dbraw/zinc/55/04/33/386550433.db2.gz IFPGLXGBHHOFRN-DEBLGDTFSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@@H](CCC1CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000415070317 386555012 /nfs/dbraw/zinc/55/50/12/386555012.db2.gz IFEDAHNWTXPLKG-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cccc(C[NH2+]C[C@H](N)C(C)C)c1C ZINC000414794839 386562044 /nfs/dbraw/zinc/56/20/44/386562044.db2.gz MGUUBVUCDDMQKI-AWEZNQCLSA-N 1 3 220.360 2.376 20 0 BEADHO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCNC1 ZINC000415113012 386619883 /nfs/dbraw/zinc/61/98/83/386619883.db2.gz WAQKPITYUPOCQI-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415121519 386632543 /nfs/dbraw/zinc/63/25/43/386632543.db2.gz IJNQUQJOXFRXAN-GJZGRUSLSA-N 1 3 232.371 2.331 20 0 BEADHO CNCCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415121519 386632548 /nfs/dbraw/zinc/63/25/48/386632548.db2.gz IJNQUQJOXFRXAN-GJZGRUSLSA-N 1 3 232.371 2.331 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415121519 386632553 /nfs/dbraw/zinc/63/25/53/386632553.db2.gz IJNQUQJOXFRXAN-GJZGRUSLSA-N 1 3 232.371 2.331 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC12CCC2)CN(C)C ZINC000336758915 386644282 /nfs/dbraw/zinc/64/42/82/386644282.db2.gz KXQGXZKTUSBWMS-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO CCC(N)(CC)C[NH2+][C@@H](COC)CC(C)C ZINC000414816251 386651667 /nfs/dbraw/zinc/65/16/67/386651667.db2.gz ZQPQRURSTJDGAV-GFCCVEGCSA-N 1 3 230.396 2.155 20 0 BEADHO CCC([NH3+])(CC)CN[C@@H](COC)CC(C)C ZINC000414816251 386651672 /nfs/dbraw/zinc/65/16/72/386651672.db2.gz ZQPQRURSTJDGAV-GFCCVEGCSA-N 1 3 230.396 2.155 20 0 BEADHO CCC(N)(CC)C[NH2+][C@H](COC)CC(C)C ZINC000414816252 386651799 /nfs/dbraw/zinc/65/17/99/386651799.db2.gz ZQPQRURSTJDGAV-LBPRGKRZSA-N 1 3 230.396 2.155 20 0 BEADHO CCC([NH3+])(CC)CN[C@H](COC)CC(C)C ZINC000414816252 386651804 /nfs/dbraw/zinc/65/18/04/386651804.db2.gz ZQPQRURSTJDGAV-LBPRGKRZSA-N 1 3 230.396 2.155 20 0 BEADHO Cc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000415085437 386601207 /nfs/dbraw/zinc/60/12/07/386601207.db2.gz IEQUUNLPLJOHHA-ZBFHGGJFSA-N 1 3 246.398 2.434 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1 ZINC000414805461 386603132 /nfs/dbraw/zinc/60/31/32/386603132.db2.gz YNSPLXAMGPMCAL-BXUZGUMPSA-N 1 3 238.350 2.330 20 0 BEADHO CCCC[C@@H](C[NH3+])N[C@@H](COC)CC(C)C ZINC000414805737 386605583 /nfs/dbraw/zinc/60/55/83/386605583.db2.gz AQJXJJGRVVGRJL-QWHCGFSZSA-N 1 3 230.396 2.155 20 0 BEADHO CC(C)([NH3+])CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000415108047 386617421 /nfs/dbraw/zinc/61/74/21/386617421.db2.gz ONZJMJUVTPYVLH-NWDGAFQWSA-N 1 3 210.365 2.282 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@H](C2CC2)C1 ZINC000414821368 386677261 /nfs/dbraw/zinc/67/72/61/386677261.db2.gz DVKRWCCGCAGNHM-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO C([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCNC1 ZINC000335519372 386657053 /nfs/dbraw/zinc/65/70/53/386657053.db2.gz ORFCYKRNHMUYAR-QWHCGFSZSA-N 1 3 222.376 2.298 20 0 BEADHO Fc1cccc(F)c1CNCC[C@H]1CC[NH2+]C1 ZINC000414824551 386683660 /nfs/dbraw/zinc/68/36/60/386683660.db2.gz AVRDTEOLALPFCC-SNVBAGLBSA-N 1 3 240.297 2.054 20 0 BEADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC[C@H](C)N ZINC000414823335 386685230 /nfs/dbraw/zinc/68/52/30/386685230.db2.gz OEBXHKWPAGSLDC-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](CCc1ccc(F)cc1)NCC[C@H](C)[NH3+] ZINC000414823335 386685238 /nfs/dbraw/zinc/68/52/38/386685238.db2.gz OEBXHKWPAGSLDC-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO Cc1ccc(CNCC[C@H](C)[NH3+])cc1Cl ZINC000414827812 386693801 /nfs/dbraw/zinc/69/38/01/386693801.db2.gz YLBLTPLSAPOMNZ-JTQLQIEISA-N 1 3 226.751 2.475 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414826204 386693841 /nfs/dbraw/zinc/69/38/41/386693841.db2.gz VDYFEDVHYVIHMY-MJBXVCDLSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H](CC(C)C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826204 386693845 /nfs/dbraw/zinc/69/38/45/386693845.db2.gz VDYFEDVHYVIHMY-MJBXVCDLSA-N 1 3 242.407 2.025 20 0 BEADHO Clc1ccsc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414826185 386695751 /nfs/dbraw/zinc/69/57/51/386695751.db2.gz DZGTXGSBHNONGF-VIFPVBQESA-N 1 3 244.791 2.491 20 0 BEADHO C[NH2+]CCN[C@H](C)C[C@H](C)CC(C)C ZINC000414828626 386697249 /nfs/dbraw/zinc/69/72/49/386697249.db2.gz LAWVIIQMEPGXQO-VXGBXAGGSA-N 1 3 200.370 2.256 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000414833667 386714286 /nfs/dbraw/zinc/71/42/86/386714286.db2.gz STFKRFKASILRDU-JHJVBQTASA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414832180 386716724 /nfs/dbraw/zinc/71/67/24/386716724.db2.gz FAFCOMXZRHJONC-WCFLWFBJSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)CCN1 ZINC000335540279 386721080 /nfs/dbraw/zinc/72/10/80/386721080.db2.gz ZZWWUXWHZMFRNT-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000414836562 386730178 /nfs/dbraw/zinc/73/01/78/386730178.db2.gz JPMHRYPMFWNTMF-YNEHKIRRSA-N 1 3 212.381 2.258 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000414839740 386746575 /nfs/dbraw/zinc/74/65/75/386746575.db2.gz MOWRJAMVIJLKOF-IUCAKERBSA-N 1 3 226.286 2.163 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000335537780 386741372 /nfs/dbraw/zinc/74/13/72/386741372.db2.gz FGWZNHNNXHASTD-IGJPJIBNSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)C1CC(N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000335537780 386741381 /nfs/dbraw/zinc/74/13/81/386741381.db2.gz FGWZNHNNXHASTD-IGJPJIBNSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000122317198 386741719 /nfs/dbraw/zinc/74/17/19/386741719.db2.gz VYKQNWNZIKLTBF-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)CN(C)C ZINC000336668030 386785072 /nfs/dbraw/zinc/78/50/72/386785072.db2.gz DZHODBGSMGUHAD-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414933274 386787266 /nfs/dbraw/zinc/78/72/66/386787266.db2.gz DLNKPLWWVPATLC-OPRDCNLKSA-N 1 3 238.297 2.305 20 0 BEADHO C[C@@H](CN[C@@H](C)C[NH3+])c1cccc(Cl)c1 ZINC000414935973 386819362 /nfs/dbraw/zinc/81/93/62/386819362.db2.gz BKZZARXNULKGQO-UWVGGRQHSA-N 1 3 226.751 2.380 20 0 BEADHO CC(C)(C)N1CCC([NH2+]CCCCCO)CC1 ZINC000192923155 386797277 /nfs/dbraw/zinc/79/72/77/386797277.db2.gz WJVPCISPLJOUQX-UHFFFAOYSA-N 1 3 242.407 2.002 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H](C)CC1CCOCC1 ZINC000414935147 386806610 /nfs/dbraw/zinc/80/66/10/386806610.db2.gz AODNPXWOZNQGCK-QWHCGFSZSA-N 1 3 242.407 2.027 20 0 BEADHO CC[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000051627186 386835633 /nfs/dbraw/zinc/83/56/33/386835633.db2.gz PPBHFODBIZQQTB-AWEZNQCLSA-N 1 3 218.344 2.479 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000093516495 386836997 /nfs/dbraw/zinc/83/69/97/386836997.db2.gz LVQWYOFXJINCOT-MELADBBJSA-N 1 3 240.391 2.066 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425339401 386840241 /nfs/dbraw/zinc/84/02/41/386840241.db2.gz CMWXOWQZOJUBOP-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CC[C@@H]2SC)C1 ZINC000425339401 386840252 /nfs/dbraw/zinc/84/02/52/386840252.db2.gz CMWXOWQZOJUBOP-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@H]2CC[C@@H]2SC)C1 ZINC000425339401 386840258 /nfs/dbraw/zinc/84/02/58/386840258.db2.gz CMWXOWQZOJUBOP-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000324313614 386871819 /nfs/dbraw/zinc/87/18/19/386871819.db2.gz NASPJRMKEDEWDP-FRRDWIJNSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414940183 386877638 /nfs/dbraw/zinc/87/76/38/386877638.db2.gz JYXYXAAPVRMMKC-RWMBFGLXSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCNC[C@@H]1C ZINC000414940181 386877696 /nfs/dbraw/zinc/87/76/96/386877696.db2.gz JYXYXAAPVRMMKC-AVGNSLFASA-N 1 3 212.381 2.256 20 0 BEADHO C[C@@H](C[NH3+])N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000414942310 386901467 /nfs/dbraw/zinc/90/14/67/386901467.db2.gz KAHFQHWKMGQGAG-UWVGGRQHSA-N 1 3 226.751 2.208 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCNC[C@@H]2C)c1 ZINC000334858378 386911031 /nfs/dbraw/zinc/91/10/31/386911031.db2.gz SDBFCFCLHZKOOS-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)C ZINC000336762211 386920803 /nfs/dbraw/zinc/92/08/03/386920803.db2.gz NXYWDZLJYGTDLC-NSHDSACASA-N 1 3 210.365 2.273 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000126793270 387049080 /nfs/dbraw/zinc/04/90/80/387049080.db2.gz LLTNFRPXZNJWMF-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO COCc1cccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000126929612 387074460 /nfs/dbraw/zinc/07/44/60/387074460.db2.gz SABPAEWTOLOIJM-SWLSCSKDSA-N 1 3 248.370 2.002 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCCNc2ccccc21 ZINC000423299537 387130371 /nfs/dbraw/zinc/13/03/71/387130371.db2.gz BUEHPTDVMVUDME-BXUZGUMPSA-N 1 3 233.359 2.118 20 0 BEADHO CC[C@H](COC)[NH2+]CCCN1CCCC[C@H]1C ZINC000246366416 387079888 /nfs/dbraw/zinc/07/98/88/387079888.db2.gz LUMXGLFRGMPURO-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](COC)NCCC[N@@H+]1CCCC[C@H]1C ZINC000246366416 387079891 /nfs/dbraw/zinc/07/98/91/387079891.db2.gz LUMXGLFRGMPURO-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](COC)NCCC[N@H+]1CCCC[C@H]1C ZINC000246366416 387079897 /nfs/dbraw/zinc/07/98/97/387079897.db2.gz LUMXGLFRGMPURO-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423298520 387130738 /nfs/dbraw/zinc/13/07/38/387130738.db2.gz AJUMHPXKAGJQEG-GRYCIOLGSA-N 1 3 216.344 2.089 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC000228476401 387087808 /nfs/dbraw/zinc/08/78/08/387087808.db2.gz WBTDBTBXAMNBMC-BPLDGKMQSA-N 1 3 248.345 2.385 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)CN ZINC000423299909 387131342 /nfs/dbraw/zinc/13/13/42/387131342.db2.gz CQHQTWTXEIYSNU-LOWDOPEQSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1=CCCCC1 ZINC000335004787 387099452 /nfs/dbraw/zinc/09/94/52/387099452.db2.gz GAXYEUKHVRWNLV-GXTWGEPZSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000335004787 387099457 /nfs/dbraw/zinc/09/94/57/387099457.db2.gz GAXYEUKHVRWNLV-GXTWGEPZSA-N 1 3 222.376 2.465 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000335006089 387099782 /nfs/dbraw/zinc/09/97/82/387099782.db2.gz ANDKQAQMGQQJLG-NXEZZACHSA-N 1 3 218.291 2.034 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007135 387101284 /nfs/dbraw/zinc/10/12/84/387101284.db2.gz FOXSRJAFCZKDQA-AAEUAGOBSA-N 1 3 222.376 2.426 20 0 BEADHO C1CC12CCC([NH2+][C@@H]1CCCNCC1)CC2 ZINC000335010794 387105938 /nfs/dbraw/zinc/10/59/38/387105938.db2.gz PPWYEGVZKVHRKJ-GFCCVEGCSA-N 1 3 222.376 2.441 20 0 BEADHO C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000335011842 387106890 /nfs/dbraw/zinc/10/68/90/387106890.db2.gz VXMTVMDPVLDCJX-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)CN ZINC000423299912 387131766 /nfs/dbraw/zinc/13/17/66/387131766.db2.gz CQHQTWTXEIYSNU-WUHRBBMRSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccccc1 ZINC000335024914 387117308 /nfs/dbraw/zinc/11/73/08/387117308.db2.gz PMGFEVZELPQVIY-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028649 387122096 /nfs/dbraw/zinc/12/20/96/387122096.db2.gz XTVUNFJAGIUUKQ-MWLCHTKSSA-N 1 3 232.318 2.281 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C1CNC1 ZINC000335030497 387125001 /nfs/dbraw/zinc/12/50/01/387125001.db2.gz QCSYZEHNMGILLR-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC[C@H](C[NH3+])N[C@H](C)Cc1ccoc1 ZINC000423299682 387128963 /nfs/dbraw/zinc/12/89/63/387128963.db2.gz QKPSVWAGYZAKRZ-DGCLKSJQSA-N 1 3 224.348 2.318 20 0 BEADHO Cc1csc(CNC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070503303 387067621 /nfs/dbraw/zinc/06/76/21/387067621.db2.gz BNLPELABTYDWGD-QWRGUYRKSA-N 1 3 239.388 2.059 20 0 BEADHO CC(C)CC[C@H]([NH2+]C[C@@H](C)CN)C1CC1 ZINC000423306061 387141515 /nfs/dbraw/zinc/14/15/15/387141515.db2.gz LDAFPLXTWKVSNE-AAEUAGOBSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)NCC1C[NH2+]C1 ZINC000423306141 387142185 /nfs/dbraw/zinc/14/21/85/387142185.db2.gz SCBNWHIYMONQRZ-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1CNC1 ZINC000423306141 387142188 /nfs/dbraw/zinc/14/21/88/387142188.db2.gz SCBNWHIYMONQRZ-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423308533 387144040 /nfs/dbraw/zinc/14/40/40/387144040.db2.gz OREDLPKICYYART-GXFFZTMASA-N 1 3 210.365 2.140 20 0 BEADHO N[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310971 387149283 /nfs/dbraw/zinc/14/92/83/387149283.db2.gz BBGSEXUXXSTHEE-KGLIPLIRSA-N 1 3 234.318 2.140 20 0 BEADHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000400378477 387149928 /nfs/dbraw/zinc/14/99/28/387149928.db2.gz JMFGYNGFYSLMHM-GVXVVHGQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000400378477 387149934 /nfs/dbraw/zinc/14/99/34/387149934.db2.gz JMFGYNGFYSLMHM-GVXVVHGQSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](N)C1CC1 ZINC000423313446 387152519 /nfs/dbraw/zinc/15/25/19/387152519.db2.gz FUCPGLOQAUNTEX-LSDHHAIUSA-N 1 3 230.355 2.309 20 0 BEADHO CCC[NH2+]CCN[C@@H](C1CC1)C1CCC1 ZINC000423315813 387156548 /nfs/dbraw/zinc/15/65/48/387156548.db2.gz XPFODFKEPVDJSI-CYBMUJFWSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](N)C1CC1 ZINC000423321641 387164582 /nfs/dbraw/zinc/16/45/82/387164582.db2.gz NGLQUBYRIBYECH-RISCZKNCSA-N 1 3 218.344 2.383 20 0 BEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1 ZINC000423323229 387166305 /nfs/dbraw/zinc/16/63/05/387166305.db2.gz OQXXLLWYNYAUGU-GXFFZTMASA-N 1 3 204.317 2.075 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1 ZINC000423329457 387171999 /nfs/dbraw/zinc/17/19/99/387171999.db2.gz SVBLGIZMMOAARL-ZIAGYGMSSA-N 1 3 218.344 2.465 20 0 BEADHO Cc1c[nH+]ccc1NC[C@@H]1N(C)CCCC1(C)C ZINC000359835367 387174372 /nfs/dbraw/zinc/17/43/72/387174372.db2.gz JKRYCIIZJIHIFA-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CCC1 ZINC000423330635 387175342 /nfs/dbraw/zinc/17/53/42/387175342.db2.gz PLWIEMWQZZJNME-GXTWGEPZSA-N 1 3 248.370 2.234 20 0 BEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000423330638 387176776 /nfs/dbraw/zinc/17/67/76/387176776.db2.gz PLWIEMWQZZJNME-TZMCWYRMSA-N 1 3 248.370 2.234 20 0 BEADHO CC(C)[C@@H](NCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423331928 387177365 /nfs/dbraw/zinc/17/73/65/387177365.db2.gz DEKVTTXAPUAAJX-OAHLLOKOSA-N 1 3 245.370 2.288 20 0 BEADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](N)C1CC1 ZINC000423332460 387178909 /nfs/dbraw/zinc/17/89/09/387178909.db2.gz VFOXDHOCKMIGFM-KOLCDFICSA-N 1 3 224.373 2.444 20 0 BEADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccccc1F ZINC000423338631 387187179 /nfs/dbraw/zinc/18/71/79/387187179.db2.gz IEBHAVUSJLYHHO-NSHDSACASA-N 1 3 234.318 2.396 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CNC1 ZINC000423339203 387188037 /nfs/dbraw/zinc/18/80/37/387188037.db2.gz ZIZDSPBOUYEDGA-RAIGVLPGSA-N 1 3 210.365 2.010 20 0 BEADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1CNC1 ZINC000423301271 387133137 /nfs/dbraw/zinc/13/31/37/387133137.db2.gz HBIPVSNNTQHOGL-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+]CC2CNC2)C[C@H]1C ZINC000423302464 387134757 /nfs/dbraw/zinc/13/47/57/387134757.db2.gz JPFFPZAIMOHQJT-XBFCOCLRSA-N 1 3 224.392 2.256 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CC1CNC1 ZINC000423302752 387135160 /nfs/dbraw/zinc/13/51/60/387135160.db2.gz KGZHNATZTNZEQR-HNNXBMFYSA-N 1 3 232.371 2.063 20 0 BEADHO Cc1cccc(CC[C@H](C)[NH2+]CC2CNC2)c1 ZINC000423302139 387135463 /nfs/dbraw/zinc/13/54/63/387135463.db2.gz IXQIHOYGAPRNDZ-ZDUSSCGKSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1cccc(CC[C@H](C)NCC2C[NH2+]C2)c1 ZINC000423302139 387135466 /nfs/dbraw/zinc/13/54/66/387135466.db2.gz IXQIHOYGAPRNDZ-ZDUSSCGKSA-N 1 3 232.371 2.125 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2CNC2)C[C@H]1C ZINC000423302462 387135562 /nfs/dbraw/zinc/13/55/62/387135562.db2.gz JPFFPZAIMOHQJT-BNOWGMLFSA-N 1 3 224.392 2.256 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])[C@@H](C)C2 ZINC000423302987 387137416 /nfs/dbraw/zinc/13/74/16/387137416.db2.gz IGLUTSJYWZEFKX-SLEUVZQESA-N 1 3 232.371 2.413 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN)[C@@H](C)C2 ZINC000423302987 387137419 /nfs/dbraw/zinc/13/74/19/387137419.db2.gz IGLUTSJYWZEFKX-SLEUVZQESA-N 1 3 232.371 2.413 20 0 BEADHO C[C@H](CN)[NH2+]Cc1ccccc1C(F)(F)F ZINC000162015928 387138741 /nfs/dbraw/zinc/13/87/41/387138741.db2.gz CIMYDMQHWKKQRW-MRVPVSSYSA-N 1 3 232.249 2.142 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000423304357 387140638 /nfs/dbraw/zinc/14/06/38/387140638.db2.gz YLEVYPPEJCRYPM-HZMBPMFUSA-N 1 3 236.334 2.461 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)CCN1 ZINC000423367301 387217942 /nfs/dbraw/zinc/21/79/42/387217942.db2.gz ADJVCKYKFPPFDF-UTUOFQBUSA-N 1 3 208.349 2.049 20 0 BEADHO CC[C@@H](Cc1cccs1)[NH2+]CCCN ZINC000643496683 387217944 /nfs/dbraw/zinc/21/79/44/387217944.db2.gz AFXKDERSJQAVMU-JTQLQIEISA-N 1 3 212.362 2.008 20 0 BEADHO CC[C@@H](Cc1cccs1)NCCC[NH3+] ZINC000643496683 387217949 /nfs/dbraw/zinc/21/79/49/387217949.db2.gz AFXKDERSJQAVMU-JTQLQIEISA-N 1 3 212.362 2.008 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H]1CC1(C)C ZINC000423368974 387220285 /nfs/dbraw/zinc/22/02/85/387220285.db2.gz BMMPSGBDYIQTDR-KKOKHZNYSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H]1C[C@H]1C ZINC000423368513 387220530 /nfs/dbraw/zinc/22/05/30/387220530.db2.gz BANWUWMLPXQWMB-VEGXAWMVSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H]1C[C@@H]1C ZINC000423368509 387221079 /nfs/dbraw/zinc/22/10/79/387221079.db2.gz BANWUWMLPXQWMB-CLPYTZEMSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000094338950 387223000 /nfs/dbraw/zinc/22/30/00/387223000.db2.gz LTOCQTFKTFIULR-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000423372966 387226423 /nfs/dbraw/zinc/22/64/23/387226423.db2.gz BREVZXPPVIMERZ-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371752 387226485 /nfs/dbraw/zinc/22/64/85/387226485.db2.gz AUEXVVVRCPVCDE-FVCCEPFGSA-N 1 3 224.392 2.399 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000423372965 387227502 /nfs/dbraw/zinc/22/75/02/387227502.db2.gz BREVZXPPVIMERZ-GRYCIOLGSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](N[C@@H](C)C[NH3+])C(C)(C)c1ccccc1 ZINC000423373715 387229713 /nfs/dbraw/zinc/22/97/13/387229713.db2.gz SBRBRHTUFNLAKG-NWDGAFQWSA-N 1 3 220.360 2.290 20 0 BEADHO C[C@@H](C[NH3+])N[C@@H](C)C(C)(C)c1ccccc1 ZINC000423373716 387230335 /nfs/dbraw/zinc/23/03/35/387230335.db2.gz SBRBRHTUFNLAKG-RYUDHWBXSA-N 1 3 220.360 2.290 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccnc1 ZINC000423399466 387234383 /nfs/dbraw/zinc/23/43/83/387234383.db2.gz PNWHEKSVUGJKKQ-SNPRPXQTSA-N 1 3 247.386 2.366 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccnc1 ZINC000423399465 387235075 /nfs/dbraw/zinc/23/50/75/387235075.db2.gz PNWHEKSVUGJKKQ-QEJZJMRPSA-N 1 3 247.386 2.366 20 0 BEADHO C[NH2+][C@@H](C)CN[C@@H](Cc1ccccc1)C(C)C ZINC000423400859 387235311 /nfs/dbraw/zinc/23/53/11/387235311.db2.gz VIPGREXGSLBIMT-ZFWWWQNUSA-N 1 3 234.387 2.451 20 0 BEADHO C[N@@H+]1CC[C@H](NC2CC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000353589578 387236827 /nfs/dbraw/zinc/23/68/27/387236827.db2.gz QPASCCIQXJCPGO-SRVKXCTJSA-N 1 3 244.329 2.247 20 0 BEADHO C[N@H+]1CC[C@H](NC2CC(F)(F)C2)[C@@H]2CCC[C@@H]21 ZINC000353589578 387236831 /nfs/dbraw/zinc/23/68/31/387236831.db2.gz QPASCCIQXJCPGO-SRVKXCTJSA-N 1 3 244.329 2.247 20 0 BEADHO COC[C@@]1(CN[C@@H](C)CC(C)(C)C)CCC[NH2+]1 ZINC000423413429 387245817 /nfs/dbraw/zinc/24/58/17/387245817.db2.gz KLIVBZCUPXNOFZ-JSGCOSHPSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423346503 387194947 /nfs/dbraw/zinc/19/49/47/387194947.db2.gz PVOGTQFMKQEYFK-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C(C)(C)C ZINC000423346358 387195351 /nfs/dbraw/zinc/19/53/51/387195351.db2.gz ZZQFNROFPMBOIM-DGCLKSJQSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@@H](NCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423347770 387198332 /nfs/dbraw/zinc/19/83/32/387198332.db2.gz RBHUNGANTHHVPQ-OAHLLOKOSA-N 1 3 245.370 2.432 20 0 BEADHO CCC[C@H](NCC1=CC[NH2+]CC1)c1ccccn1 ZINC000423349606 387200347 /nfs/dbraw/zinc/20/03/47/387200347.db2.gz XCQJAABNAHVRBI-AWEZNQCLSA-N 1 3 245.370 2.432 20 0 BEADHO Cc1cc([C@H](C)NC[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000423463431 387311228 /nfs/dbraw/zinc/31/12/28/387311228.db2.gz FYJSUAZZTHOCMI-TUAOUCFPSA-N 1 3 237.347 2.151 20 0 BEADHO Cc1cc([C@H](C)NC[C@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000423463427 387311340 /nfs/dbraw/zinc/31/13/40/387311340.db2.gz FYJSUAZZTHOCMI-SDDRHHMPSA-N 1 3 237.347 2.151 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423463696 387313084 /nfs/dbraw/zinc/31/30/84/387313084.db2.gz LMYQMOZVGUMEBK-LJWDBELGSA-N 1 3 236.334 2.386 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccccc1 ZINC000423467662 387315732 /nfs/dbraw/zinc/31/57/32/387315732.db2.gz NZKSLINVPWGMBA-QWHCGFSZSA-N 1 3 206.333 2.465 20 0 BEADHO COCCC[C@@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423379714 387261679 /nfs/dbraw/zinc/26/16/79/387261679.db2.gz GUBIERMILJOULR-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H]2CCO[C@H]2C)CC1 ZINC000120659087 387262708 /nfs/dbraw/zinc/26/27/08/387262708.db2.gz KKTSYRFGLFLFPN-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CC(C)(C)C[C@H]1C ZINC000423388058 387270819 /nfs/dbraw/zinc/27/08/19/387270819.db2.gz SXNZOYBEXPKXOP-UTUOFQBUSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423389759 387273192 /nfs/dbraw/zinc/27/31/92/387273192.db2.gz JQMOGUDYFBUPFX-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccc(OC)c1 ZINC000423433342 387283895 /nfs/dbraw/zinc/28/38/95/387283895.db2.gz CFOPZZZHFGUMMZ-MJVIPROJSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCCC1 ZINC000423434109 387286807 /nfs/dbraw/zinc/28/68/07/387286807.db2.gz NVJDHXUQUQXTJY-SCUASFONSA-N 1 3 222.376 2.153 20 0 BEADHO C1CCC2(C1)CCCC[C@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423435163 387286917 /nfs/dbraw/zinc/28/69/17/387286917.db2.gz QWLXVYLPCUONJY-RQJABVFESA-N 1 3 234.387 2.297 20 0 BEADHO CCC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423437543 387287733 /nfs/dbraw/zinc/28/77/33/387287733.db2.gz UIDXNJBAQSNVQX-RQJABVFESA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423440047 387290347 /nfs/dbraw/zinc/29/03/47/387290347.db2.gz SVYNLYWINRDJGE-PDWCTOEPSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423440291 387290387 /nfs/dbraw/zinc/29/03/87/387290387.db2.gz IKHGBIBZKSTULI-MWODSPESSA-N 1 3 222.307 2.138 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H](C)N ZINC000423440293 387290447 /nfs/dbraw/zinc/29/04/47/387290447.db2.gz IKHGBIBZKSTULI-RWEMILLDSA-N 1 3 222.307 2.138 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423440101 387291172 /nfs/dbraw/zinc/29/11/72/387291172.db2.gz AMSRVYMJWWJWCG-VXGBXAGGSA-N 1 3 236.359 2.392 20 0 BEADHO C[C@H](CCC(C)(C)C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423442554 387292215 /nfs/dbraw/zinc/29/22/15/387292215.db2.gz ZEQUWEBVUDBNII-WYUUTHIRSA-N 1 3 210.365 2.009 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)[C@H](C)N ZINC000423444268 387293566 /nfs/dbraw/zinc/29/35/66/387293566.db2.gz LNLZKBSTSDCOQO-PGUXBMHVSA-N 1 3 248.370 2.398 20 0 BEADHO CCCCO[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423444713 387295324 /nfs/dbraw/zinc/29/53/24/387295324.db2.gz LYWQAJTWBOWGSP-MROQNXINSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423447422 387297534 /nfs/dbraw/zinc/29/75/34/387297534.db2.gz OZKLNTJBNJPXND-QSDJMHMYSA-N 1 3 236.334 2.384 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423455206 387301457 /nfs/dbraw/zinc/30/14/57/387301457.db2.gz BZYPJYJNCHXJMG-MFKMUULPSA-N 1 3 234.343 2.009 20 0 BEADHO CC(C)[C@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423453517 387302187 /nfs/dbraw/zinc/30/21/87/387302187.db2.gz KSUATGJIRZMREP-MEBFFEOJSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)[C@H](C)N ZINC000423454977 387302437 /nfs/dbraw/zinc/30/24/37/387302437.db2.gz ZUPAQJOWVOIVBL-AXFHLTTASA-N 1 3 234.343 2.103 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423456103 387303167 /nfs/dbraw/zinc/30/31/67/387303167.db2.gz DEYMDEIHPOPXHA-NOZJJQNGSA-N 1 3 222.307 2.140 20 0 BEADHO C[C@@H]1C[NH+](CC[C@@H]2CCCN2C)C[C@@H](C)S1 ZINC000162061188 387308881 /nfs/dbraw/zinc/30/88/81/387308881.db2.gz VNOFLIJHDVSIMK-UPJWGTAASA-N 1 3 242.432 2.297 20 0 BEADHO C(N[C@H]1CCC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502546 387367033 /nfs/dbraw/zinc/36/70/33/387367033.db2.gz JTSRJYQNRHCKLN-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423547388 387369683 /nfs/dbraw/zinc/36/96/83/387369683.db2.gz GBVZUBKTQIPHPM-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1C[C@@H]1C ZINC000423557693 387376054 /nfs/dbraw/zinc/37/60/54/387376054.db2.gz NNWLFXHMKXNBQH-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000360975246 387378410 /nfs/dbraw/zinc/37/84/10/387378410.db2.gz TTXYAMVQMKZPRX-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C1CC([C@@H]2CC[C@@H]2N[C@H]2CCCC[NH2+]C2)C1 ZINC000423568604 387380514 /nfs/dbraw/zinc/38/05/14/387380514.db2.gz VQVXIVYWPIMVQO-IHRRRGAJSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423476487 387324397 /nfs/dbraw/zinc/32/43/97/387324397.db2.gz SMWJAAIMPBKNGX-YPMHNXCESA-N 1 3 222.307 2.140 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423484526 387330051 /nfs/dbraw/zinc/33/00/51/387330051.db2.gz YOADTNPJWSPKEV-ZYHUDNBSSA-N 1 3 222.332 2.083 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321989891 387343852 /nfs/dbraw/zinc/34/38/52/387343852.db2.gz DWWGNUCUHUVTGH-JHJVBQTASA-N 1 3 212.381 2.351 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466832 387388872 /nfs/dbraw/zinc/38/88/72/387388872.db2.gz PTCAOPJZMLWNHQ-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)C1CC1 ZINC000643468335 387418973 /nfs/dbraw/zinc/41/89/73/387418973.db2.gz QLXGMZYGROJWIK-NQBHXWOUSA-N 1 3 210.365 2.010 20 0 BEADHO CCN(CC)CCC[N@H+](CC)C[C@@H](C)OC ZINC000361570465 387495569 /nfs/dbraw/zinc/49/55/69/387495569.db2.gz WOIJZZLLVLCDOQ-CYBMUJFWSA-N 1 3 230.396 2.075 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)C[C@@H](C)OC ZINC000361570465 387495572 /nfs/dbraw/zinc/49/55/72/387495572.db2.gz WOIJZZLLVLCDOQ-CYBMUJFWSA-N 1 3 230.396 2.075 20 0 BEADHO CC(C)OC1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000643475971 387512789 /nfs/dbraw/zinc/51/27/89/387512789.db2.gz ZFPITISCIWAIKN-FEPKRQSRSA-N 1 3 242.407 2.438 20 0 BEADHO CCC[C@@]1(NCCC[NH+](CC)CC)CCOC1 ZINC000352825246 387528312 /nfs/dbraw/zinc/52/83/12/387528312.db2.gz OSFXXTIUQGNDNA-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO CCC[C@@]1([NH2+]CCCN(CC)CC)CCOC1 ZINC000352825246 387528314 /nfs/dbraw/zinc/52/83/14/387528314.db2.gz OSFXXTIUQGNDNA-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO CO[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000361748987 387529552 /nfs/dbraw/zinc/52/95/52/387529552.db2.gz CRUKYFZISLRMCM-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000361748987 387529553 /nfs/dbraw/zinc/52/95/53/387529553.db2.gz CRUKYFZISLRMCM-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000361748987 387529557 /nfs/dbraw/zinc/52/95/57/387529557.db2.gz CRUKYFZISLRMCM-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCCN[C@H]2C)cc1 ZINC000396701574 387486727 /nfs/dbraw/zinc/48/67/27/387486727.db2.gz NFJZOLFJNSGMNI-WFASDCNBSA-N 1 3 232.371 2.479 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000379553237 387586057 /nfs/dbraw/zinc/58/60/57/387586057.db2.gz VUEYIAAWISJDKH-RYUDHWBXSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCSC[C@@H](C)C1 ZINC000379553237 387586060 /nfs/dbraw/zinc/58/60/60/387586060.db2.gz VUEYIAAWISJDKH-RYUDHWBXSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000379553236 387586200 /nfs/dbraw/zinc/58/62/00/387586200.db2.gz VUEYIAAWISJDKH-NWDGAFQWSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCSC[C@@H](C)C1 ZINC000379553236 387586206 /nfs/dbraw/zinc/58/62/06/387586206.db2.gz VUEYIAAWISJDKH-NWDGAFQWSA-N 1 3 230.421 2.045 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511462 387591156 /nfs/dbraw/zinc/59/11/56/387591156.db2.gz RUJOHUIZRCQTFU-VXGBXAGGSA-N 1 3 228.355 2.151 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511462 387591158 /nfs/dbraw/zinc/59/11/58/387591158.db2.gz RUJOHUIZRCQTFU-VXGBXAGGSA-N 1 3 228.355 2.151 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123893402 387598192 /nfs/dbraw/zinc/59/81/92/387598192.db2.gz SMJKDMUMNOPJIX-ZJUUUORDSA-N 1 3 238.297 2.436 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)[C@H](C)N ZINC000422551352 387598457 /nfs/dbraw/zinc/59/84/57/387598457.db2.gz DKJLINGCUANIPC-WDEREUQCSA-N 1 3 218.344 2.389 20 0 BEADHO CC[C@H](COC)NC1CC([NH+]2CCCCC2)C1 ZINC000376023748 387602939 /nfs/dbraw/zinc/60/29/39/387602939.db2.gz ZQSXNVUWHQPCHI-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422639443 387611707 /nfs/dbraw/zinc/61/17/07/387611707.db2.gz STWJQDBILPSPEE-MJBXVCDLSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422639443 387611711 /nfs/dbraw/zinc/61/17/11/387611711.db2.gz STWJQDBILPSPEE-MJBXVCDLSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422639443 387611715 /nfs/dbraw/zinc/61/17/15/387611715.db2.gz STWJQDBILPSPEE-MJBXVCDLSA-N 1 3 242.407 2.107 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1c(F)cccc1F ZINC000422692610 387613338 /nfs/dbraw/zinc/61/33/38/387613338.db2.gz KLHXHAFAZMADKS-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO CCC(CC)[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422700751 387615360 /nfs/dbraw/zinc/61/53/60/387615360.db2.gz ANCRXIVQAYBNEK-BFHYXJOUSA-N 1 3 242.407 2.033 20 0 BEADHO Cc1cc(CN(C)CC2CC[NH+](C)CC2)ccn1 ZINC000527531755 387621937 /nfs/dbraw/zinc/62/19/37/387621937.db2.gz BSOYHYXLQPRGQY-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](Cc1cccs1)NC[C@@H]([NH3+])C1CC1 ZINC000643516558 387626857 /nfs/dbraw/zinc/62/68/57/387626857.db2.gz SBOJZXAVVLYRSO-BXKDBHETSA-N 1 3 224.373 2.006 20 0 BEADHO Cn1ccc(C[NH2+]C2CC(N3CCCCC3)C2)c1 ZINC000355579470 387555057 /nfs/dbraw/zinc/55/50/57/387555057.db2.gz DVMKMMFTQHDISN-UHFFFAOYSA-N 1 3 247.386 2.132 20 0 BEADHO CC[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422716453 387627621 /nfs/dbraw/zinc/62/76/21/387627621.db2.gz NEFLZPJNLFSJNR-QWHCGFSZSA-N 1 3 232.371 2.378 20 0 BEADHO CC[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422716453 387627627 /nfs/dbraw/zinc/62/76/27/387627627.db2.gz NEFLZPJNLFSJNR-QWHCGFSZSA-N 1 3 232.371 2.378 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000422719357 387632945 /nfs/dbraw/zinc/63/29/45/387632945.db2.gz QWCMMFGDBNGKSZ-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO CCc1ccc(CCN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430610690 387633960 /nfs/dbraw/zinc/63/39/60/387633960.db2.gz LJIKLRCNLFBMFW-INIZCTEOSA-N 1 3 246.398 2.462 20 0 BEADHO CCc1ccc(CC[N@@H+]2CCC[C@@H](CN)C2)cc1 ZINC000430610690 387633965 /nfs/dbraw/zinc/63/39/65/387633965.db2.gz LJIKLRCNLFBMFW-INIZCTEOSA-N 1 3 246.398 2.462 20 0 BEADHO CCc1ccc(CC[N@H+]2CCC[C@@H](CN)C2)cc1 ZINC000430610690 387633971 /nfs/dbraw/zinc/63/39/71/387633971.db2.gz LJIKLRCNLFBMFW-INIZCTEOSA-N 1 3 246.398 2.462 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC000376475692 387638161 /nfs/dbraw/zinc/63/81/61/387638161.db2.gz BPNLQFIYHSROMQ-KGLIPLIRSA-N 1 3 238.375 2.095 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000376475692 387638165 /nfs/dbraw/zinc/63/81/65/387638165.db2.gz BPNLQFIYHSROMQ-KGLIPLIRSA-N 1 3 238.375 2.095 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732986 387641002 /nfs/dbraw/zinc/64/10/02/387641002.db2.gz PYRVXJHJTPAPFB-RYUDHWBXSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(F)cc1 ZINC000422735456 387642998 /nfs/dbraw/zinc/64/29/98/387642998.db2.gz UVMPOXMCBDQTGX-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000422735456 387643000 /nfs/dbraw/zinc/64/30/00/387643000.db2.gz UVMPOXMCBDQTGX-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(F)cc1 ZINC000422735455 387643802 /nfs/dbraw/zinc/64/38/02/387643802.db2.gz UVMPOXMCBDQTGX-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000422735455 387643804 /nfs/dbraw/zinc/64/38/04/387643804.db2.gz UVMPOXMCBDQTGX-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO COc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422737598 387644693 /nfs/dbraw/zinc/64/46/93/387644693.db2.gz ZXKWVJGEFIKYNL-LSDHHAIUSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccccc1F ZINC000422739696 387645180 /nfs/dbraw/zinc/64/51/80/387645180.db2.gz LZHXNHACBVJSQH-TUAOUCFPSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccccc1F ZINC000422739696 387645184 /nfs/dbraw/zinc/64/51/84/387645184.db2.gz LZHXNHACBVJSQH-TUAOUCFPSA-N 1 3 238.350 2.472 20 0 BEADHO COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422737593 387646258 /nfs/dbraw/zinc/64/62/58/387646258.db2.gz ZXKWVJGEFIKYNL-GJZGRUSLSA-N 1 3 248.370 2.445 20 0 BEADHO CC1(C)CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000149500092 387651324 /nfs/dbraw/zinc/65/13/24/387651324.db2.gz UULGWAPPQIVTJV-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccccc1Cl ZINC000422788514 387653923 /nfs/dbraw/zinc/65/39/23/387653923.db2.gz VMARNGRWBIDXOS-QWHCGFSZSA-N 1 3 238.762 2.352 20 0 BEADHO Cc1ccc(OCCN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422753886 387657810 /nfs/dbraw/zinc/65/78/10/387657810.db2.gz IYUAUAYUFSUAAD-CHWSQXEVSA-N 1 3 236.359 2.089 20 0 BEADHO Cc1ccc(OCCN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422753887 387659314 /nfs/dbraw/zinc/65/93/14/387659314.db2.gz IYUAUAYUFSUAAD-OLZOCXBDSA-N 1 3 236.359 2.089 20 0 BEADHO Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422756409 387659459 /nfs/dbraw/zinc/65/94/59/387659459.db2.gz IQYPDOLVNHZAAU-NEPJUHHUSA-N 1 3 206.333 2.210 20 0 BEADHO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)C1CNC1 ZINC000422760533 387662674 /nfs/dbraw/zinc/66/26/74/387662674.db2.gz QFYSLEAESZJTTH-QWRGUYRKSA-N 1 3 212.381 2.399 20 0 BEADHO CCc1ccc(CCN2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000430927760 387662639 /nfs/dbraw/zinc/66/26/39/387662639.db2.gz RPGNKVPAWAFSMM-INIZCTEOSA-N 1 3 246.398 2.333 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000422759477 387662757 /nfs/dbraw/zinc/66/27/57/387662757.db2.gz PGHQQDXYZSLXCJ-HUBLWGQQSA-N 1 3 232.371 2.259 20 0 BEADHO CCc1ccc(CCN2CC[C@H](C[NH2+]C)C2)cc1 ZINC000430927761 387662903 /nfs/dbraw/zinc/66/29/03/387662903.db2.gz RPGNKVPAWAFSMM-MRXNPFEDSA-N 1 3 246.398 2.333 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1CNC1 ZINC000422760535 387662894 /nfs/dbraw/zinc/66/28/94/387662894.db2.gz QFYSLEAESZJTTH-WDEREUQCSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccs1 ZINC000422759458 387663438 /nfs/dbraw/zinc/66/34/38/387663438.db2.gz PCBKIXVGQJIRGA-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccs1 ZINC000422759458 387663441 /nfs/dbraw/zinc/66/34/41/387663441.db2.gz PCBKIXVGQJIRGA-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCc2ccccc2C1 ZINC000422761421 387663562 /nfs/dbraw/zinc/66/35/62/387663562.db2.gz RHLBSTJGDFSORN-RRFJBIMHSA-N 1 3 230.355 2.013 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCc2ccccc2C1 ZINC000422759480 387663710 /nfs/dbraw/zinc/66/37/10/387663710.db2.gz PGHQQDXYZSLXCJ-ZOWXZIJZSA-N 1 3 232.371 2.259 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCOC1CCCCCC1 ZINC000422770004 387669649 /nfs/dbraw/zinc/66/96/49/387669649.db2.gz WCQSOUVFDBECCR-STQMWFEESA-N 1 3 242.407 2.441 20 0 BEADHO CC(C)[C@@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422773173 387670768 /nfs/dbraw/zinc/67/07/68/387670768.db2.gz TWAVFVOTNYPPMK-YNEHKIRRSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H](COC)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125971374 387671542 /nfs/dbraw/zinc/67/15/42/387671542.db2.gz MIOZSOGTWIPLKV-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@H](COC)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125971374 387671547 /nfs/dbraw/zinc/67/15/47/387671547.db2.gz MIOZSOGTWIPLKV-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@H](COC)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125971374 387671552 /nfs/dbraw/zinc/67/15/52/387671552.db2.gz MIOZSOGTWIPLKV-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO COc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422774396 387671953 /nfs/dbraw/zinc/67/19/53/387671953.db2.gz WVFFQHAHDVPESI-CABCVRRESA-N 1 3 248.370 2.445 20 0 BEADHO COc1cc(CCN[C@H]2CCC[C@@H]2[NH3+])ccc1C ZINC000422775112 387672469 /nfs/dbraw/zinc/67/24/69/387672469.db2.gz ACSQLWNKLLLWRN-KBPBESRZSA-N 1 3 248.370 2.016 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)C[C@H](C)[NH3+])C12CCC2 ZINC000422777107 387674094 /nfs/dbraw/zinc/67/40/94/387674094.db2.gz FFLGLHAAIDSROU-QNWHQSFQSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)N)C12CCC2 ZINC000422777107 387674099 /nfs/dbraw/zinc/67/40/99/387674099.db2.gz FFLGLHAAIDSROU-QNWHQSFQSA-N 1 3 240.391 2.050 20 0 BEADHO Cc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000527720039 387674969 /nfs/dbraw/zinc/67/49/69/387674969.db2.gz KWTXUDRRMNSWHW-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1cc(CNCC[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000527720039 387674981 /nfs/dbraw/zinc/67/49/81/387674981.db2.gz KWTXUDRRMNSWHW-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO CC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccncc1 ZINC000422782378 387680429 /nfs/dbraw/zinc/68/04/29/387680429.db2.gz LWIVASRYAJXYJD-LOWVWBTDSA-N 1 3 221.348 2.248 20 0 BEADHO CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccncc1 ZINC000422782379 387680633 /nfs/dbraw/zinc/68/06/33/387680633.db2.gz LWIVASRYAJXYJD-MDZLAQPJSA-N 1 3 221.348 2.248 20 0 BEADHO Cc1cc(C)cc(CCN[C@H](C)C2C[NH2+]C2)c1 ZINC000422785139 387684838 /nfs/dbraw/zinc/68/48/38/387684838.db2.gz OZMDDISLIOUSIW-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1cc(C)cc(CC[NH2+][C@H](C)C2CNC2)c1 ZINC000422785139 387684840 /nfs/dbraw/zinc/68/48/40/387684840.db2.gz OZMDDISLIOUSIW-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCOC1CCCCC1 ZINC000422786930 387687540 /nfs/dbraw/zinc/68/75/40/387687540.db2.gz PHUIBKAGDFKOKW-QWHCGFSZSA-N 1 3 242.407 2.441 20 0 BEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422742902 387691282 /nfs/dbraw/zinc/69/12/82/387691282.db2.gz HFMFHXXJCVJXHV-SDDRHHMPSA-N 1 3 206.333 2.463 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCOc1ccccc1 ZINC000422791263 387693925 /nfs/dbraw/zinc/69/39/25/387693925.db2.gz QBENKJURDASRPA-OLZOCXBDSA-N 1 3 236.359 2.171 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000422791263 387693929 /nfs/dbraw/zinc/69/39/29/387693929.db2.gz QBENKJURDASRPA-OLZOCXBDSA-N 1 3 236.359 2.171 20 0 BEADHO CCc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422790574 387693938 /nfs/dbraw/zinc/69/39/38/387693938.db2.gz VBGKFUMGDQOELI-NEPJUHHUSA-N 1 3 220.360 2.464 20 0 BEADHO Cc1ccc(OCCCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422860460 387743646 /nfs/dbraw/zinc/74/36/46/387743646.db2.gz MKBRHGMIVQSKFR-GJZGRUSLSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000643525502 387746505 /nfs/dbraw/zinc/74/65/05/387746505.db2.gz YXOWWLGUEKBPKA-WOPDTQHZSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H](Cc1cccs1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000643525502 387746511 /nfs/dbraw/zinc/74/65/11/387746511.db2.gz YXOWWLGUEKBPKA-WOPDTQHZSA-N 1 3 238.400 2.409 20 0 BEADHO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526306 387749798 /nfs/dbraw/zinc/74/97/98/387749798.db2.gz YYKAHDUDARGASG-NEPJUHHUSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000422873738 387752412 /nfs/dbraw/zinc/75/24/12/387752412.db2.gz LYNRNHDQBWKHIV-FRRDWIJNSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CC12CC2)CN1CCCC1 ZINC000527852495 387754321 /nfs/dbraw/zinc/75/43/21/387754321.db2.gz RHGMGTVKSALWHE-HZSPNIEDSA-N 1 3 236.403 2.497 20 0 BEADHO Cc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422801499 387703133 /nfs/dbraw/zinc/70/31/33/387703133.db2.gz FOTKQBFYUHLZKG-RYUDHWBXSA-N 1 3 206.333 2.210 20 0 BEADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000422808615 387706905 /nfs/dbraw/zinc/70/69/05/387706905.db2.gz LGJMLRIAUNQJPB-RWMBFGLXSA-N 1 3 242.407 2.025 20 0 BEADHO CO[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)C(C)(C)C ZINC000422808615 387706910 /nfs/dbraw/zinc/70/69/10/387706910.db2.gz LGJMLRIAUNQJPB-RWMBFGLXSA-N 1 3 242.407 2.025 20 0 BEADHO CCO[C@H](CC[NH2+][C@@H](C)C[C@H](C)N)C(C)C ZINC000422810824 387707158 /nfs/dbraw/zinc/70/71/58/387707158.db2.gz NYJSDEVNFYZRCQ-RWMBFGLXSA-N 1 3 230.396 2.153 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2ccccc2)CC1 ZINC000422808428 387707325 /nfs/dbraw/zinc/70/73/25/387707325.db2.gz LDKNQQHAVSBAAC-KGLIPLIRSA-N 1 3 230.355 2.188 20 0 BEADHO CCc1cc(N2C[C@@H](C)N(C)C[C@H]2C)cc[nH+]1 ZINC000450417377 387710588 /nfs/dbraw/zinc/71/05/88/387710588.db2.gz JGOJAWVAXMYLPT-VXGBXAGGSA-N 1 3 233.359 2.173 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422812163 387712114 /nfs/dbraw/zinc/71/21/14/387712114.db2.gz QBMLRZBXOLTTSF-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NCC1(c2ccccc2)CCC1)C1C[NH2+]C1 ZINC000422814468 387715243 /nfs/dbraw/zinc/71/52/43/387715243.db2.gz UZOUVLGAPSYHLC-CYBMUJFWSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@@H]([NH2+]CC1(c2ccccc2)CCC1)C1CNC1 ZINC000422814468 387715249 /nfs/dbraw/zinc/71/52/49/387715249.db2.gz UZOUVLGAPSYHLC-CYBMUJFWSA-N 1 3 244.382 2.306 20 0 BEADHO C1CC2(C1)CCC[C@@H]2[NH2+][C@H]1CCCNCC1 ZINC000643522772 387721878 /nfs/dbraw/zinc/72/18/78/387721878.db2.gz FFZMVVYBMYRENG-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000422834757 387726767 /nfs/dbraw/zinc/72/67/67/387726767.db2.gz XKQANKHVNIBJFS-TZMCWYRMSA-N 1 3 240.391 2.053 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCS1 ZINC000128073865 387734612 /nfs/dbraw/zinc/73/46/12/387734612.db2.gz RUXARMORPGJVPC-UPJWGTAASA-N 1 3 240.416 2.098 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCS1 ZINC000128073865 387734617 /nfs/dbraw/zinc/73/46/17/387734617.db2.gz RUXARMORPGJVPC-UPJWGTAASA-N 1 3 240.416 2.098 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H](C)C[C@H](C)N)c1 ZINC000422853524 387737409 /nfs/dbraw/zinc/73/74/09/387737409.db2.gz YZQSOPVBLLIKMC-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO Cc1cccc(CCN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422853524 387737414 /nfs/dbraw/zinc/73/74/14/387737414.db2.gz YZQSOPVBLLIKMC-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422856584 387740532 /nfs/dbraw/zinc/74/05/32/387740532.db2.gz WZNGIVGOFRCUKD-OLZOCXBDSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](CCN[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422856584 387740543 /nfs/dbraw/zinc/74/05/43/387740543.db2.gz WZNGIVGOFRCUKD-OLZOCXBDSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)N(C)c1ccccc1 ZINC000422856202 387740837 /nfs/dbraw/zinc/74/08/37/387740837.db2.gz FTEYQYVKLZPGSS-IHRRRGAJSA-N 1 3 249.402 2.227 20 0 BEADHO C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C1CNC1 ZINC000422856585 387742456 /nfs/dbraw/zinc/74/24/56/387742456.db2.gz WZNGIVGOFRCUKD-QWHCGFSZSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@@H](NCC[C@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000422856585 387742461 /nfs/dbraw/zinc/74/24/61/387742461.db2.gz WZNGIVGOFRCUKD-QWHCGFSZSA-N 1 3 232.371 2.378 20 0 BEADHO Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])s1 ZINC000422896093 387766298 /nfs/dbraw/zinc/76/62/98/387766298.db2.gz XJNLBLWWXBGMJV-DTWKUNHWSA-N 1 3 212.362 2.272 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccccc1F ZINC000643528323 387767231 /nfs/dbraw/zinc/76/72/31/387767231.db2.gz HAUVSKVRIFENCT-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCc2ccccc21 ZINC000422911242 387769531 /nfs/dbraw/zinc/76/95/31/387769531.db2.gz SJDKPRFDJWGWKZ-INWMFGNUSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1cccc(F)c1 ZINC000643528556 387770041 /nfs/dbraw/zinc/77/00/41/387770041.db2.gz LJPLUEOYCJDFLM-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@@H](COC)NCC1(C[NH+](C)C)CCCC1 ZINC000129475216 387770612 /nfs/dbraw/zinc/77/06/12/387770612.db2.gz RZFHBUQCVLMMOH-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000422912916 387770772 /nfs/dbraw/zinc/77/07/72/387770772.db2.gz XJEXNRZPAFNZBK-NEPJUHHUSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1cccc(F)c1 ZINC000422912916 387770775 /nfs/dbraw/zinc/77/07/75/387770775.db2.gz XJEXNRZPAFNZBK-NEPJUHHUSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000422912919 387770949 /nfs/dbraw/zinc/77/09/49/387770949.db2.gz XJEXNRZPAFNZBK-VXGBXAGGSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1cccc(F)c1 ZINC000422912919 387770951 /nfs/dbraw/zinc/77/09/51/387770951.db2.gz XJEXNRZPAFNZBK-VXGBXAGGSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CNC1 ZINC000422914462 387771668 /nfs/dbraw/zinc/77/16/68/387771668.db2.gz UHVSOIBVGFFPLC-BLLLJJGKSA-N 1 3 244.382 2.205 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000422917128 387773532 /nfs/dbraw/zinc/77/35/32/387773532.db2.gz CNGUGESCOUFINH-SNVBAGLBSA-N 1 3 233.359 2.299 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422921473 387775160 /nfs/dbraw/zinc/77/51/60/387775160.db2.gz QANUJSFTBZQRPO-CHWSQXEVSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000643528083 387775539 /nfs/dbraw/zinc/77/55/39/387775539.db2.gz YWYCITWUAQPXDN-AUZPSNTRSA-N 1 3 218.344 2.115 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000422919663 387776086 /nfs/dbraw/zinc/77/60/86/387776086.db2.gz KTGHUBJLSMKSGY-YIYPIFLZSA-N 1 3 222.376 2.425 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000422919585 387776246 /nfs/dbraw/zinc/77/62/46/387776246.db2.gz KCFFSQCVIZGKFF-IUCAKERBSA-N 1 3 224.270 2.188 20 0 BEADHO COc1ccc([C@H](C)[C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643529431 387776984 /nfs/dbraw/zinc/77/69/84/387776984.db2.gz ZRUFPEVGTFDJDB-IJLUTSLNSA-N 1 3 236.359 2.124 20 0 BEADHO C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000422922023 387778229 /nfs/dbraw/zinc/77/82/29/387778229.db2.gz PLIGPVUQYCPUPH-GDLCADMTSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)C1CNC1 ZINC000422922023 387778231 /nfs/dbraw/zinc/77/82/31/387778231.db2.gz PLIGPVUQYCPUPH-GDLCADMTSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000422926661 387780235 /nfs/dbraw/zinc/78/02/35/387780235.db2.gz XGPPJCQSYMDSDG-JURCDPSOSA-N 1 3 232.371 2.333 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422926661 387780237 /nfs/dbraw/zinc/78/02/37/387780237.db2.gz XGPPJCQSYMDSDG-JURCDPSOSA-N 1 3 232.371 2.333 20 0 BEADHO CC(C)CC1(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422926719 387780251 /nfs/dbraw/zinc/78/02/51/387780251.db2.gz DQIYLNYLNMFLFK-NSHDSACASA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)CC1(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000422926718 387780461 /nfs/dbraw/zinc/78/04/61/387780461.db2.gz DQIYLNYLNMFLFK-LLVKDONJSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cc(C)cc(OCC[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422944356 387784935 /nfs/dbraw/zinc/78/49/35/387784935.db2.gz MBRHIDDFTPBZSP-GJZGRUSLSA-N 1 3 248.370 2.152 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)C ZINC000422945024 387785243 /nfs/dbraw/zinc/78/52/43/387785243.db2.gz SYMRZDWZPXWVTN-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cccc(C)c1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422945103 387785566 /nfs/dbraw/zinc/78/55/66/387785566.db2.gz UAKVLSMLBQBKPN-LSDHHAIUSA-N 1 3 232.371 2.315 20 0 BEADHO Cc1cccc(C)c1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422945102 387785620 /nfs/dbraw/zinc/78/56/20/387785620.db2.gz UAKVLSMLBQBKPN-HUUCEWRRSA-N 1 3 232.371 2.315 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000422945025 387785675 /nfs/dbraw/zinc/78/56/75/387785675.db2.gz SYMRZDWZPXWVTN-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000422982961 387794133 /nfs/dbraw/zinc/79/41/33/387794133.db2.gz YHIQSLKAFJNKEN-TUAOUCFPSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccc(O)cc1 ZINC000422982961 387794138 /nfs/dbraw/zinc/79/41/38/387794138.db2.gz YHIQSLKAFJNKEN-TUAOUCFPSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1ccccc1 ZINC000422986725 387795274 /nfs/dbraw/zinc/79/52/74/387795274.db2.gz HFMFHXXJCVJXHV-IJLUTSLNSA-N 1 3 206.333 2.463 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCC(F)(F)C1 ZINC000422985918 387796320 /nfs/dbraw/zinc/79/63/20/387796320.db2.gz BAJLYLBUKMCFSZ-GUBZILKMSA-N 1 3 220.307 2.280 20 0 BEADHO CC[C@H](N[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422997681 387801781 /nfs/dbraw/zinc/80/17/81/387801781.db2.gz VHFJSTCRFOQMQE-AGIUHOORSA-N 1 3 208.349 2.215 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422997681 387801785 /nfs/dbraw/zinc/80/17/85/387801785.db2.gz VHFJSTCRFOQMQE-AGIUHOORSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000422954361 387808801 /nfs/dbraw/zinc/80/88/01/387808801.db2.gz IJTQIKNFZXAKBJ-UTUOFQBUSA-N 1 3 210.365 2.010 20 0 BEADHO CCO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C12CCCCC2 ZINC000643526535 387756815 /nfs/dbraw/zinc/75/68/15/387756815.db2.gz AQGMDYUMSHNMTL-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)N)c1cccc(F)c1 ZINC000643526592 387757662 /nfs/dbraw/zinc/75/76/62/387757662.db2.gz BSYZADJGBYUECZ-SKDRFNHKSA-N 1 3 210.296 2.214 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(F)cc1F ZINC000643526576 387758937 /nfs/dbraw/zinc/75/89/37/387758937.db2.gz BFWXGWINYBMURD-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO COc1cccc2c1CC[C@@H]2N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422888911 387759259 /nfs/dbraw/zinc/75/92/59/387759259.db2.gz OGVQRTPEQZTOCX-SUNKGSAMSA-N 1 3 248.370 2.398 20 0 BEADHO Cc1nc(C)c(CCN[C@H](C)C[C@H](C)[NH3+])s1 ZINC000422885575 387761292 /nfs/dbraw/zinc/76/12/92/387761292.db2.gz HAWHDSGJYLVQTN-DTWKUNHWSA-N 1 3 241.404 2.018 20 0 BEADHO Cc1nc(C)c(CC[NH2+][C@H](C)C[C@H](C)N)s1 ZINC000422885575 387761294 /nfs/dbraw/zinc/76/12/94/387761294.db2.gz HAWHDSGJYLVQTN-DTWKUNHWSA-N 1 3 241.404 2.018 20 0 BEADHO CCCC[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000442722564 387828373 /nfs/dbraw/zinc/82/83/73/387828373.db2.gz XQEBQPKIZJUNTH-GWCFXTLKSA-N 1 3 249.358 2.162 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423008703 387832046 /nfs/dbraw/zinc/83/20/46/387832046.db2.gz UDEMXTDHNINPCA-MBNYWOFBSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423008703 387832049 /nfs/dbraw/zinc/83/20/49/387832049.db2.gz UDEMXTDHNINPCA-MBNYWOFBSA-N 1 3 236.359 2.188 20 0 BEADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423015007 387839661 /nfs/dbraw/zinc/83/96/61/387839661.db2.gz JVAZFKSSVDVEKB-NWDGAFQWSA-N 1 3 238.400 2.316 20 0 BEADHO CCCNc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000423073474 387873630 /nfs/dbraw/zinc/87/36/30/387873630.db2.gz ITFBOAINROSKPA-GJZGRUSLSA-N 1 3 247.386 2.478 20 0 BEADHO COCCC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423030339 387846501 /nfs/dbraw/zinc/84/65/01/387846501.db2.gz BIDZIYZIBICQPI-STQMWFEESA-N 1 3 242.407 2.027 20 0 BEADHO Cc1ccc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)o1 ZINC000643533742 387849111 /nfs/dbraw/zinc/84/91/11/387849111.db2.gz CPKZAQMNLLKCKO-AAEUAGOBSA-N 1 3 234.343 2.381 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1CNC1 ZINC000423040757 387852537 /nfs/dbraw/zinc/85/25/37/387852537.db2.gz VCBOQZMLLBIDSY-UZWSLXQKSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)c1ccncc1 ZINC000643460395 387874283 /nfs/dbraw/zinc/87/42/83/387874283.db2.gz YUNBEFQZZJMEBC-YUELXQCFSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cncc(F)c1 ZINC000643534756 387860431 /nfs/dbraw/zinc/86/04/31/387860431.db2.gz CHOPXEQYJQEBHT-GXFFZTMASA-N 1 3 249.333 2.013 20 0 BEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)C(F)(F)F ZINC000423052050 387860951 /nfs/dbraw/zinc/86/09/51/387860951.db2.gz OYUHSVCZIIFHOA-BBBLOLIVSA-N 1 3 238.297 2.163 20 0 BEADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc(O)c1 ZINC000643534943 387861741 /nfs/dbraw/zinc/86/17/41/387861741.db2.gz GEFTZIXJRFRUBN-BXUZGUMPSA-N 1 3 246.354 2.185 20 0 BEADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])C(F)(F)F ZINC000423056962 387863372 /nfs/dbraw/zinc/86/33/72/387863372.db2.gz YMNWYHWVEPYEAV-KXUCPTDWSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)C(F)(F)F ZINC000423056962 387863374 /nfs/dbraw/zinc/86/33/74/387863374.db2.gz YMNWYHWVEPYEAV-KXUCPTDWSA-N 1 3 238.297 2.292 20 0 BEADHO CC(C)[C@@H](CC(F)(F)F)N[C@H](C)C1C[NH2+]C1 ZINC000423059049 387864108 /nfs/dbraw/zinc/86/41/08/387864108.db2.gz KUYVBRBDQYZXGB-PSASIEDQSA-N 1 3 238.297 2.161 20 0 BEADHO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)C1CNC1 ZINC000423059049 387864116 /nfs/dbraw/zinc/86/41/16/387864116.db2.gz KUYVBRBDQYZXGB-PSASIEDQSA-N 1 3 238.297 2.161 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CNC1 ZINC000423059925 387864897 /nfs/dbraw/zinc/86/48/97/387864897.db2.gz NFDZTTAOEFXORV-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643535845 387865461 /nfs/dbraw/zinc/86/54/61/387865461.db2.gz PKTVXTJLMYOJDS-GXFFZTMASA-N 1 3 249.333 2.013 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C1CNC1 ZINC000423059928 387865773 /nfs/dbraw/zinc/86/57/73/387865773.db2.gz NFDZTTAOEFXORV-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@H](C)[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423064976 387867205 /nfs/dbraw/zinc/86/72/05/387867205.db2.gz AKZUMSHHSGBLFG-IGQOVBAYSA-N 1 3 242.407 2.310 20 0 BEADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536165 387867980 /nfs/dbraw/zinc/86/79/80/387867980.db2.gz RZFBKWTVSKCGLS-JQWIXIFHSA-N 1 3 220.316 2.072 20 0 BEADHO CO[C@H](C)[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423064977 387868018 /nfs/dbraw/zinc/86/80/18/387868018.db2.gz AKZUMSHHSGBLFG-RQJABVFESA-N 1 3 242.407 2.310 20 0 BEADHO CCC(O)(CC)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423067094 387870677 /nfs/dbraw/zinc/87/06/77/387870677.db2.gz GHZAGFNQDFNGIQ-CHWSQXEVSA-N 1 3 242.407 2.035 20 0 BEADHO CCCNc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000423073472 387874817 /nfs/dbraw/zinc/87/48/17/387874817.db2.gz ITFBOAINROSKPA-CABCVRRESA-N 1 3 247.386 2.478 20 0 BEADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](C)N ZINC000442656099 387815417 /nfs/dbraw/zinc/81/54/17/387815417.db2.gz DOCQMWPUBFETBO-GXTWGEPZSA-N 1 3 248.370 2.049 20 0 BEADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](C)N ZINC000442656099 387815421 /nfs/dbraw/zinc/81/54/21/387815421.db2.gz DOCQMWPUBFETBO-GXTWGEPZSA-N 1 3 248.370 2.049 20 0 BEADHO C[C@H](CCc1ccco1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422967862 387816299 /nfs/dbraw/zinc/81/62/99/387816299.db2.gz UOSKPIPMNLOPRQ-HABKJSAYSA-N 1 3 248.370 2.473 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422970230 387818070 /nfs/dbraw/zinc/81/80/70/387818070.db2.gz VZMNMPHSWGCCRV-KBUPBQIOSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@H]1CC[NH2+]C[C@@H]1NCCC1=CCCCC1 ZINC000422968400 387818778 /nfs/dbraw/zinc/81/87/78/387818778.db2.gz WSPVZXIUMCHGDX-JSGCOSHPSA-N 1 3 222.376 2.465 20 0 BEADHO Cc1cc([C@H](C)N[C@@H](C)CCCC[NH3+])no1 ZINC000423105775 387891174 /nfs/dbraw/zinc/89/11/74/387891174.db2.gz CKEOWQAIBZONSW-ONGXEEELSA-N 1 3 225.336 2.151 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423110912 387892380 /nfs/dbraw/zinc/89/23/80/387892380.db2.gz WGIWZWNGRBSHMD-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)[C@@H]1CCCN1 ZINC000423110912 387892383 /nfs/dbraw/zinc/89/23/83/387892383.db2.gz WGIWZWNGRBSHMD-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423110910 387892390 /nfs/dbraw/zinc/89/23/90/387892390.db2.gz WGIWZWNGRBSHMD-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)[C@H]1CCCN1 ZINC000423110910 387892391 /nfs/dbraw/zinc/89/23/91/387892391.db2.gz WGIWZWNGRBSHMD-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C1CNC1 ZINC000423110406 387893871 /nfs/dbraw/zinc/89/38/71/387893871.db2.gz HXZMRTLIZAENAV-DNOWBOINSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000423113346 387896824 /nfs/dbraw/zinc/89/68/24/387896824.db2.gz UDWKQGYHGQOPCP-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC12CCCC2 ZINC000423077821 387875991 /nfs/dbraw/zinc/87/59/91/387875991.db2.gz URYXGSABJVWXEI-SDDRHHMPSA-N 1 3 210.365 2.425 20 0 BEADHO CC(C)C1CC([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000423077636 387876703 /nfs/dbraw/zinc/87/67/03/387876703.db2.gz MLQRICWFRCOTRN-IWMBGFJWSA-N 1 3 224.392 2.399 20 0 BEADHO CCO[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1ccccc1 ZINC000423089071 387880181 /nfs/dbraw/zinc/88/01/81/387880181.db2.gz RNUHYBCHOUAMFT-SOUVJXGZSA-N 1 3 248.370 2.234 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCC1 ZINC000423086186 387880350 /nfs/dbraw/zinc/88/03/50/387880350.db2.gz LMOKRNSDDNXTCR-NWDGAFQWSA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1cccs1 ZINC000643540247 387880919 /nfs/dbraw/zinc/88/09/19/387880919.db2.gz LJBQMNUNXBDCIC-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO CC[C@H](Cc1cccs1)N[C@H](C)[C@H](C)[NH3+] ZINC000643539944 387881693 /nfs/dbraw/zinc/88/16/93/387881693.db2.gz YEJBDATZTGDBQM-HBNTYKKESA-N 1 3 226.389 2.395 20 0 BEADHO CSC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423090594 387882404 /nfs/dbraw/zinc/88/24/04/387882404.db2.gz VSXPFVNNLLDUAM-FOSCPWQOSA-N 1 3 240.416 2.145 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1ccccc1F ZINC000423095431 387884574 /nfs/dbraw/zinc/88/45/74/387884574.db2.gz MDLLCPIJBMXXPA-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCc1ccccc1F ZINC000423095431 387884577 /nfs/dbraw/zinc/88/45/77/387884577.db2.gz MDLLCPIJBMXXPA-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CC2CCC1CC2 ZINC000423124201 387903292 /nfs/dbraw/zinc/90/32/92/387903292.db2.gz GCZXDYQFCQDLGT-RQRKLZJJSA-N 1 3 210.365 2.281 20 0 BEADHO C=Cc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000423125553 387905375 /nfs/dbraw/zinc/90/53/75/387905375.db2.gz ADXJHSFMMJABKE-CJNGLKHVSA-N 1 3 244.382 2.460 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000423126546 387905486 /nfs/dbraw/zinc/90/54/86/387905486.db2.gz AVTYFZJRPLYGSL-AJNGGQMLSA-N 1 3 230.355 2.260 20 0 BEADHO C[C@H]1CC[NH2+]C[C@H]1NC1CC(C(C)(C)C)C1 ZINC000423131759 387910368 /nfs/dbraw/zinc/91/03/68/387910368.db2.gz IKXRHERYUJERJL-YWPUVAFDSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1cccnc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423151969 387929601 /nfs/dbraw/zinc/92/96/01/387929601.db2.gz LAJIHAIZTSXXRZ-ZFWWWQNUSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000423156383 387937354 /nfs/dbraw/zinc/93/73/54/387937354.db2.gz SILLMZKOBQILJP-GRYCIOLGSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCC1(F)F ZINC000423156383 387937358 /nfs/dbraw/zinc/93/73/58/387937358.db2.gz SILLMZKOBQILJP-GRYCIOLGSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423157656 387936173 /nfs/dbraw/zinc/93/61/73/387936173.db2.gz BKNZWJQKWIZFAK-YVECIDJPSA-N 1 3 242.407 2.153 20 0 BEADHO Cc1cccc2c1OC[C@H](N[C@H](C)C[C@H](C)[NH3+])C2 ZINC000423144411 387920171 /nfs/dbraw/zinc/92/01/71/387920171.db2.gz YWIZXVORNITQEH-OUCADQQQSA-N 1 3 248.370 2.014 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CSc2ccccc21 ZINC000423142907 387921589 /nfs/dbraw/zinc/92/15/89/387921589.db2.gz BPHRLAIRYCANDY-RTXFEEFZSA-N 1 3 248.395 2.345 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145447 387922499 /nfs/dbraw/zinc/92/24/99/387922499.db2.gz KROIIFBEYNSCBR-QCNOEVLYSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC1(F)F ZINC000423146645 387924891 /nfs/dbraw/zinc/92/48/91/387924891.db2.gz BAGKFZYVMDYAIM-IVZWLZJFSA-N 1 3 220.307 2.137 20 0 BEADHO CC[C@@H](NC[C@@H]1C[C@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000423158626 387938119 /nfs/dbraw/zinc/93/81/19/387938119.db2.gz WWGMUSRKVMJTTH-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1CC)[C@@H]1CCCN1 ZINC000423158626 387938122 /nfs/dbraw/zinc/93/81/22/387938122.db2.gz WWGMUSRKVMJTTH-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000423160763 387940684 /nfs/dbraw/zinc/94/06/84/387940684.db2.gz HULSAPNJPIRPMA-QNWHQSFQSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)C1CCCC1 ZINC000423162462 387942797 /nfs/dbraw/zinc/94/27/97/387942797.db2.gz PILCVAHVKMSHSI-GWCFXTLKSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CCNCC1 ZINC000423162124 387942824 /nfs/dbraw/zinc/94/28/24/387942824.db2.gz KNFSGTQRJQWPHD-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@]1(C(C)C)C[C@H]1NC1CC[NH2+]CC1 ZINC000423162124 387942829 /nfs/dbraw/zinc/94/28/29/387942829.db2.gz KNFSGTQRJQWPHD-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162398 387944540 /nfs/dbraw/zinc/94/45/40/387944540.db2.gz LAHCWWPJWNOWLQ-XUXIUFHCSA-N 1 3 222.376 2.140 20 0 BEADHO CCC1([NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000423163981 387946663 /nfs/dbraw/zinc/94/66/63/387946663.db2.gz WIOSOXVAQQAHAJ-LLVKDONJSA-N 1 3 233.359 2.442 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1C[C@H]1c1ccccc1F ZINC000423166820 387950747 /nfs/dbraw/zinc/95/07/47/387950747.db2.gz DLJNNQQSYAIAJO-DZGBDDFRSA-N 1 3 248.345 2.399 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423166820 387950750 /nfs/dbraw/zinc/95/07/50/387950750.db2.gz DLJNNQQSYAIAJO-DZGBDDFRSA-N 1 3 248.345 2.399 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000423165962 387950821 /nfs/dbraw/zinc/95/08/21/387950821.db2.gz YOCXXKPHTVUIDI-NEPJUHHUSA-N 1 3 210.365 2.319 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+]CC1(N)CCCCC1 ZINC000423175065 387962356 /nfs/dbraw/zinc/96/23/56/387962356.db2.gz CSWKIJRZLPUNON-LBPRGKRZSA-N 1 3 236.359 2.462 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423180559 387966881 /nfs/dbraw/zinc/96/68/81/387966881.db2.gz FFIKPTSZOWRXDZ-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423194866 387979519 /nfs/dbraw/zinc/97/95/19/387979519.db2.gz RYPLXRBIBGKWJF-JSGCOSHPSA-N 1 3 233.359 2.046 20 0 BEADHO COc1ccc([C@H](NCCC[NH3+])C(C)C)cc1 ZINC000423195437 387979666 /nfs/dbraw/zinc/97/96/66/387979666.db2.gz SNCCVWYZBITARD-CQSZACIVSA-N 1 3 236.359 2.331 20 0 BEADHO NCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000423196208 387981481 /nfs/dbraw/zinc/98/14/81/387981481.db2.gz UVKUNQINMJTHLT-UHFFFAOYSA-N 1 3 240.391 2.195 20 0 BEADHO CNCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000423201689 387987328 /nfs/dbraw/zinc/98/73/28/387987328.db2.gz POWYNTGTXXWYJV-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423202645 387989626 /nfs/dbraw/zinc/98/96/26/387989626.db2.gz BIDKTDBFGDOCNU-FRRDWIJNSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCCCC2)[C@H](C)O1 ZINC000423204551 387990034 /nfs/dbraw/zinc/99/00/34/387990034.db2.gz URJYHAJBJJWZTG-FRRDWIJNSA-N 1 3 240.391 2.194 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCNC ZINC000423205042 387991018 /nfs/dbraw/zinc/99/10/18/387991018.db2.gz VBYYVRYGRDSEFL-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423208366 387992947 /nfs/dbraw/zinc/99/29/47/387992947.db2.gz HTRPWSVCKICAHC-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1CC1(C)C ZINC000423212299 387994616 /nfs/dbraw/zinc/99/46/16/387994616.db2.gz IAOWMHFYQDPLRM-RNJOBUHISA-N 1 3 224.392 2.399 20 0 BEADHO [NH3+]CCCN[C@H]1CCCc2cc(F)ccc21 ZINC000423196874 387982133 /nfs/dbraw/zinc/98/21/33/387982133.db2.gz WTOHAXPTHIOTSA-ZDUSSCGKSA-N 1 3 222.307 2.142 20 0 BEADHO C[NH2+]CCCN[C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423198062 387983219 /nfs/dbraw/zinc/98/32/19/387983219.db2.gz CUIFOYQCGAXFIM-CHWSQXEVSA-N 1 3 242.407 2.025 20 0 BEADHO CCC[C@H]([NH2+]CCCNC)C(C)(C)C ZINC000423198894 387985379 /nfs/dbraw/zinc/98/53/79/387985379.db2.gz IOGGPLFHEKTMGB-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO CCC[C@H](C)[C@@H](CC)[NH2+]CCCNC ZINC000423199117 387986083 /nfs/dbraw/zinc/98/60/83/387986083.db2.gz JCLPXYJJCYKJJV-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423226808 388010954 /nfs/dbraw/zinc/01/09/54/388010954.db2.gz SKJAAHZTZANQRF-WFASDCNBSA-N 1 3 232.371 2.335 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423216867 387999462 /nfs/dbraw/zinc/99/94/62/387999462.db2.gz PFUIWXFGHZXKSF-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CCC1CC([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000423218004 387999972 /nfs/dbraw/zinc/99/99/72/387999972.db2.gz QYJLLYUGHZNOOR-QCXCNERSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCNC1 ZINC000423221094 388002528 /nfs/dbraw/zinc/00/25/28/388002528.db2.gz WFNAUWOCNFVBDM-RWMBFGLXSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)[C@H](NCC[C@H](C)[NH3+])c1cccnc1 ZINC000423222490 388004699 /nfs/dbraw/zinc/00/46/99/388004699.db2.gz BHEOVMOSZXZSTM-AAEUAGOBSA-N 1 3 221.348 2.106 20 0 BEADHO Cc1ccc([C@H](C)NCC[C@H](C)[NH3+])s1 ZINC000423226473 388008825 /nfs/dbraw/zinc/00/88/25/388008825.db2.gz QVYJKVFJAHIDNR-WPRPVWTQSA-N 1 3 212.362 2.444 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000423226317 388009913 /nfs/dbraw/zinc/00/99/13/388009913.db2.gz QGINQTLUWZPOLH-UWVGGRQHSA-N 1 3 212.381 2.384 20 0 BEADHO C[NH2+]CCN[C@@H]1CCC[C@H](CC(C)C)C1 ZINC000423240002 388023678 /nfs/dbraw/zinc/02/36/78/388023678.db2.gz GRIUCJUMDHZBOH-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@H]1CCCC12CCCC2 ZINC000423242153 388023860 /nfs/dbraw/zinc/02/38/60/388023860.db2.gz VJWJQRHXBAQVCB-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000423240451 388024335 /nfs/dbraw/zinc/02/43/35/388024335.db2.gz GXPISTKSAPNJLK-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCN[C@@H](C)C1CCC(F)(F)CC1 ZINC000423240455 388024455 /nfs/dbraw/zinc/02/44/55/388024455.db2.gz GXXGRNZFMSOHCD-VIFPVBQESA-N 1 3 220.307 2.009 20 0 BEADHO Cc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423241483 388024738 /nfs/dbraw/zinc/02/47/38/388024738.db2.gz XVZWGZJCUDZONU-NWDGAFQWSA-N 1 3 206.333 2.383 20 0 BEADHO CCN1CC[C@H]([N@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273034 388025292 /nfs/dbraw/zinc/02/52/92/388025292.db2.gz AICNSSLIIGHRCQ-ZFWWWQNUSA-N 1 3 247.386 2.244 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273034 388025295 /nfs/dbraw/zinc/02/52/95/388025295.db2.gz AICNSSLIIGHRCQ-ZFWWWQNUSA-N 1 3 247.386 2.244 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000246182603 388016652 /nfs/dbraw/zinc/01/66/52/388016652.db2.gz HDNZWWZZVXWBII-STQMWFEESA-N 1 3 212.381 2.306 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000246182603 388016656 /nfs/dbraw/zinc/01/66/56/388016656.db2.gz HDNZWWZZVXWBII-STQMWFEESA-N 1 3 212.381 2.306 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@@H]1CCCF ZINC000423234162 388019381 /nfs/dbraw/zinc/01/93/81/388019381.db2.gz LEIBLOQNITXRID-NEPJUHHUSA-N 1 3 216.344 2.104 20 0 BEADHO CCCC[C@@H](C)[C@@H](C)NCC[NH2+]CC ZINC000423239013 388022010 /nfs/dbraw/zinc/02/20/10/388022010.db2.gz RNFVROBRYKPQRF-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000423253796 388035482 /nfs/dbraw/zinc/03/54/82/388035482.db2.gz WIGWCJZQKSHGGK-NEPJUHHUSA-N 1 3 236.334 2.476 20 0 BEADHO Cc1ccnc([C@@H](C)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000423256608 388036425 /nfs/dbraw/zinc/03/64/25/388036425.db2.gz CEFOUGZWQGGADI-ZIAGYGMSSA-N 1 3 247.386 2.430 20 0 BEADHO Cc1ccc([C@H](C)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000423254670 388037219 /nfs/dbraw/zinc/03/72/19/388037219.db2.gz ZBZPXVPZPMOUID-RYUDHWBXSA-N 1 3 222.332 2.238 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000423255433 388037526 /nfs/dbraw/zinc/03/75/26/388037526.db2.gz CBRLDXCQFSXJGX-VXGBXAGGSA-N 1 3 222.332 2.320 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCc2ccccc21 ZINC000423262703 388039914 /nfs/dbraw/zinc/03/99/14/388039914.db2.gz NFHMJSKZABALDG-KBPBESRZSA-N 1 3 218.344 2.247 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423264864 388041557 /nfs/dbraw/zinc/04/15/57/388041557.db2.gz CJDSETBFBLVZFQ-XHDPSFHLSA-N 1 3 248.370 2.351 20 0 BEADHO CSCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982784 388042688 /nfs/dbraw/zinc/04/26/88/388042688.db2.gz BVZGTHZHIBGPLJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982784 388042692 /nfs/dbraw/zinc/04/26/92/388042692.db2.gz BVZGTHZHIBGPLJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000159982784 388042694 /nfs/dbraw/zinc/04/26/94/388042694.db2.gz BVZGTHZHIBGPLJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000083056516 388043991 /nfs/dbraw/zinc/04/39/91/388043991.db2.gz GOIMDCYUHFDILZ-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CC(C)(C)C ZINC000423271967 388051321 /nfs/dbraw/zinc/05/13/21/388051321.db2.gz JMZVNNMWNVPPRE-WDEREUQCSA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000423271965 388052076 /nfs/dbraw/zinc/05/20/76/388052076.db2.gz JMZVNNMWNVPPRE-MNOVXSKESA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000423273274 388053658 /nfs/dbraw/zinc/05/36/58/388053658.db2.gz KNOLHKKIHJPQJX-SRVKXCTJSA-N 1 3 212.381 2.256 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2ccc(C)cc21 ZINC000423274633 388055145 /nfs/dbraw/zinc/05/51/45/388055145.db2.gz MEPKJRWQZXOMBW-WFASDCNBSA-N 1 3 232.371 2.427 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423278530 388059953 /nfs/dbraw/zinc/05/99/53/388059953.db2.gz RHZYNFGVWCYULC-KBPBESRZSA-N 1 3 249.402 2.238 20 0 BEADHO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CNC ZINC000423279094 388060755 /nfs/dbraw/zinc/06/07/55/388060755.db2.gz RXNRSHAJPXJUJX-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423278531 388060773 /nfs/dbraw/zinc/06/07/73/388060773.db2.gz RHZYNFGVWCYULC-KGLIPLIRSA-N 1 3 249.402 2.238 20 0 BEADHO CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccncc1 ZINC000423277986 388060924 /nfs/dbraw/zinc/06/09/24/388060924.db2.gz QEYZBBCJQALBOY-STQMWFEESA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423279565 388062087 /nfs/dbraw/zinc/06/20/87/388062087.db2.gz RNEYPUVCNWQOJC-MRVWCRGKSA-N 1 3 236.359 2.318 20 0 BEADHO CCC[C@H]([NH2+]C[C@H](C)CNC)C1CCC1 ZINC000423280640 388062620 /nfs/dbraw/zinc/06/26/20/388062620.db2.gz VAPKRCHQNGAOLU-YPMHNXCESA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1 ZINC000084215454 388073916 /nfs/dbraw/zinc/07/39/16/388073916.db2.gz AQVMHPUPDGCRMP-UONOGXRCSA-N 1 3 218.344 2.294 20 0 BEADHO CC(C)CO[C@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423290371 388074558 /nfs/dbraw/zinc/07/45/58/388074558.db2.gz ZVPBVTYNUZSPEP-RYUDHWBXSA-N 1 3 242.407 2.153 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(F)cc1 ZINC000084217741 388074991 /nfs/dbraw/zinc/07/49/91/388074991.db2.gz ADVNANUONCYZQX-DGCLKSJQSA-N 1 3 222.307 2.043 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(F)c1 ZINC000084218474 388075166 /nfs/dbraw/zinc/07/51/66/388075166.db2.gz ILKOPSIHLNOYFY-AAEUAGOBSA-N 1 3 222.307 2.043 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](C)c1cc2c(s1)CCC2 ZINC000423294811 388077367 /nfs/dbraw/zinc/07/73/67/388077367.db2.gz CUFCCGPWYUAFDK-NXEZZACHSA-N 1 3 238.400 2.482 20 0 BEADHO CCc1nc(C)c([C@@H](C)NC[C@@H](C)C[NH3+])s1 ZINC000423295548 388077450 /nfs/dbraw/zinc/07/74/50/388077450.db2.gz FCRMAJBFRHSWLK-DTWKUNHWSA-N 1 3 241.404 2.259 20 0 BEADHO Cc1ccc(C[N@@H+](C)C2CCNCC2)c(C)c1 ZINC000084517097 388079307 /nfs/dbraw/zinc/07/93/07/388079307.db2.gz WRKVBCDKDPVTDS-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C[N@H+](C)C2CCNCC2)c(C)c1 ZINC000084517097 388079310 /nfs/dbraw/zinc/07/93/10/388079310.db2.gz WRKVBCDKDPVTDS-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000423297643 388080256 /nfs/dbraw/zinc/08/02/56/388080256.db2.gz LDDUONMPNRSWGX-NHYWBVRUSA-N 1 3 248.370 2.257 20 0 BEADHO CC(C)[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000324262460 388115358 /nfs/dbraw/zinc/11/53/58/388115358.db2.gz LXTTZTYLJAWNKJ-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1cccs1 ZINC000086494979 388103203 /nfs/dbraw/zinc/10/32/03/388103203.db2.gz XBJGKLGOFMTUGY-RYUDHWBXSA-N 1 3 238.400 2.411 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCNC1 ZINC000086727233 388107465 /nfs/dbraw/zinc/10/74/65/388107465.db2.gz XDURAUDPZJQLCS-AAVRWANBSA-N 1 3 224.392 2.399 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1c2ccccc2C[C@@H]1C ZINC000423267430 388045305 /nfs/dbraw/zinc/04/53/05/388045305.db2.gz DZEGAAHELRUIEK-SLEUVZQESA-N 1 3 232.371 2.365 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453332240 388048705 /nfs/dbraw/zinc/04/87/05/388048705.db2.gz VTNFZKLMTDQAFK-DACWGTRXSA-N 1 3 222.376 2.415 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453332240 388048709 /nfs/dbraw/zinc/04/87/09/388048709.db2.gz VTNFZKLMTDQAFK-DACWGTRXSA-N 1 3 222.376 2.415 20 0 BEADHO C1CC1[C@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000324843458 388125057 /nfs/dbraw/zinc/12/50/57/388125057.db2.gz XESHORAVMSBKMS-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000324875049 388125381 /nfs/dbraw/zinc/12/53/81/388125381.db2.gz CPDSLZNPEKIOKM-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449089318 388141595 /nfs/dbraw/zinc/14/15/95/388141595.db2.gz JWELQWYAMXSTDC-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449089318 388141597 /nfs/dbraw/zinc/14/15/97/388141597.db2.gz JWELQWYAMXSTDC-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449089318 388141598 /nfs/dbraw/zinc/14/15/98/388141598.db2.gz JWELQWYAMXSTDC-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CCCN[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000449124153 388145335 /nfs/dbraw/zinc/14/53/35/388145335.db2.gz FSTBTXRWDFTCGE-MNOVXSKESA-N 1 3 249.358 2.033 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+]CCCN ZINC000166663917 388255048 /nfs/dbraw/zinc/25/50/48/388255048.db2.gz BPEMVRAAUAUBHF-MRVPVSSYSA-N 1 3 212.259 2.046 20 0 BEADHO C[C@H](Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561257 388233037 /nfs/dbraw/zinc/23/30/37/388233037.db2.gz TWGOTNVPZXUEOL-JZIBPQBNSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@H](Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561257 388233039 /nfs/dbraw/zinc/23/30/39/388233039.db2.gz TWGOTNVPZXUEOL-JZIBPQBNSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1CN ZINC000164665351 388242162 /nfs/dbraw/zinc/24/21/62/388242162.db2.gz SBIHQKKKMLLHFJ-RYUDHWBXSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1CN ZINC000164665351 388242164 /nfs/dbraw/zinc/24/21/64/388242164.db2.gz SBIHQKKKMLLHFJ-RYUDHWBXSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000164659520 388242311 /nfs/dbraw/zinc/24/23/11/388242311.db2.gz VLLGTZBBXFOEDW-OLZOCXBDSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000164659520 388242314 /nfs/dbraw/zinc/24/23/14/388242314.db2.gz VLLGTZBBXFOEDW-OLZOCXBDSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164659520 388242316 /nfs/dbraw/zinc/24/23/16/388242316.db2.gz VLLGTZBBXFOEDW-OLZOCXBDSA-N 1 3 212.381 2.339 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000451491154 388277333 /nfs/dbraw/zinc/27/73/33/388277333.db2.gz ILQPVIXFVSZTAH-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1C[C@@H](OC)C1(C)C ZINC000451491154 388277336 /nfs/dbraw/zinc/27/73/36/388277336.db2.gz ILQPVIXFVSZTAH-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000451491152 388277565 /nfs/dbraw/zinc/27/75/65/388277565.db2.gz ILQPVIXFVSZTAH-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1C[C@@H](OC)C1(C)C ZINC000451491152 388277566 /nfs/dbraw/zinc/27/75/66/388277566.db2.gz ILQPVIXFVSZTAH-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cnccc1C[NH2+]CC(C)(C)CN(C)C ZINC000294835591 388405677 /nfs/dbraw/zinc/40/56/77/388405677.db2.gz STNNONIBDOEAGH-UHFFFAOYSA-N 1 3 235.375 2.067 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000300785730 388393843 /nfs/dbraw/zinc/39/38/43/388393843.db2.gz BEBQREPYARJJFF-MXWKQRLJSA-N 1 3 232.318 2.091 20 0 BEADHO CC[N@H+](CCN)Cc1cc(C)c(C)cc1C ZINC000300802053 388396337 /nfs/dbraw/zinc/39/63/37/388396337.db2.gz JGIZOOKFZNOWQJ-UHFFFAOYSA-N 1 3 220.360 2.392 20 0 BEADHO CC[N@@H+](CCN)Cc1cc(C)c(C)cc1C ZINC000300802053 388396341 /nfs/dbraw/zinc/39/63/41/388396341.db2.gz JGIZOOKFZNOWQJ-UHFFFAOYSA-N 1 3 220.360 2.392 20 0 BEADHO C[C@H](NC1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000335158293 388449192 /nfs/dbraw/zinc/44/91/92/388449192.db2.gz SBZADZFRFGKSEY-JQWIXIFHSA-N 1 3 228.405 2.002 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCCN[C@H]2C)s1 ZINC000335354941 388449956 /nfs/dbraw/zinc/44/99/56/388449956.db2.gz FBOMCOGRGQHBHH-JQWIXIFHSA-N 1 3 224.373 2.287 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCCN[C@@H]2C)c1 ZINC000335641678 388452321 /nfs/dbraw/zinc/45/23/21/388452321.db2.gz CVLVZRKAYMDAKE-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)CN(C)C ZINC000336725245 388469771 /nfs/dbraw/zinc/46/97/71/388469771.db2.gz BKNZYWTYRZXGBA-RYUDHWBXSA-N 1 3 244.448 2.305 20 0 BEADHO CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC1 ZINC000086404236 256792281 /nfs/dbraw/zinc/79/22/81/256792281.db2.gz JWTCIMSZIBUOQC-NWDGAFQWSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1CC1(C)C ZINC000397789619 388499500 /nfs/dbraw/zinc/49/95/00/388499500.db2.gz KSYJMSKCIOUJTN-QJPTWQEYSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H]([NH2+]CCCNC1CC1)[C@H]1CC1(C)C ZINC000397867825 388507231 /nfs/dbraw/zinc/50/72/31/388507231.db2.gz ZHGCHGBBQHNUBG-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@H](CN1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000379232142 388599536 /nfs/dbraw/zinc/59/95/36/388599536.db2.gz STVCTTYVGSLHTR-BPLDGKMQSA-N 1 3 248.370 2.043 20 0 BEADHO CO[C@H](CN1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000379232144 388599619 /nfs/dbraw/zinc/59/96/19/388599619.db2.gz STVCTTYVGSLHTR-VHDGCEQUSA-N 1 3 248.370 2.043 20 0 BEADHO CC/C=C/CC[NH+]1CCC(N(C)C)CC1 ZINC000184441558 388578578 /nfs/dbraw/zinc/57/85/78/388578578.db2.gz QRJVZOZBYVZUGS-AATRIKPKSA-N 1 3 210.365 2.369 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2CN)C[C@H](C)O1 ZINC000521983283 388672647 /nfs/dbraw/zinc/67/26/47/388672647.db2.gz NTEBJVOAECPJMX-ZUWCUPBKSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530176289 388620416 /nfs/dbraw/zinc/62/04/16/388620416.db2.gz AKINQRPZNMKSAE-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530179166 388621916 /nfs/dbraw/zinc/62/19/16/388621916.db2.gz UVYVXXPSBXXJJZ-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530179166 388621919 /nfs/dbraw/zinc/62/19/19/388621919.db2.gz UVYVXXPSBXXJJZ-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178834 388622002 /nfs/dbraw/zinc/62/20/02/388622002.db2.gz OKRLVJDNBWOOSB-ZYHUDNBSSA-N 1 3 208.349 2.049 20 0 BEADHO CCC[C@@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530178053 388622050 /nfs/dbraw/zinc/62/20/50/388622050.db2.gz NYEKFTYTHWFXEE-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO C1CC1[C@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530177348 388622169 /nfs/dbraw/zinc/62/21/69/388622169.db2.gz GKAQNJUFTXKSKE-HZSPNIEDSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530177348 388622171 /nfs/dbraw/zinc/62/21/71/388622171.db2.gz GKAQNJUFTXKSKE-HZSPNIEDSA-N 1 3 234.387 2.439 20 0 BEADHO F[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000551310083 388626970 /nfs/dbraw/zinc/62/69/70/388626970.db2.gz TUNDDQIWFRCZHI-KGLIPLIRSA-N 1 3 240.366 2.341 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530215990 388628750 /nfs/dbraw/zinc/62/87/50/388628750.db2.gz LKHRGPUYSXWMOP-QWHCGFSZSA-N 1 3 208.349 2.060 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530215988 388629185 /nfs/dbraw/zinc/62/91/85/388629185.db2.gz LKHRGPUYSXWMOP-CHWSQXEVSA-N 1 3 208.349 2.060 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530213618 388629215 /nfs/dbraw/zinc/62/92/15/388629215.db2.gz AYFDVPZMQIBDGM-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000530223363 388634610 /nfs/dbraw/zinc/63/46/10/388634610.db2.gz UMZACTKWUVGOFL-YXQSOJMXSA-N 1 3 245.370 2.058 20 0 BEADHO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)N ZINC000530233652 388636486 /nfs/dbraw/zinc/63/64/86/388636486.db2.gz ZPUIPIUTJBBOED-LBPRGKRZSA-N 1 3 236.359 2.254 20 0 BEADHO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](C)N ZINC000530233652 388636487 /nfs/dbraw/zinc/63/64/87/388636487.db2.gz ZPUIPIUTJBBOED-LBPRGKRZSA-N 1 3 236.359 2.254 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)C(C)C)C1 ZINC000247056024 388657697 /nfs/dbraw/zinc/65/76/97/388657697.db2.gz NMLVNUJEHIOCNI-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO C[N@H+](Cc1ccc2c(c1)CNCC2)C1CCC1 ZINC000143852938 388738610 /nfs/dbraw/zinc/73/86/10/388738610.db2.gz HARXBOJQLZFTRO-UHFFFAOYSA-N 1 3 230.355 2.317 20 0 BEADHO C[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCC1 ZINC000143852938 388738613 /nfs/dbraw/zinc/73/86/13/388738613.db2.gz HARXBOJQLZFTRO-UHFFFAOYSA-N 1 3 230.355 2.317 20 0 BEADHO c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248755681 388693605 /nfs/dbraw/zinc/69/36/05/388693605.db2.gz IONPZCPSSSCTFZ-HOTGVXAUSA-N 1 3 244.382 2.446 20 0 BEADHO c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248755681 388693608 /nfs/dbraw/zinc/69/36/08/388693608.db2.gz IONPZCPSSSCTFZ-HOTGVXAUSA-N 1 3 244.382 2.446 20 0 BEADHO CCC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000249396021 388719543 /nfs/dbraw/zinc/71/95/43/388719543.db2.gz SUOIYUUXAWCDRU-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCC[C@H](C)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000249396021 388719546 /nfs/dbraw/zinc/71/95/46/388719546.db2.gz SUOIYUUXAWCDRU-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO C[N@H+](CCC(C)(C)C)[C@@H]1CCCNCC1 ZINC000226448846 388719991 /nfs/dbraw/zinc/71/99/91/388719991.db2.gz XTZBEMOJDLYEEF-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[N@@H+](CCC(C)(C)C)[C@@H]1CCCNCC1 ZINC000226448846 388719993 /nfs/dbraw/zinc/71/99/93/388719993.db2.gz XTZBEMOJDLYEEF-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228152676 388771528 /nfs/dbraw/zinc/77/15/28/388771528.db2.gz PMGFEGCVGCHVNX-QWRGUYRKSA-N 1 3 224.373 2.226 20 0 BEADHO CCOC[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000128553713 388772422 /nfs/dbraw/zinc/77/24/22/388772422.db2.gz BWEAWHYGZOGJIB-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000128553713 388772427 /nfs/dbraw/zinc/77/24/27/388772427.db2.gz BWEAWHYGZOGJIB-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000128553713 388772432 /nfs/dbraw/zinc/77/24/32/388772432.db2.gz BWEAWHYGZOGJIB-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](CC)C2CC2)C1 ZINC000252717145 388775675 /nfs/dbraw/zinc/77/56/75/388775675.db2.gz ZWAFCOFRNMHMNP-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228987609 388778277 /nfs/dbraw/zinc/77/82/77/388778277.db2.gz JFLMCKHONSKUBU-XQQFMLRXSA-N 1 3 212.381 2.339 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228987609 388778280 /nfs/dbraw/zinc/77/82/80/388778280.db2.gz JFLMCKHONSKUBU-XQQFMLRXSA-N 1 3 212.381 2.339 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCc2cccc(F)c2)C1 ZINC000093211034 388829099 /nfs/dbraw/zinc/82/90/99/388829099.db2.gz NUFBFTKCYYGNCG-UONOGXRCSA-N 1 3 236.334 2.228 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000093211034 388829104 /nfs/dbraw/zinc/82/91/04/388829104.db2.gz NUFBFTKCYYGNCG-UONOGXRCSA-N 1 3 236.334 2.228 20 0 BEADHO COC[C@H](C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000129607057 388858369 /nfs/dbraw/zinc/85/83/69/388858369.db2.gz XZMMGQDKWYWGIC-GFCCVEGCSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)C1CNC1 ZINC000564988686 388905461 /nfs/dbraw/zinc/90/54/61/388905461.db2.gz NSYDROGYTNPUTO-YWPUVAFDSA-N 1 3 222.376 2.010 20 0 BEADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2F)C1 ZINC000565313674 388936912 /nfs/dbraw/zinc/93/69/12/388936912.db2.gz MNCABZDSHFMZSD-NNYUYHANSA-N 1 3 214.328 2.127 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)CCc1ccco1 ZINC000565475066 388947940 /nfs/dbraw/zinc/94/79/40/388947940.db2.gz LPICWHRYWZGFHU-NWDGAFQWSA-N 1 3 224.348 2.046 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000565475066 388947942 /nfs/dbraw/zinc/94/79/42/388947942.db2.gz LPICWHRYWZGFHU-NWDGAFQWSA-N 1 3 224.348 2.046 20 0 BEADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cncc(F)c1 ZINC000271883887 389025464 /nfs/dbraw/zinc/02/54/64/389025464.db2.gz QDUNSTBJQADAAP-LLVKDONJSA-N 1 3 249.333 2.133 20 0 BEADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cncc(F)c1 ZINC000271883887 389025469 /nfs/dbraw/zinc/02/54/69/389025469.db2.gz QDUNSTBJQADAAP-LLVKDONJSA-N 1 3 249.333 2.133 20 0 BEADHO C([NH2+][C@@H]1CCCNCC1)C1CCCCC1 ZINC000168717318 533368977 /nfs/dbraw/zinc/36/89/77/533368977.db2.gz IKIYLCALZSZWAU-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000400482276 533434056 /nfs/dbraw/zinc/43/40/56/533434056.db2.gz CIDSBBVCWATRED-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(N2CC[NH2+][C@H](C)C2)c2ccccc2n1 ZINC000052783496 132229524 /nfs/dbraw/zinc/22/95/24/132229524.db2.gz DWZGWZISVZYJBI-GFCCVEGCSA-N 1 3 241.338 2.341 20 0 BEADHO CCC[NH+](CCC)CCCNC1CC(OC)C1 ZINC000347179072 133811310 /nfs/dbraw/zinc/81/13/10/133811310.db2.gz ABLGAASKPUINJU-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000168693555 134242438 /nfs/dbraw/zinc/24/24/38/134242438.db2.gz KFZULCLPVQNGFO-JSGCOSHPSA-N 1 3 218.344 2.479 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000168702509 134246465 /nfs/dbraw/zinc/24/64/65/134246465.db2.gz XMAXGFPILDAGTE-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](Cc1cccs1)N[C@@H]1CCC[NH2+]CC1 ZINC000168723640 134247319 /nfs/dbraw/zinc/24/73/19/134247319.db2.gz ROZVKNNGDLVYSZ-NWDGAFQWSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCNCC1 ZINC000168723640 134247320 /nfs/dbraw/zinc/24/73/20/134247320.db2.gz ROZVKNNGDLVYSZ-NWDGAFQWSA-N 1 3 238.400 2.411 20 0 BEADHO [NH3+][C@H]1C[C@H](NCC2CC2)c2ccccc21 ZINC000169232480 134250251 /nfs/dbraw/zinc/25/02/51/134250251.db2.gz MUEQIPSIOVLDGY-STQMWFEESA-N 1 3 202.301 2.131 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000219319125 134281499 /nfs/dbraw/zinc/28/14/99/134281499.db2.gz ADUSIJYVSWWVMT-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](CC[NH3+])NCc1cccc(Cl)c1 ZINC000220483030 134305276 /nfs/dbraw/zinc/30/52/76/134305276.db2.gz HRENNMFHQNCNNC-SECBINFHSA-N 1 3 212.724 2.167 20 0 BEADHO Cc1cccc(CN[C@@H](C)CC[NH3+])c1C ZINC000220528625 134309768 /nfs/dbraw/zinc/30/97/68/134309768.db2.gz MLXULTKRLHTUQM-NSHDSACASA-N 1 3 206.333 2.130 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312133 /nfs/dbraw/zinc/31/21/33/134312133.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 1 3 240.467 2.280 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312134 /nfs/dbraw/zinc/31/21/34/134312134.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 1 3 240.467 2.280 20 0 BEADHO C[N@@H+]1CCC[C@@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312135 /nfs/dbraw/zinc/31/21/35/134312135.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 1 3 240.467 2.280 20 0 BEADHO C[N@H+]1CCC[C@@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000178629255 134312136 /nfs/dbraw/zinc/31/21/36/134312136.db2.gz FWVDWNAGQWSCES-OLZOCXBDSA-N 1 3 240.467 2.280 20 0 BEADHO CC[C@@H](C)CN(C)CCC[NH+]1CCCC1 ZINC000179309684 134320111 /nfs/dbraw/zinc/32/01/11/134320111.db2.gz ZKORIVSUVXKBSW-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000226419705 134365920 /nfs/dbraw/zinc/36/59/20/134365920.db2.gz NDAGZHGCYBWEQL-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226419705 134365921 /nfs/dbraw/zinc/36/59/21/134365921.db2.gz NDAGZHGCYBWEQL-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO COC[C@H](C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540160 134382885 /nfs/dbraw/zinc/38/28/85/134382885.db2.gz UKTPNPCHGRIBIU-LERXQTSPSA-N 1 3 234.343 2.003 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCCCC1 ZINC000163630189 135022674 /nfs/dbraw/zinc/02/26/74/135022674.db2.gz YPHVMPSRDRPHIK-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]CCCN1CCCCC1 ZINC000163630400 135022980 /nfs/dbraw/zinc/02/29/80/135022980.db2.gz YPHVMPSRDRPHIK-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251327677 135068112 /nfs/dbraw/zinc/06/81/12/135068112.db2.gz MUAWYPUPNOEPCQ-XQQFMLRXSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H](CCN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000251280334 135068174 /nfs/dbraw/zinc/06/81/74/135068174.db2.gz ZBRDSZZLKCOBMI-KBMXLJTQSA-N 1 3 244.382 2.331 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252028708 135082477 /nfs/dbraw/zinc/08/24/77/135082477.db2.gz YVGHZDKCZGZPLW-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252175278 135086015 /nfs/dbraw/zinc/08/60/15/135086015.db2.gz OUXRQVDXXIDWEB-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252732460 135104777 /nfs/dbraw/zinc/10/47/77/135104777.db2.gz VDXFCZBOUYYXFI-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252732460 135104778 /nfs/dbraw/zinc/10/47/78/135104778.db2.gz VDXFCZBOUYYXFI-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252732460 135104779 /nfs/dbraw/zinc/10/47/79/135104779.db2.gz VDXFCZBOUYYXFI-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](O)C[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252751543 135107625 /nfs/dbraw/zinc/10/76/25/135107625.db2.gz GRXBOFOXLFVHJM-XDQVBPFNSA-N 1 3 242.407 2.046 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000252793615 135110946 /nfs/dbraw/zinc/11/09/46/135110946.db2.gz XMAXGFPILDAGTE-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000253234649 135124899 /nfs/dbraw/zinc/12/48/99/135124899.db2.gz DIFWHHWQDABYPI-SDDRHHMPSA-N 1 3 210.365 2.282 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944837 135136027 /nfs/dbraw/zinc/13/60/27/135136027.db2.gz KEHNPCXDVOZHNT-VXGBXAGGSA-N 1 3 224.735 2.309 20 0 BEADHO Fc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000257695709 135139746 /nfs/dbraw/zinc/13/97/46/135139746.db2.gz OTFITLZYXYCSGI-UHFFFAOYSA-N 1 3 248.345 2.401 20 0 BEADHO C[C@@H](c1cccnc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257751463 135141792 /nfs/dbraw/zinc/14/17/92/135141792.db2.gz UWXNQHFHTOXNMX-ZDUSSCGKSA-N 1 3 245.370 2.218 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H](C)c1ccccc1 ZINC000087472225 135142948 /nfs/dbraw/zinc/14/29/48/135142948.db2.gz QIMHNNHPOKIUCZ-CYBMUJFWSA-N 1 3 220.360 2.331 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)s1 ZINC000261529414 135155869 /nfs/dbraw/zinc/15/58/69/135155869.db2.gz RVDUOBQYFBGZBJ-UTLUCORTSA-N 1 3 212.362 2.443 20 0 BEADHO CCc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261529291 135156156 /nfs/dbraw/zinc/15/61/56/135156156.db2.gz AOBAGDSKDXVXSO-WDEREUQCSA-N 1 3 206.333 2.074 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCN1 ZINC000261529824 135156263 /nfs/dbraw/zinc/15/62/63/135156263.db2.gz BMAPOBYHKKYUOD-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCC1(C)C ZINC000261530602 135158459 /nfs/dbraw/zinc/15/84/59/135158459.db2.gz CUFCAXXKWVDTMV-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000261531310 135159758 /nfs/dbraw/zinc/15/97/58/135159758.db2.gz GBNNAFHQECLJLL-ATZCPNFKSA-N 1 3 224.373 2.451 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC1CCCC1 ZINC000261531587 135160951 /nfs/dbraw/zinc/16/09/51/135160951.db2.gz HEGSHJVHWVDGEM-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC1CCCC1 ZINC000261531587 135160953 /nfs/dbraw/zinc/16/09/53/135160953.db2.gz HEGSHJVHWVDGEM-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC1CCCC1 ZINC000261531590 135161190 /nfs/dbraw/zinc/16/11/90/135161190.db2.gz HEGSHJVHWVDGEM-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC1CCCC1 ZINC000261531590 135161192 /nfs/dbraw/zinc/16/11/92/135161192.db2.gz HEGSHJVHWVDGEM-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000261531841 135161867 /nfs/dbraw/zinc/16/18/67/135161867.db2.gz IALMBPNPHJGOON-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000261532863 135163370 /nfs/dbraw/zinc/16/33/70/135163370.db2.gz KLGWZNIDTULJDQ-SRVKXCTJSA-N 1 3 210.365 2.282 20 0 BEADHO C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2CCSC2)C1 ZINC000261532731 135163604 /nfs/dbraw/zinc/16/36/04/135163604.db2.gz DILAQRVEAXCFPM-MROQNXINSA-N 1 3 240.416 2.002 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000261534119 135165905 /nfs/dbraw/zinc/16/59/05/135165905.db2.gz NIVIQGCIOSYNSZ-RVMXOQNASA-N 1 3 242.432 2.378 20 0 BEADHO C[N@H+](C[C@H]1CCCNC1)[C@H]1CCC(C)(C)C1 ZINC000261534482 135166903 /nfs/dbraw/zinc/16/69/03/135166903.db2.gz RDPKKIHJHGFTRL-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCC(C)(C)C1 ZINC000261534482 135166904 /nfs/dbraw/zinc/16/69/04/135166904.db2.gz RDPKKIHJHGFTRL-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000261535655 135170255 /nfs/dbraw/zinc/17/02/55/135170255.db2.gz OXJXYFMMSDRMFP-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000261535653 135170470 /nfs/dbraw/zinc/17/04/70/135170470.db2.gz OXJXYFMMSDRMFP-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(OC)cc1 ZINC000261542176 135182767 /nfs/dbraw/zinc/18/27/67/135182767.db2.gz BXQPYVPLYMSERC-WDMOLILDSA-N 1 3 236.359 2.472 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCCNC1 ZINC000261548324 135187030 /nfs/dbraw/zinc/18/70/30/135187030.db2.gz NKKWLYVOQIBZHK-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCCNC1 ZINC000261548324 135187031 /nfs/dbraw/zinc/18/70/31/135187031.db2.gz NKKWLYVOQIBZHK-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000084217773 135193060 /nfs/dbraw/zinc/19/30/60/135193060.db2.gz DZMLAVGRKJTVIB-PWSUYJOCSA-N 1 3 224.373 2.008 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000084217774 135193320 /nfs/dbraw/zinc/19/33/20/135193320.db2.gz DZMLAVGRKJTVIB-CMPLNLGQSA-N 1 3 224.373 2.008 20 0 BEADHO C[C@@H]1[C@@H]([NH3+])CCN1c1ccnc2ccccc21 ZINC000261556770 135197181 /nfs/dbraw/zinc/19/71/81/135197181.db2.gz RAJLZYZSAUFQMG-PWSUYJOCSA-N 1 3 227.311 2.161 20 0 BEADHO CCSCCN(CC)[C@H]1CCC[NH2+]CC1 ZINC000261557241 135197936 /nfs/dbraw/zinc/19/79/36/135197936.db2.gz XCLUCAZTNNVEEI-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000261560187 135201040 /nfs/dbraw/zinc/20/10/40/135201040.db2.gz UJEIPOZHPSIFEM-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1nc(C)c(CN[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000261562666 135204003 /nfs/dbraw/zinc/20/40/03/135204003.db2.gz BMIOJCCBDGOZQC-QWRGUYRKSA-N 1 3 239.388 2.119 20 0 BEADHO Cc1nc(C)c(CN[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000261562660 135204247 /nfs/dbraw/zinc/20/42/47/135204247.db2.gz BMIOJCCBDGOZQC-GHMZBOCLSA-N 1 3 239.388 2.119 20 0 BEADHO Cc1ccc(F)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564734 135206657 /nfs/dbraw/zinc/20/66/57/135206657.db2.gz HLFFRXGXANSTNY-CQDKDKBSSA-N 1 3 248.345 2.303 20 0 BEADHO Cc1ccccc1C[C@H](C)NCC(C)(C)[NH3+] ZINC000261567034 135209610 /nfs/dbraw/zinc/20/96/10/135209610.db2.gz DVGGBLZYXULRHG-LBPRGKRZSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccc(F)cc1 ZINC000261572840 135214948 /nfs/dbraw/zinc/21/49/48/135214948.db2.gz IJKRPGZGKQCBNE-MXWKQRLJSA-N 1 3 224.323 2.082 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)NCC(C)(C)[NH3+] ZINC000261579153 135219605 /nfs/dbraw/zinc/21/96/05/135219605.db2.gz MCDNTNHKMYHUBB-SNVBAGLBSA-N 1 3 224.323 2.084 20 0 BEADHO CCC1(CC)C[N@H+](CC(C)(C)N)CCS1 ZINC000261580196 135220997 /nfs/dbraw/zinc/22/09/97/135220997.db2.gz MTXUPJBHEQRLJN-UHFFFAOYSA-N 1 3 230.421 2.331 20 0 BEADHO CCC1(CC)C[N@@H+](CC(C)(C)N)CCS1 ZINC000261580196 135220998 /nfs/dbraw/zinc/22/09/98/135220998.db2.gz MTXUPJBHEQRLJN-UHFFFAOYSA-N 1 3 230.421 2.331 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261583456 135223948 /nfs/dbraw/zinc/22/39/48/135223948.db2.gz RUAYTSLCBHWOSE-GJZGRUSLSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261583457 135224146 /nfs/dbraw/zinc/22/41/46/135224146.db2.gz RUAYTSLCBHWOSE-HUUCEWRRSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261585619 135226850 /nfs/dbraw/zinc/22/68/50/135226850.db2.gz TYCRLJLTKXELAM-GDBMZVCRSA-N 1 3 244.382 2.345 20 0 BEADHO COC[C@@]1(CNC2CCCCCC2)CCC[NH2+]1 ZINC000261548258 135241756 /nfs/dbraw/zinc/24/17/56/135241756.db2.gz JFVPAMGDMYVLJA-AWEZNQCLSA-N 1 3 240.391 2.067 20 0 BEADHO C(C1CC1)[N@H+](C[C@@H]1CCCNC1)C1CCC1 ZINC000261790078 135253562 /nfs/dbraw/zinc/25/35/62/135253562.db2.gz GBYGOTALQXPDSS-CYBMUJFWSA-N 1 3 222.376 2.251 20 0 BEADHO C(C1CC1)[N@@H+](C[C@@H]1CCCNC1)C1CCC1 ZINC000261790078 135253564 /nfs/dbraw/zinc/25/35/64/135253564.db2.gz GBYGOTALQXPDSS-CYBMUJFWSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261948518 135265186 /nfs/dbraw/zinc/26/51/86/135265186.db2.gz NNXTWXZFEUVSCU-YPMHNXCESA-N 1 3 222.376 2.106 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@@H](C)[C@@H]([NH3+])C2)C1 ZINC000261961715 135267339 /nfs/dbraw/zinc/26/73/39/135267339.db2.gz HJGBMLNDKDXVHO-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC(C)(C)C1 ZINC000261985113 135269727 /nfs/dbraw/zinc/26/97/27/135269727.db2.gz RVGZBQXHIWFXSL-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC(C)(C)C1 ZINC000261985113 135269728 /nfs/dbraw/zinc/26/97/28/135269728.db2.gz RVGZBQXHIWFXSL-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CC1 ZINC000262002034 135271048 /nfs/dbraw/zinc/27/10/48/135271048.db2.gz PXVLFXJALXIERM-RRFJBIMHSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@@]1(CN(CC2CC2)C2CCC2)CC[NH2+]C1 ZINC000262064459 135276524 /nfs/dbraw/zinc/27/65/24/135276524.db2.gz RLCBZPNZLHLUKP-CQSZACIVSA-N 1 3 222.376 2.251 20 0 BEADHO CC(C)(C)CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334357192 135372363 /nfs/dbraw/zinc/37/23/63/135372363.db2.gz PKVGWNDIYMADCN-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ncsc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216801 135467346 /nfs/dbraw/zinc/46/73/46/135467346.db2.gz NTNYQFDCGIOWMU-GHMZBOCLSA-N 1 3 239.388 2.059 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCCN[C@H]2C)cc1 ZINC000335359273 136075309 /nfs/dbraw/zinc/07/53/09/136075309.db2.gz XBJXOTQPNIIXQC-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000388106832 397871761 /nfs/dbraw/zinc/87/17/61/397871761.db2.gz XVXHKKGSJKJTOS-RQJABVFESA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000388106832 397871765 /nfs/dbraw/zinc/87/17/65/397871765.db2.gz XVXHKKGSJKJTOS-RQJABVFESA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000388106832 397871766 /nfs/dbraw/zinc/87/17/66/397871766.db2.gz XVXHKKGSJKJTOS-RQJABVFESA-N 1 3 222.376 2.249 20 0 BEADHO Cc1c[nH+]ccc1NCCN1CCCC(C)(C)C1 ZINC000358915564 397943088 /nfs/dbraw/zinc/94/30/88/397943088.db2.gz ORVWZODECCHYQQ-UHFFFAOYSA-N 1 3 247.386 2.346 20 0 BEADHO Cc1c[nH+]ccc1NC[C@@H]1CCCCN1C1CC1 ZINC000358916103 397943318 /nfs/dbraw/zinc/94/33/18/397943318.db2.gz RBQKJCGCOVEYDS-AWEZNQCLSA-N 1 3 245.370 2.241 20 0 BEADHO CCc1cc(NCCN2CC=C(C)CC2)cc[nH+]1 ZINC000450442421 397963795 /nfs/dbraw/zinc/96/37/95/397963795.db2.gz WYBGZNRQRGFQOT-UHFFFAOYSA-N 1 3 245.370 2.130 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCCO1 ZINC000383087824 397998682 /nfs/dbraw/zinc/99/86/82/397998682.db2.gz KPPLKLDYCSGGMG-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000383087824 397998683 /nfs/dbraw/zinc/99/86/83/397998683.db2.gz KPPLKLDYCSGGMG-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000383673518 398034874 /nfs/dbraw/zinc/03/48/74/398034874.db2.gz AABBQKYUVTZBIO-SNPRPXQTSA-N 1 3 236.403 2.354 20 0 BEADHO CN(CCCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000382761521 397972297 /nfs/dbraw/zinc/97/22/97/397972297.db2.gz YZLIJIJRQVRIQO-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCC2)C[C@@H]1CN ZINC000397321480 397976643 /nfs/dbraw/zinc/97/66/43/397976643.db2.gz SXUIMHBGRVDDCH-WZRBSPASSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCC2)C[C@@H]1CN ZINC000397321480 397976645 /nfs/dbraw/zinc/97/66/45/397976645.db2.gz SXUIMHBGRVDDCH-WZRBSPASSA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000414858849 398066041 /nfs/dbraw/zinc/06/60/41/398066041.db2.gz SPZPIOXXLOHYNH-RDBSUJKOSA-N 1 3 224.392 2.400 20 0 BEADHO CCN(CC)CCC[N@H+](CC)[C@H]1CCCOC1 ZINC000649755394 398086693 /nfs/dbraw/zinc/08/66/93/398086693.db2.gz MVAKSJBRKKCUFD-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)[C@H]1CCCOC1 ZINC000649755394 398086695 /nfs/dbraw/zinc/08/66/95/398086695.db2.gz MVAKSJBRKKCUFD-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000372992405 171281262 /nfs/dbraw/zinc/28/12/62/171281262.db2.gz WYOSFVZSHGKXMG-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000372992405 171281263 /nfs/dbraw/zinc/28/12/63/171281263.db2.gz WYOSFVZSHGKXMG-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H]1C[N@H+](CC2(C)CCC2)CC[C@H]1N ZINC000389693478 398125223 /nfs/dbraw/zinc/12/52/23/398125223.db2.gz IFOAPNIPAXYCBQ-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1N ZINC000389693478 398125225 /nfs/dbraw/zinc/12/52/25/398125225.db2.gz IFOAPNIPAXYCBQ-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1CN(CC2(C)CCC2)CC[C@H]1[NH3+] ZINC000389693478 398125226 /nfs/dbraw/zinc/12/52/26/398125226.db2.gz IFOAPNIPAXYCBQ-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO CNCCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000336709862 173346983 /nfs/dbraw/zinc/34/69/83/173346983.db2.gz RJCYTJNUVDBYIC-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000336709862 173346985 /nfs/dbraw/zinc/34/69/85/173346985.db2.gz RJCYTJNUVDBYIC-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662275968 487529107 /nfs/dbraw/zinc/52/91/07/487529107.db2.gz GGDDWJIBHALNNH-XGUBFFRZSA-N 1 3 234.387 2.108 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662275966 487529415 /nfs/dbraw/zinc/52/94/15/487529415.db2.gz GGDDWJIBHALNNH-LXTVHRRPSA-N 1 3 234.387 2.108 20 0 BEADHO CCc1ccc(C[NH2+]C[C@@H](N)C(C)C)s1 ZINC000225369030 487562395 /nfs/dbraw/zinc/56/23/95/487562395.db2.gz VSPIXIWULKGQRL-GFCCVEGCSA-N 1 3 226.389 2.383 20 0 BEADHO Cc1cc(F)ccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000334843087 487569918 /nfs/dbraw/zinc/56/99/18/487569918.db2.gz BGMFTFAXTLQPJN-KGLIPLIRSA-N 1 3 236.334 2.494 20 0 BEADHO Cc1cc(F)ccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000334843086 487570318 /nfs/dbraw/zinc/57/03/18/487570318.db2.gz BGMFTFAXTLQPJN-KBPBESRZSA-N 1 3 236.334 2.494 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CS[C@@H](C)C1)CN1CCCC1 ZINC000086935925 487587179 /nfs/dbraw/zinc/58/71/79/487587179.db2.gz QNCZCNDCSNBKMN-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H](CN[C@@H]1CS[C@@H](C)C1)C[NH+]1CCCC1 ZINC000086935925 487587186 /nfs/dbraw/zinc/58/71/86/487587186.db2.gz QNCZCNDCSNBKMN-AGIUHOORSA-N 1 3 242.432 2.202 20 0 BEADHO CC(C)SCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336667912 167320392 /nfs/dbraw/zinc/32/03/92/167320392.db2.gz PRHKWWLWECCHJF-CYBMUJFWSA-N 1 3 244.448 2.402 20 0 BEADHO CC(C)SCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336667912 167320394 /nfs/dbraw/zinc/32/03/94/167320394.db2.gz PRHKWWLWECCHJF-CYBMUJFWSA-N 1 3 244.448 2.402 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1CCN ZINC000662285839 409618952 /nfs/dbraw/zinc/61/89/52/409618952.db2.gz NPKQNJLDNOPVGV-QMIVOQANSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1CCN ZINC000662285839 409618954 /nfs/dbraw/zinc/61/89/54/409618954.db2.gz NPKQNJLDNOPVGV-QMIVOQANSA-N 1 3 236.403 2.482 20 0 BEADHO C1=CCC(CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662277647 409593851 /nfs/dbraw/zinc/59/38/51/409593851.db2.gz RGKZAFRQGYXUSH-CQSZACIVSA-N 1 3 220.360 2.028 20 0 BEADHO [NH3+]CCCN1CCC[C@H](c2ccccc2)C1 ZINC000662285106 409614315 /nfs/dbraw/zinc/61/43/15/409614315.db2.gz WQVYCUYMPLETEB-AWEZNQCLSA-N 1 3 218.344 2.215 20 0 BEADHO NCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662285106 409614319 /nfs/dbraw/zinc/61/43/19/409614319.db2.gz WQVYCUYMPLETEB-AWEZNQCLSA-N 1 3 218.344 2.215 20 0 BEADHO NCCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000662285106 409614324 /nfs/dbraw/zinc/61/43/24/409614324.db2.gz WQVYCUYMPLETEB-AWEZNQCLSA-N 1 3 218.344 2.215 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCC1CCC1 ZINC000662284750 409615299 /nfs/dbraw/zinc/61/52/99/409615299.db2.gz PGFADEHBDLHCQR-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[N@H+](CC1CCCC1)[C@@H]1CCCNCC1 ZINC000082666922 409848469 /nfs/dbraw/zinc/84/84/69/409848469.db2.gz VOOIBAXPYDGMOR-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](CC1CCCC1)[C@@H]1CCCNCC1 ZINC000082666922 409848479 /nfs/dbraw/zinc/84/84/79/409848479.db2.gz VOOIBAXPYDGMOR-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H]1CN(CCCCCF)CC[C@H]1[NH3+] ZINC000308916725 409936328 /nfs/dbraw/zinc/93/63/28/409936328.db2.gz INEBBGKPIJBPOK-VXGBXAGGSA-N 1 3 216.344 2.185 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000663498379 410275455 /nfs/dbraw/zinc/27/54/55/410275455.db2.gz BJLOIJJDMLCQQE-BFHYXJOUSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000663498379 410275461 /nfs/dbraw/zinc/27/54/61/410275461.db2.gz BJLOIJJDMLCQQE-BFHYXJOUSA-N 1 3 242.407 2.153 20 0 BEADHO CC1([NH3+])CCN(Cc2cccc3c2CCC3)CC1 ZINC000650703093 410332253 /nfs/dbraw/zinc/33/22/53/410332253.db2.gz KLKIMSZKCSSTRV-UHFFFAOYSA-N 1 3 244.382 2.489 20 0 BEADHO C[N@H+](Cc1cccc2c1CCC2)C1CCNCC1 ZINC000650702810 410332316 /nfs/dbraw/zinc/33/23/16/410332316.db2.gz WGKGKDZBCIDZCS-UHFFFAOYSA-N 1 3 244.382 2.359 20 0 BEADHO C[N@@H+](Cc1cccc2c1CCC2)C1CCNCC1 ZINC000650702810 410332322 /nfs/dbraw/zinc/33/23/22/410332322.db2.gz WGKGKDZBCIDZCS-UHFFFAOYSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cccc2c1CCC2 ZINC000650703614 410332709 /nfs/dbraw/zinc/33/27/09/410332709.db2.gz IUHMLGGJWTVVDD-NSHDSACASA-N 1 3 218.344 2.002 20 0 BEADHO C[C@H](CC[NH3+])NCc1cccc2c1CCC2 ZINC000650703613 410333649 /nfs/dbraw/zinc/33/36/49/410333649.db2.gz IUHMLGGJWTVVDD-LLVKDONJSA-N 1 3 218.344 2.002 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCC3)CCN1 ZINC000650703500 410333694 /nfs/dbraw/zinc/33/36/94/410333694.db2.gz CEIRMDPHZPCIQL-IUODEOHRSA-N 1 3 244.382 2.405 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703187 410334666 /nfs/dbraw/zinc/33/46/66/410334666.db2.gz ORTMJTLUAYOFAR-STQMWFEESA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703187 410334672 /nfs/dbraw/zinc/33/46/72/410334672.db2.gz ORTMJTLUAYOFAR-STQMWFEESA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c1CCC2 ZINC000650703187 410334675 /nfs/dbraw/zinc/33/46/75/410334675.db2.gz ORTMJTLUAYOFAR-STQMWFEESA-N 1 3 244.382 2.344 20 0 BEADHO [NH3+]CC1(CCNCc2ccccc2F)CC1 ZINC000650712101 410342945 /nfs/dbraw/zinc/34/29/45/410342945.db2.gz QPAJGFLYVCKTED-UHFFFAOYSA-N 1 3 222.307 2.044 20 0 BEADHO C[C@H]1CN(CCC[NH3+])CCc2ccc(F)cc21 ZINC000650725136 410360845 /nfs/dbraw/zinc/36/08/45/410360845.db2.gz UFJVQLMOOKFDRX-NSHDSACASA-N 1 3 236.334 2.136 20 0 BEADHO Cc1nc([C@@H](C)NCCC2(C[NH3+])CC2)cs1 ZINC000650748119 410388250 /nfs/dbraw/zinc/38/82/50/410388250.db2.gz NJFLWEQPWZUULW-SECBINFHSA-N 1 3 239.388 2.231 20 0 BEADHO C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)[C@H]1C ZINC000650755591 410403191 /nfs/dbraw/zinc/40/31/91/410403191.db2.gz IJUDNPHNKKEECP-ISTVAULSSA-N 1 3 236.334 2.419 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC000665266705 410738952 /nfs/dbraw/zinc/73/89/52/410738952.db2.gz HYZIAWDGAPAJDF-OLZOCXBDSA-N 1 3 210.365 2.426 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000665283613 410765103 /nfs/dbraw/zinc/76/51/03/410765103.db2.gz QTASPWLDAXWSLE-RYUDHWBXSA-N 1 3 222.332 2.072 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCCc2ccco2)C1 ZINC000665283613 410765111 /nfs/dbraw/zinc/76/51/11/410765111.db2.gz QTASPWLDAXWSLE-RYUDHWBXSA-N 1 3 222.332 2.072 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000337348554 167258129 /nfs/dbraw/zinc/25/81/29/167258129.db2.gz ZBPDHKAFFLOSDY-HZSPNIEDSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC[C@@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000337348554 167258130 /nfs/dbraw/zinc/25/81/30/167258130.db2.gz ZBPDHKAFFLOSDY-HZSPNIEDSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000337337566 167266107 /nfs/dbraw/zinc/26/61/07/167266107.db2.gz MZNRRAAMIQVYAV-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000337337566 167266111 /nfs/dbraw/zinc/26/61/11/167266111.db2.gz MZNRRAAMIQVYAV-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H]1CC1(C)C ZINC000397837527 410937121 /nfs/dbraw/zinc/93/71/21/410937121.db2.gz SZYOVEOKBZXBAW-QCNOEVLYSA-N 1 3 210.365 2.281 20 0 BEADHO CCOC1CC(NCCC[N@H+](C)CC(C)C)C1 ZINC000651865902 411147862 /nfs/dbraw/zinc/14/78/62/411147862.db2.gz MEOKLYUTSVLFNM-UHFFFAOYSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC1CC(NCCC[N@@H+](C)CC(C)C)C1 ZINC000651865902 411147863 /nfs/dbraw/zinc/14/78/63/411147863.db2.gz MEOKLYUTSVLFNM-UHFFFAOYSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC1CC([NH2+]CCCN(C)CC(C)C)C1 ZINC000651865902 411147864 /nfs/dbraw/zinc/14/78/64/411147864.db2.gz MEOKLYUTSVLFNM-UHFFFAOYSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CCCOCC1 ZINC000651865661 411148051 /nfs/dbraw/zinc/14/80/51/411148051.db2.gz CPJMPUGYXHSJBW-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]1CCCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000652193086 411168811 /nfs/dbraw/zinc/16/88/11/411168811.db2.gz VLYIQPVSULRGMD-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)CN(C)C ZINC000652201031 411170657 /nfs/dbraw/zinc/17/06/57/411170657.db2.gz RFWRLBNXXAWREZ-QWHCGFSZSA-N 1 3 244.423 2.225 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)c1ccncc1 ZINC000656197194 411202038 /nfs/dbraw/zinc/20/20/38/411202038.db2.gz MSSTVDNJGTXELP-KWCYVHTRSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000656197194 411202040 /nfs/dbraw/zinc/20/20/40/411202040.db2.gz MSSTVDNJGTXELP-KWCYVHTRSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)c1ccncc1 ZINC000656197193 411202133 /nfs/dbraw/zinc/20/21/33/411202133.db2.gz MSSTVDNJGTXELP-BNOWGMLFSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000656197193 411202136 /nfs/dbraw/zinc/20/21/36/411202136.db2.gz MSSTVDNJGTXELP-BNOWGMLFSA-N 1 3 233.359 2.045 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000656200935 411206439 /nfs/dbraw/zinc/20/64/39/411206439.db2.gz GKAGVWFMSIVVSP-UTUOFQBUSA-N 1 3 230.396 2.153 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000656200937 411206694 /nfs/dbraw/zinc/20/66/94/411206694.db2.gz GKAGVWFMSIVVSP-WOPDTQHZSA-N 1 3 230.396 2.153 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000652343453 411208131 /nfs/dbraw/zinc/20/81/31/411208131.db2.gz CAILQHPOIBSEGB-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000652343453 411208133 /nfs/dbraw/zinc/20/81/33/411208133.db2.gz CAILQHPOIBSEGB-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1noc(C)c1[C@H](C)N[C@H](C)CCCC[NH3+] ZINC000310262097 411231691 /nfs/dbraw/zinc/23/16/91/411231691.db2.gz MBBFHFCYCIFFBL-ZJUUUORDSA-N 1 3 239.363 2.460 20 0 BEADHO Cc1nc([C@H](C)N[C@@H](C)CCC[NH3+])cs1 ZINC000422883430 411233846 /nfs/dbraw/zinc/23/38/46/411233846.db2.gz BZNHQZSFVBYZER-IUCAKERBSA-N 1 3 227.377 2.230 20 0 BEADHO CC1(C)[C@H](NCC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423306713 411238242 /nfs/dbraw/zinc/23/82/42/411238242.db2.gz UGPXSHLPFQSSGY-LSDHHAIUSA-N 1 3 244.382 2.378 20 0 BEADHO CC1(C)[C@H]([NH2+]CC2CNC2)C[C@H]1c1ccccc1 ZINC000423306713 411238244 /nfs/dbraw/zinc/23/82/44/411238244.db2.gz UGPXSHLPFQSSGY-LSDHHAIUSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423307132 411238676 /nfs/dbraw/zinc/23/86/76/411238676.db2.gz MMZLZRVGLLBHLI-VNHYZAJKSA-N 1 3 247.386 2.292 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H]2CC[C@H](C)SC2)C1 ZINC000655693955 411240031 /nfs/dbraw/zinc/24/00/31/411240031.db2.gz BIQKVFOAOLXVQU-XQQFMLRXSA-N 1 3 242.432 2.202 20 0 BEADHO c1ccc([C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000051890178 411284486 /nfs/dbraw/zinc/28/44/86/411284486.db2.gz GVPORTGQBXZZQJ-UKRRQHHQSA-N 1 3 230.355 2.085 20 0 BEADHO CCC1CCC(N(C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889681 411284769 /nfs/dbraw/zinc/28/47/69/411284769.db2.gz OKSCAFOTVJMFSJ-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCc2ccoc2)[C@@H](C)C1 ZINC000658202193 411290840 /nfs/dbraw/zinc/29/08/40/411290840.db2.gz VGODWZBLQMKEJB-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCc2ccoc2)[C@@H](C)C1 ZINC000658202193 411290844 /nfs/dbraw/zinc/29/08/44/411290844.db2.gz VGODWZBLQMKEJB-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@H](N)[C@@H](CC)C1 ZINC000122325785 411311800 /nfs/dbraw/zinc/31/18/00/411311800.db2.gz FJKAHHHSIBICOW-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@H](N)[C@@H](CC)C1 ZINC000122325785 411311803 /nfs/dbraw/zinc/31/18/03/411311803.db2.gz FJKAHHHSIBICOW-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC1(C)CC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000128571510 167930375 /nfs/dbraw/zinc/93/03/75/167930375.db2.gz HZQXYCXIUNJGBC-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)(N)C[NH+]1CCC(C2CCC2)CC1 ZINC000656786868 411365508 /nfs/dbraw/zinc/36/55/08/411365508.db2.gz CIPVZPCADOEBQJ-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cccc(C[NH2+]CC2(N)CCCC2)c1 ZINC000656788768 411369585 /nfs/dbraw/zinc/36/95/85/411369585.db2.gz YTQWOKIKLLHVSE-UHFFFAOYSA-N 1 3 218.344 2.356 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCC(C)CC1 ZINC000228067503 168153130 /nfs/dbraw/zinc/15/31/30/168153130.db2.gz UGWOEEBBRLWTCZ-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCC(C)CC1 ZINC000228067503 168153132 /nfs/dbraw/zinc/15/31/32/168153132.db2.gz UGWOEEBBRLWTCZ-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)CC1 ZINC000221097714 168153886 /nfs/dbraw/zinc/15/38/86/168153886.db2.gz MKTSOJLVKAKZHW-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(C[N@H+]2CC[C@@H](N)[C@@H](C)C2)CC1 ZINC000221097714 168153889 /nfs/dbraw/zinc/15/38/89/168153889.db2.gz MKTSOJLVKAKZHW-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(CN2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000221097714 168153890 /nfs/dbraw/zinc/15/38/90/168153890.db2.gz MKTSOJLVKAKZHW-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC([N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000042488230 168159985 /nfs/dbraw/zinc/15/99/85/168159985.db2.gz ZWLVDNURTGPVTO-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO CC1CCC([N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000042488230 168159987 /nfs/dbraw/zinc/15/99/87/168159987.db2.gz ZWLVDNURTGPVTO-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]CCCN1CCC(C)CC1 ZINC000336777964 168178738 /nfs/dbraw/zinc/17/87/38/168178738.db2.gz JZVDVVXEVOOXNL-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CC1CCN(CCC[NH2+]Cc2ccn(C)c2)CC1 ZINC000091007313 168178930 /nfs/dbraw/zinc/17/89/30/168178930.db2.gz UHOICEUSYBYKFG-UHFFFAOYSA-N 1 3 249.402 2.237 20 0 BEADHO CC1CCN(CCC[NH2+]CC2CC2)CC1 ZINC000036882469 168179091 /nfs/dbraw/zinc/17/90/91/168179091.db2.gz NOKLHXVKTLDXKQ-UHFFFAOYSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404321813 411391067 /nfs/dbraw/zinc/39/10/67/411391067.db2.gz RFYCWGKIGNNWMX-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404321813 411391069 /nfs/dbraw/zinc/39/10/69/411391069.db2.gz RFYCWGKIGNNWMX-STQMWFEESA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404324969 411391078 /nfs/dbraw/zinc/39/10/78/411391078.db2.gz UFVNWHBLXICAMD-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404324969 411391079 /nfs/dbraw/zinc/39/10/79/411391079.db2.gz UFVNWHBLXICAMD-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1C[C@@H]([NH2+]CCCN(CC)CC)CCO1 ZINC000070344708 411391818 /nfs/dbraw/zinc/39/18/18/411391818.db2.gz DJJDPTRXGMARQR-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCc1cc(OC)ccc1C[NH2+]C[C@@H](N)C1CC1 ZINC000414887847 411459644 /nfs/dbraw/zinc/45/96/44/411459644.db2.gz JCYFQXJCJKQBPV-OAHLLOKOSA-N 1 3 248.370 2.085 20 0 BEADHO C[NH2+]CCCN1CCc2ccccc2[C@@H](C)C1 ZINC000405004784 411413638 /nfs/dbraw/zinc/41/36/38/411413638.db2.gz JADAFVCSOCOAHA-ZDUSSCGKSA-N 1 3 232.371 2.258 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000122325575 411426809 /nfs/dbraw/zinc/42/68/09/411426809.db2.gz FJKAHHHSIBICOW-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000122325575 411426811 /nfs/dbraw/zinc/42/68/11/411426811.db2.gz FJKAHHHSIBICOW-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000655738196 411444502 /nfs/dbraw/zinc/44/45/02/411444502.db2.gz JJDJDSLKKHHUNQ-WCQYABFASA-N 1 3 240.416 2.122 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000655738197 411445013 /nfs/dbraw/zinc/44/50/13/411445013.db2.gz JJDJDSLKKHHUNQ-YPMHNXCESA-N 1 3 240.416 2.122 20 0 BEADHO CC[C@H]1C[C@@H](NCCC[NH+]2CCCCC2)CO1 ZINC000657296466 411454772 /nfs/dbraw/zinc/45/47/72/411454772.db2.gz VCQAYWBDWOLURM-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[NH+](C)C1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659837615 411471355 /nfs/dbraw/zinc/47/13/55/411471355.db2.gz GSEMOPGKDUVUIM-CLLJXQQHSA-N 1 3 222.376 2.059 20 0 BEADHO Cc1ccc(CN[C@H](C)C2CC[NH+](C)CC2)o1 ZINC000053036258 411475393 /nfs/dbraw/zinc/47/53/93/411475393.db2.gz CDYWPRCXZSWZLK-GFCCVEGCSA-N 1 3 236.359 2.408 20 0 BEADHO CC[C@@H]1OCC[C@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000657369580 411483642 /nfs/dbraw/zinc/48/36/42/411483642.db2.gz FASFIZPQJIBVCX-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H]1OCC[C@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000657369580 411483643 /nfs/dbraw/zinc/48/36/43/411483643.db2.gz FASFIZPQJIBVCX-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CC2CC=CC2)CC1 ZINC000660415811 411488906 /nfs/dbraw/zinc/48/89/06/411488906.db2.gz JAJZPIPNMCZNNW-CQSZACIVSA-N 1 3 222.376 2.369 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000660415811 411488908 /nfs/dbraw/zinc/48/89/08/411488908.db2.gz JAJZPIPNMCZNNW-CQSZACIVSA-N 1 3 222.376 2.369 20 0 BEADHO C1=CCC(C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000659949049 411508334 /nfs/dbraw/zinc/50/83/34/411508334.db2.gz UGAOXFNKWQNQFY-OAHLLOKOSA-N 1 3 234.387 2.370 20 0 BEADHO C1=CCC(C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000659949049 411508337 /nfs/dbraw/zinc/50/83/37/411508337.db2.gz UGAOXFNKWQNQFY-OAHLLOKOSA-N 1 3 234.387 2.370 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cnccc2C)C1 ZINC000271373839 170007409 /nfs/dbraw/zinc/00/74/09/170007409.db2.gz HKLJGFMTGFBFFR-KBPBESRZSA-N 1 3 247.386 2.382 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000037643740 170007481 /nfs/dbraw/zinc/00/74/81/170007481.db2.gz UTQAFDPODBZMTB-ZDUSSCGKSA-N 1 3 236.334 2.257 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484275 170007541 /nfs/dbraw/zinc/00/75/41/170007541.db2.gz MHZUPRZVHCWLDL-KBPBESRZSA-N 1 3 222.376 2.274 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037644340 170007981 /nfs/dbraw/zinc/00/79/81/170007981.db2.gz GEFJXUDRFAQSQY-ZDUSSCGKSA-N 1 3 244.382 2.085 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037644019 170017378 /nfs/dbraw/zinc/01/73/78/170017378.db2.gz OJIFYRBJJVRVRB-QWHCGFSZSA-N 1 3 233.359 2.074 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cnccc2C)C1 ZINC000271375136 170017472 /nfs/dbraw/zinc/01/74/72/170017472.db2.gz HKLJGFMTGFBFFR-ZIAGYGMSSA-N 1 3 247.386 2.382 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCCF)C[C@@H]1C ZINC000361531317 170018012 /nfs/dbraw/zinc/01/80/12/170018012.db2.gz QMBOCIBSSPMMAH-RYUDHWBXSA-N 1 3 216.344 2.151 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCCF)C[C@@H]1C ZINC000361531317 170018013 /nfs/dbraw/zinc/01/80/13/170018013.db2.gz QMBOCIBSSPMMAH-RYUDHWBXSA-N 1 3 216.344 2.151 20 0 BEADHO CCN1CC[C@H]([NH2+]Cc2cccc(O)c2)[C@H](C)C1 ZINC000173363003 170021090 /nfs/dbraw/zinc/02/10/90/170021090.db2.gz ZRMUKUDKAOYBNI-DOMZBBRYSA-N 1 3 248.370 2.212 20 0 BEADHO CCOCC(C)(C)NCCC[NH+]1CCCCC1 ZINC000339378663 170354120 /nfs/dbraw/zinc/35/41/20/170354120.db2.gz OJYKKRCMXNIQHG-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657663461 411576373 /nfs/dbraw/zinc/57/63/73/411576373.db2.gz BOOHCBWMERGZBC-SDDRHHMPSA-N 1 3 244.329 2.248 20 0 BEADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657663461 411576374 /nfs/dbraw/zinc/57/63/74/411576374.db2.gz BOOHCBWMERGZBC-SDDRHHMPSA-N 1 3 244.329 2.248 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657831379 411609165 /nfs/dbraw/zinc/60/91/65/411609165.db2.gz WTCVWWPNJGJVTI-ZDUSSCGKSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](c1ccccc1)N(C)CCC[NH3+] ZINC000133205711 411655436 /nfs/dbraw/zinc/65/54/36/411655436.db2.gz YMVPUMNMZBQZQB-CYBMUJFWSA-N 1 3 206.333 2.418 20 0 BEADHO C([NH2+][C@@H]1CCCC[C@H]1C1CC1)C12CC(C1)CN2 ZINC000663497285 411679271 /nfs/dbraw/zinc/67/92/71/411679271.db2.gz CSWLDTULWRSCTL-PIBLMLOJSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@@H]1CCCC[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000663497285 411679274 /nfs/dbraw/zinc/67/92/74/411679274.db2.gz CSWLDTULWRSCTL-PIBLMLOJSA-N 1 3 234.387 2.297 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663497548 411679889 /nfs/dbraw/zinc/67/98/89/411679889.db2.gz HEEWQDWVWCUBEM-NUYPLMSZSA-N 1 3 248.345 2.098 20 0 BEADHO C[C@]1(CN2CCC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499122 411682214 /nfs/dbraw/zinc/68/22/14/411682214.db2.gz ATONQDZBJMPTJG-CABCVRRESA-N 1 3 236.403 2.498 20 0 BEADHO CN(CC[N@H+](C)C1CC1)c1nccc2[nH]ccc21 ZINC000663811020 411751929 /nfs/dbraw/zinc/75/19/29/411751929.db2.gz SAXTUHJEZDBMSD-UHFFFAOYSA-N 1 3 244.342 2.093 20 0 BEADHO CN(CC[N@@H+](C)C1CC1)c1nccc2[nH]ccc21 ZINC000663811020 411751930 /nfs/dbraw/zinc/75/19/30/411751930.db2.gz SAXTUHJEZDBMSD-UHFFFAOYSA-N 1 3 244.342 2.093 20 0 BEADHO Cc1cc(N[C@@H](C)C[NH+]2CCC(C)CC2)ccn1 ZINC000664454241 411961478 /nfs/dbraw/zinc/96/14/78/411961478.db2.gz FCLSFCKVUTYKCM-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1cnccc1N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000664455284 411963280 /nfs/dbraw/zinc/96/32/80/411963280.db2.gz WXKIRILFASHUQQ-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1c[nH+]ccc1N[C@H](C)CN1CCC(C)CC1 ZINC000664455284 411963283 /nfs/dbraw/zinc/96/32/83/411963283.db2.gz WXKIRILFASHUQQ-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCCNCC1 ZINC000662240792 412037205 /nfs/dbraw/zinc/03/72/05/412037205.db2.gz MSAGLSJTQKATJY-OAHLLOKOSA-N 1 3 244.382 2.402 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCCNCC1 ZINC000662240792 412037206 /nfs/dbraw/zinc/03/72/06/412037206.db2.gz MSAGLSJTQKATJY-OAHLLOKOSA-N 1 3 244.382 2.402 20 0 BEADHO CO[C@H](CN(C)CC[C@@H]([NH3+])C(C)C)C1CCC1 ZINC000662248035 412046513 /nfs/dbraw/zinc/04/65/13/412046513.db2.gz RFBVAEXMZFUHHX-ZIAGYGMSSA-N 1 3 242.407 2.107 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCC1CCC1 ZINC000662265503 412055900 /nfs/dbraw/zinc/05/59/00/412055900.db2.gz PRZLWABROQEWKW-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCC1CCC1 ZINC000662265503 412055903 /nfs/dbraw/zinc/05/59/03/412055903.db2.gz PRZLWABROQEWKW-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000309448325 171043534 /nfs/dbraw/zinc/04/35/34/171043534.db2.gz KLIBXGDXHUCYLI-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336748834 171058059 /nfs/dbraw/zinc/05/80/59/171058059.db2.gz CZUGPKNMFGWKBC-CHWSQXEVSA-N 1 3 208.349 2.027 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000309448319 171059151 /nfs/dbraw/zinc/05/91/51/171059151.db2.gz KLIBXGDXHUCYLI-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H](CC(F)F)CN(C)CCC[NH2+]C ZINC000662282453 412073176 /nfs/dbraw/zinc/07/31/76/412073176.db2.gz VHVQEGGIQIAKLC-SNVBAGLBSA-N 1 3 222.323 2.209 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+](C)CCCNC ZINC000662282453 412073177 /nfs/dbraw/zinc/07/31/77/412073177.db2.gz VHVQEGGIQIAKLC-SNVBAGLBSA-N 1 3 222.323 2.209 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+](C)CCCNC ZINC000662282453 412073180 /nfs/dbraw/zinc/07/31/80/412073180.db2.gz VHVQEGGIQIAKLC-SNVBAGLBSA-N 1 3 222.323 2.209 20 0 BEADHO C(CN1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000662283380 412074360 /nfs/dbraw/zinc/07/43/60/412074360.db2.gz NCRZDXMDNXOVRP-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO C[N@H+](CCCc1ccsc1)CC(C)(C)N ZINC000662293714 412082780 /nfs/dbraw/zinc/08/27/80/412082780.db2.gz IGTPUJPFVCTGMK-UHFFFAOYSA-N 1 3 226.389 2.350 20 0 BEADHO C[N@@H+](CCCc1ccsc1)CC(C)(C)N ZINC000662293714 412082783 /nfs/dbraw/zinc/08/27/83/412082783.db2.gz IGTPUJPFVCTGMK-UHFFFAOYSA-N 1 3 226.389 2.350 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336681995 171389821 /nfs/dbraw/zinc/38/98/21/171389821.db2.gz HZZLKXLCXJBUOL-SRVKXCTJSA-N 1 3 200.370 2.208 20 0 BEADHO CC(C)C[C@@H](C)CN1CC2CC1(C[NH3+])C2 ZINC000662306337 412091511 /nfs/dbraw/zinc/09/15/11/412091511.db2.gz QOOCJWUIEMKLCJ-PNESKVBLSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CCCN(Cc2ccno2)[C@@H]1CCC[NH3+] ZINC000662312017 412094792 /nfs/dbraw/zinc/09/47/92/412094792.db2.gz FSCXKKDSXKWBFA-DGCLKSJQSA-N 1 3 237.347 2.014 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662322541 412101155 /nfs/dbraw/zinc/10/11/55/412101155.db2.gz NAFDBNYXEDMZFS-DZGCQCFKSA-N 1 3 244.382 2.258 20 0 BEADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CC1(C)C ZINC000662345687 412116919 /nfs/dbraw/zinc/11/69/19/412116919.db2.gz LCEFZRZFNCCBPN-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CC1(C)C ZINC000662345687 412116922 /nfs/dbraw/zinc/11/69/22/412116922.db2.gz LCEFZRZFNCCBPN-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000665238193 412178748 /nfs/dbraw/zinc/17/87/48/412178748.db2.gz SVKKCHKVNNVKOY-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCCC1)c1cccc(CO)c1 ZINC000665247918 412192128 /nfs/dbraw/zinc/19/21/28/412192128.db2.gz LTSQFHAHFXMOOS-GFCCVEGCSA-N 1 3 248.370 2.101 20 0 BEADHO COCc1csc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000665263457 412206074 /nfs/dbraw/zinc/20/60/74/412206074.db2.gz MLCXYXHZRCZNBV-ZJUUUORDSA-N 1 3 242.388 2.110 20 0 BEADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1=CCCC1 ZINC000665274041 412215519 /nfs/dbraw/zinc/21/55/19/412215519.db2.gz IMEQJYQTHFWTDO-STQMWFEESA-N 1 3 208.349 2.346 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1(F)F ZINC000665266822 412210403 /nfs/dbraw/zinc/21/04/03/412210403.db2.gz KIWVYMVKOIAFAC-MXWKQRLJSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266913 412210500 /nfs/dbraw/zinc/21/05/00/412210500.db2.gz LTQLQQNPADMTMK-GUBZILKMSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@]1(CN[C@@H]2CCCCC[C@H]2[NH3+])CC1(F)F ZINC000665266803 412210601 /nfs/dbraw/zinc/21/06/01/412210601.db2.gz KCAZIQOFVCKVRM-GMTAPVOTSA-N 1 3 232.318 2.281 20 0 BEADHO CC1(C)[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1(F)F ZINC000665274801 412213513 /nfs/dbraw/zinc/21/35/13/412213513.db2.gz YOYFCEQJVGPCNP-GUBZILKMSA-N 1 3 232.318 2.137 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274021 412216088 /nfs/dbraw/zinc/21/60/88/412216088.db2.gz ICUJSGBQJRROHZ-BARDWOONSA-N 1 3 230.355 2.402 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279530 412221423 /nfs/dbraw/zinc/22/14/23/412221423.db2.gz FSKGIXKNCCSKMZ-ATJQQHLPSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@@H](C1CC1)C1CCCC1)C12CC(C1)CN2 ZINC000665279872 412224971 /nfs/dbraw/zinc/22/49/71/412224971.db2.gz NZDGKCBVNHNCMD-XGTXGMFGSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@@H](C1CC1)C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000665279872 412224973 /nfs/dbraw/zinc/22/49/73/412224973.db2.gz NZDGKCBVNHNCMD-XGTXGMFGSA-N 1 3 234.387 2.297 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC12CCC2 ZINC000665282053 412225846 /nfs/dbraw/zinc/22/58/46/412225846.db2.gz PSFYQRVCXLJUQT-NEPJUHHUSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC12CCC2 ZINC000665282053 412225847 /nfs/dbraw/zinc/22/58/47/412225847.db2.gz PSFYQRVCXLJUQT-NEPJUHHUSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)C1CCCCC1 ZINC000665283640 412228652 /nfs/dbraw/zinc/22/86/52/412228652.db2.gz RMVCEAHFWJBPHW-NEPJUHHUSA-N 1 3 224.392 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H](CCC(C)C)C1CC1 ZINC000665297346 412237092 /nfs/dbraw/zinc/23/70/92/412237092.db2.gz DMBYZDSWPYMBGI-YPMHNXCESA-N 1 3 212.381 2.399 20 0 BEADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H]1CCOC1(C)C ZINC000328278707 173004154 /nfs/dbraw/zinc/00/41/54/173004154.db2.gz YSBNICBXVQCCNC-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CCCC[C@@H]1CCN[C@H]1CCOC1(C)C ZINC000328278707 173004157 /nfs/dbraw/zinc/00/41/57/173004157.db2.gz YSBNICBXVQCCNC-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CN1CCC[C@H]1CC[NH+]1CCC(C(F)F)CC1 ZINC000336678618 173050773 /nfs/dbraw/zinc/05/07/73/173050773.db2.gz BQIQSBVWFCLAJC-LBPRGKRZSA-N 1 3 246.345 2.448 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000367158592 173060528 /nfs/dbraw/zinc/06/05/28/173060528.db2.gz TVEVJMHEDBUNRN-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000367158592 173060530 /nfs/dbraw/zinc/06/05/30/173060530.db2.gz TVEVJMHEDBUNRN-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000353432131 173152515 /nfs/dbraw/zinc/15/25/15/173152515.db2.gz AQNCMAZFNAOPQE-KKUMJFAQSA-N 1 3 248.370 2.285 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000353432131 173152516 /nfs/dbraw/zinc/15/25/16/173152516.db2.gz AQNCMAZFNAOPQE-KKUMJFAQSA-N 1 3 248.370 2.285 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@H]21 ZINC000340525609 173154250 /nfs/dbraw/zinc/15/42/50/173154250.db2.gz WVMNOXKPDVJCNZ-MBJXGIAVSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@H]21 ZINC000340525609 173154252 /nfs/dbraw/zinc/15/42/52/173154252.db2.gz WVMNOXKPDVJCNZ-MBJXGIAVSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@H]21 ZINC000340525609 173154253 /nfs/dbraw/zinc/15/42/53/173154253.db2.gz WVMNOXKPDVJCNZ-MBJXGIAVSA-N 1 3 240.366 2.339 20 0 BEADHO C[NH2+]CCC1CCN(Cc2cnccc2C)CC1 ZINC000135500478 173343248 /nfs/dbraw/zinc/34/32/48/173343248.db2.gz WFXYMLFJDXQMOR-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCCC(C)(C)C)C1 ZINC000300886145 173369571 /nfs/dbraw/zinc/36/95/71/173369571.db2.gz PDQIULHKIQIYCF-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000300886145 173369572 /nfs/dbraw/zinc/36/95/72/173369572.db2.gz PDQIULHKIQIYCF-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300886145 173369574 /nfs/dbraw/zinc/36/95/74/173369574.db2.gz PDQIULHKIQIYCF-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011888655 173379102 /nfs/dbraw/zinc/37/91/02/173379102.db2.gz AJWAQCQDRDZESL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011888655 173379104 /nfs/dbraw/zinc/37/91/04/173379104.db2.gz AJWAQCQDRDZESL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000053012238 173381799 /nfs/dbraw/zinc/38/17/99/173381799.db2.gz LZWHOWKJRAMZKN-QWHCGFSZSA-N 1 3 218.344 2.289 20 0 BEADHO COCCCC[N@H+](CCCN)CC1CCCC1 ZINC000352520053 174189710 /nfs/dbraw/zinc/18/97/10/174189710.db2.gz UTZUYXPFCYFOPK-UHFFFAOYSA-N 1 3 242.407 2.254 20 0 BEADHO COCCCC[N@@H+](CCCN)CC1CCCC1 ZINC000352520053 174189713 /nfs/dbraw/zinc/18/97/13/174189713.db2.gz UTZUYXPFCYFOPK-UHFFFAOYSA-N 1 3 242.407 2.254 20 0 BEADHO COCC[C@@H](C)[NH2+]CCCN1CCC(C)CC1 ZINC000045018620 174382724 /nfs/dbraw/zinc/38/27/24/174382724.db2.gz WXSPTYNRTIWMTI-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO COc1ccc(C)cc1CN1CCC(C[NH3+])CC1 ZINC000044513678 175075139 /nfs/dbraw/zinc/07/51/39/175075139.db2.gz LCPQGBDJBMMFNO-UHFFFAOYSA-N 1 3 248.370 2.174 20 0 BEADHO C[C@@H]([NH2+]CCCN)[C@@H](C)c1ccccc1 ZINC000309376650 176023368 /nfs/dbraw/zinc/02/33/68/176023368.db2.gz CTKALDBATMGIKM-VXGBXAGGSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@@H]1CCC[C@@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359294833 176117408 /nfs/dbraw/zinc/11/74/08/176117408.db2.gz AUVFLLAFSVICSF-BARDWOONSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC000235300204 176122681 /nfs/dbraw/zinc/12/26/81/176122681.db2.gz ULBIUFNMPDAOQF-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CC[N@H+](CCCCCF)C[C@@H]1CN ZINC000336695459 176169065 /nfs/dbraw/zinc/16/90/65/176169065.db2.gz NWIANVCSFZTACX-NEPJUHHUSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCCCF)C[C@@H]1CN ZINC000336695459 176169068 /nfs/dbraw/zinc/16/90/68/176169068.db2.gz NWIANVCSFZTACX-NEPJUHHUSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@@H]1CCN(CCCCCF)C[C@@H]1C[NH3+] ZINC000336695459 176169070 /nfs/dbraw/zinc/16/90/70/176169070.db2.gz NWIANVCSFZTACX-NEPJUHHUSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccccc1 ZINC000275296915 176269914 /nfs/dbraw/zinc/26/99/14/176269914.db2.gz PMTQEFRTNMTHJU-HIFRSBDPSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccccc1 ZINC000275296915 176269915 /nfs/dbraw/zinc/26/99/15/176269915.db2.gz PMTQEFRTNMTHJU-HIFRSBDPSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CSC1(C)C ZINC000309823376 176280969 /nfs/dbraw/zinc/28/09/69/176280969.db2.gz WVTQGNGZADXBRE-KKOKHZNYSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CSC1(C)C ZINC000309823376 176280970 /nfs/dbraw/zinc/28/09/70/176280970.db2.gz WVTQGNGZADXBRE-KKOKHZNYSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[C@@H](CN2Cc3ccccc3C2)CC[NH2+]1 ZINC000235414130 176368968 /nfs/dbraw/zinc/36/89/68/176368968.db2.gz CVOGTYIDIURRIJ-OLZOCXBDSA-N 1 3 230.355 2.390 20 0 BEADHO C[C@@H]1C[C@@H](NCCOc2ccccc2)CC[N@@H+]1C ZINC000129652629 176376936 /nfs/dbraw/zinc/37/69/36/176376936.db2.gz XBJHOCRFFJIVDB-KGLIPLIRSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@@H]1C[C@@H](NCCOc2ccccc2)CC[N@H+]1C ZINC000129652629 176376938 /nfs/dbraw/zinc/37/69/38/176376938.db2.gz XBJHOCRFFJIVDB-KGLIPLIRSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@H](CC[NH2+]C[C@H]1C[C@H]1C)N1CCCCC1 ZINC000309757143 176396520 /nfs/dbraw/zinc/39/65/20/176396520.db2.gz LURZBBUMBMFANN-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473406 177044219 /nfs/dbraw/zinc/04/42/19/177044219.db2.gz NZZGOCAJVWEUFJ-XJFOESAGSA-N 1 3 245.370 2.202 20 0 BEADHO C[C@H]1CCCCN1CCC[NH2+]CC1CC1 ZINC000037118285 177076022 /nfs/dbraw/zinc/07/60/22/177076022.db2.gz HPYDKFSJZGFPJY-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CN(CCCCCCC[NH3+])C[C@H](C)O1 ZINC000020071874 177248120 /nfs/dbraw/zinc/24/81/20/177248120.db2.gz GOROZGHHSNVMQW-BETUJISGSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007600 177284549 /nfs/dbraw/zinc/28/45/49/177284549.db2.gz PARVQYVPHSYBED-AAEUAGOBSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]1C[C@@H](CN2Cc3ccccc3C2)CC[NH2+]1 ZINC000235744146 177324363 /nfs/dbraw/zinc/32/43/63/177324363.db2.gz CVOGTYIDIURRIJ-STQMWFEESA-N 1 3 230.355 2.390 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)C[C@@H]1C ZINC000251525181 177332248 /nfs/dbraw/zinc/33/22/48/177332248.db2.gz ACNARBXHXSZUKL-RFGFWPKPSA-N 1 3 224.392 2.400 20 0 BEADHO CN(C)CC(C)(C)C[NH2+]C/C=C\c1ccncc1 ZINC000486931121 225272158 /nfs/dbraw/zinc/27/21/58/225272158.db2.gz ABPOYOPEQKKCSH-WAYWQWQTSA-N 1 3 247.386 2.272 20 0 BEADHO C[C@H]1C[C@H]1C[NH+]1CCC(N2CCCC2)CC1 ZINC000488310164 225366847 /nfs/dbraw/zinc/36/68/47/225366847.db2.gz PQCORMYVNHRIFI-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](N[C@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400368642 226342011 /nfs/dbraw/zinc/34/20/11/226342011.db2.gz GAMKZSUXASMUTL-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)[C@H]1CCCN1 ZINC000400368642 226342012 /nfs/dbraw/zinc/34/20/12/226342012.db2.gz GAMKZSUXASMUTL-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400630252 226348174 /nfs/dbraw/zinc/34/81/74/226348174.db2.gz LPLFJCSAWJOUJS-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000400630252 226348175 /nfs/dbraw/zinc/34/81/75/226348175.db2.gz LPLFJCSAWJOUJS-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474606 487655171 /nfs/dbraw/zinc/65/51/71/487655171.db2.gz QMCRWCQNUWMDCQ-FAAHXZRKSA-N 1 3 245.370 2.202 20 0 BEADHO CC[C@H]1C[C@H]([NH2+]CCCN(C)C(C)C)CCO1 ZINC000226340024 487714724 /nfs/dbraw/zinc/71/47/24/487714724.db2.gz JIAGANJGGRZTTH-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC[NH+](CC)CCCNC[C@@](C)(CC)OC ZINC000233455088 487716413 /nfs/dbraw/zinc/71/64/13/487716413.db2.gz BPWBGVWSXSAWIV-CYBMUJFWSA-N 1 3 230.396 2.123 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@@](C)(CC)OC ZINC000233455088 487716419 /nfs/dbraw/zinc/71/64/19/487716419.db2.gz BPWBGVWSXSAWIV-CYBMUJFWSA-N 1 3 230.396 2.123 20 0 BEADHO CC(C)CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250543448 487734431 /nfs/dbraw/zinc/73/44/31/487734431.db2.gz CHFWAZGVJCVBOG-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO c1cc(N2CCN(CCC3CC3)CC2)cc[nH+]1 ZINC000675500460 487742496 /nfs/dbraw/zinc/74/24/96/487742496.db2.gz VFPRFKAITMBJLZ-UHFFFAOYSA-N 1 3 231.343 2.004 20 0 BEADHO CC[C@](C)(CNCCC[NH+]1CCCCC1)OC ZINC000234097638 487760562 /nfs/dbraw/zinc/76/05/62/487760562.db2.gz XWDJAQDFYGCMTG-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO C[C@@H](CN)C[N@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172652126 974895925 /nfs/dbraw/zinc/89/59/25/974895925.db2.gz MGHKZEGKSKJUDU-NSHDSACASA-N 1 3 242.407 2.249 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172652126 974895932 /nfs/dbraw/zinc/89/59/32/974895932.db2.gz MGHKZEGKSKJUDU-NSHDSACASA-N 1 3 242.407 2.249 20 0 BEADHO CC[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1N ZINC000251784115 487798445 /nfs/dbraw/zinc/79/84/45/487798445.db2.gz NFNSFCFEEKOLCQ-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1N ZINC000251784115 487798452 /nfs/dbraw/zinc/79/84/52/487798452.db2.gz NFNSFCFEEKOLCQ-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cccc(C(C)(C)NCCC[NH3+])c1 ZINC000414706226 487819190 /nfs/dbraw/zinc/81/91/90/487819190.db2.gz LCRXQYPPZXJZKI-UHFFFAOYSA-N 1 3 206.333 2.169 20 0 BEADHO COc1cccc([C@@H]2C[C@H](C)CN2CCC[NH3+])c1 ZINC000414740207 487819851 /nfs/dbraw/zinc/81/98/51/487819851.db2.gz KTPNDLRVHIOJJB-WFASDCNBSA-N 1 3 248.370 2.427 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)cn1 ZINC000414932893 487830394 /nfs/dbraw/zinc/83/03/94/487830394.db2.gz WDMANDTWGROWHG-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494960060 527816930 /nfs/dbraw/zinc/81/69/30/527816930.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 1 3 242.432 2.013 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494960060 527816934 /nfs/dbraw/zinc/81/69/34/527816934.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCSC2)C1 ZINC000494960060 527816939 /nfs/dbraw/zinc/81/69/39/527816939.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCSC2)C1 ZINC000494960060 527816942 /nfs/dbraw/zinc/81/69/42/527816942.db2.gz XPQLSXMEVCJQLA-QWHCGFSZSA-N 1 3 242.432 2.013 20 0 BEADHO CC(C)(C[NH2+]CCCN)Cc1ccccc1 ZINC000415084289 487836809 /nfs/dbraw/zinc/83/68/09/487836809.db2.gz ORZUHIXLUQRGHR-UHFFFAOYSA-N 1 3 220.360 2.194 20 0 BEADHO C[C@@H](CNCCC[NH3+])c1ccc(F)cc1F ZINC000415099672 487837157 /nfs/dbraw/zinc/83/71/57/487837157.db2.gz GYIATNFOQMWSQW-VIFPVBQESA-N 1 3 228.286 2.007 20 0 BEADHO C[C@@H](C[NH2+]CCCN)c1ccc(F)cc1F ZINC000415099672 487837165 /nfs/dbraw/zinc/83/71/65/487837165.db2.gz GYIATNFOQMWSQW-VIFPVBQESA-N 1 3 228.286 2.007 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400461630 529312279 /nfs/dbraw/zinc/31/22/79/529312279.db2.gz RSAIEVRAIFJBHI-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000400461630 529312282 /nfs/dbraw/zinc/31/22/82/529312282.db2.gz RSAIEVRAIFJBHI-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)(N)C[NH2+]Cc1cccc2cnccc21 ZINC000666751885 487872018 /nfs/dbraw/zinc/87/20/18/487872018.db2.gz RENNHGZDWWQBHT-UHFFFAOYSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C)C(C)(C)C ZINC000379943462 487874640 /nfs/dbraw/zinc/87/46/40/487874640.db2.gz CPMSHDHIYYEHRC-UTUOFQBUSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@H](CCC(F)(F)F)NC[C@@H]1CCCC[NH2+]1 ZINC000666769916 487875988 /nfs/dbraw/zinc/87/59/88/487875988.db2.gz HFOCQKRTCWRMCN-ZJUUUORDSA-N 1 3 238.297 2.449 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2cnccc2c1 ZINC000666911659 487878855 /nfs/dbraw/zinc/87/88/55/487878855.db2.gz BQMVXCIKPHRBRU-AWEZNQCLSA-N 1 3 229.327 2.062 20 0 BEADHO CC(C)(CNC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000666834260 487883180 /nfs/dbraw/zinc/88/31/80/487883180.db2.gz LOPSKEFVNJAJAE-CQSZACIVSA-N 1 3 232.371 2.291 20 0 BEADHO CC1CN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000670270627 487886865 /nfs/dbraw/zinc/88/68/65/487886865.db2.gz CRXKVPSDNWYZAG-UHFFFAOYSA-N 1 3 248.370 2.079 20 0 BEADHO N[C@H](C[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000666834294 487887764 /nfs/dbraw/zinc/88/77/64/487887764.db2.gz ZPJBTFZQPYMEIU-OAHLLOKOSA-N 1 3 230.355 2.391 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc2cnccc2c1 ZINC000666833204 487888087 /nfs/dbraw/zinc/88/80/87/487888087.db2.gz QRPMQJLHHAGAPT-NSHDSACASA-N 1 3 229.327 2.062 20 0 BEADHO COCCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCC1 ZINC000666853122 487890733 /nfs/dbraw/zinc/89/07/33/487890733.db2.gz MXKPQFPIBHHGQE-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCN[C@H](C)C1)C(C)(C)C ZINC000666874264 487895668 /nfs/dbraw/zinc/89/56/68/487895668.db2.gz VZACDGQTFBRLQF-TUAOUCFPSA-N 1 3 212.381 2.399 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H](C)C(C)(C)C ZINC000666878585 487896024 /nfs/dbraw/zinc/89/60/24/487896024.db2.gz OYQOWEDPXLOFNO-WDEREUQCSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)[C@H]1CCN ZINC000404296875 487916986 /nfs/dbraw/zinc/91/69/86/487916986.db2.gz OBYNMRCZALQCJE-RDBSUJKOSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)[C@H]1CCN ZINC000404296875 487916992 /nfs/dbraw/zinc/91/69/92/487916992.db2.gz OBYNMRCZALQCJE-RDBSUJKOSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCCN(Cc2cccc(O)c2)[C@@H]1CC[NH3+] ZINC000404294060 487917060 /nfs/dbraw/zinc/91/70/60/487917060.db2.gz MROAIQNFCHFBPZ-IUODEOHRSA-N 1 3 248.370 2.342 20 0 BEADHO CC(C)[NH+]1CCC(NCCC(C)(F)F)CC1 ZINC000357710293 487917205 /nfs/dbraw/zinc/91/72/05/487917205.db2.gz OEVRBKWEQHWDLK-UHFFFAOYSA-N 1 3 234.334 2.494 20 0 BEADHO C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCSC1 ZINC000666993957 487923418 /nfs/dbraw/zinc/92/34/18/487923418.db2.gz WMIKMHCQNXIAOZ-VXGBXAGGSA-N 1 3 240.416 2.004 20 0 BEADHO C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1CCSC1 ZINC000666993955 487923731 /nfs/dbraw/zinc/92/37/31/487923731.db2.gz WMIKMHCQNXIAOZ-NWDGAFQWSA-N 1 3 240.416 2.004 20 0 BEADHO C1CC2(C1)C[C@H]([NH2+][C@H]1CCCSC1)CCN2 ZINC000666995662 487924536 /nfs/dbraw/zinc/92/45/36/487924536.db2.gz VPUHEODVETWDBB-NEPJUHHUSA-N 1 3 240.416 2.146 20 0 BEADHO C1CC2(C1)C[C@H](N[C@H]1CCCSC1)CC[NH2+]2 ZINC000666995662 487924543 /nfs/dbraw/zinc/92/45/43/487924543.db2.gz VPUHEODVETWDBB-NEPJUHHUSA-N 1 3 240.416 2.146 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995574 487924553 /nfs/dbraw/zinc/92/45/53/487924553.db2.gz SHPPVWJEGYJTOH-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995313 487924680 /nfs/dbraw/zinc/92/46/80/487924680.db2.gz JZCIDWIAWPSZJL-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000157892364 487928653 /nfs/dbraw/zinc/92/86/53/487928653.db2.gz SQABZFBHKYFATE-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000157892364 487928658 /nfs/dbraw/zinc/92/86/58/487928658.db2.gz SQABZFBHKYFATE-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CC1(C)CCC[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000560973652 322993761 /nfs/dbraw/zinc/99/37/61/322993761.db2.gz CIMHUOINLYVBNX-NDBYEHHHSA-N 1 3 222.376 2.010 20 0 BEADHO FC1(F)CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000405053920 323032442 /nfs/dbraw/zinc/03/24/42/323032442.db2.gz JSDHIDJRIZUIMA-UHFFFAOYSA-N 1 3 246.345 2.497 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000570107601 323050230 /nfs/dbraw/zinc/05/02/30/323050230.db2.gz XURHFGCJIMBPDJ-KWCYVHTRSA-N 1 3 248.370 2.183 20 0 BEADHO Cc1ccc(CN[C@@H](C)CCCC[NH3+])nc1C ZINC000314200227 323080696 /nfs/dbraw/zinc/08/06/96/323080696.db2.gz RBOLJJIDCORJLV-LBPRGKRZSA-N 1 3 235.375 2.306 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000563154708 323095697 /nfs/dbraw/zinc/09/56/97/323095697.db2.gz TWALEVYVDCCQEL-UMSGYPCISA-N 1 3 228.355 2.387 20 0 BEADHO CC(C)[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 ZINC000563348529 323119922 /nfs/dbraw/zinc/11/99/22/323119922.db2.gz BTFIMBDCIPTINL-KGYLQXTDSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)C[C@H]2C)CCO1 ZINC000563350990 323120067 /nfs/dbraw/zinc/12/00/67/323120067.db2.gz UOQXEALTPGSJKX-YIYPIFLZSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)C[C@H]2C)CCO1 ZINC000563350990 323120068 /nfs/dbraw/zinc/12/00/68/323120068.db2.gz UOQXEALTPGSJKX-YIYPIFLZSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](CN2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000563350990 323120069 /nfs/dbraw/zinc/12/00/69/323120069.db2.gz UOQXEALTPGSJKX-YIYPIFLZSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CN1CCCC1 ZINC000408510380 323120525 /nfs/dbraw/zinc/12/05/25/323120525.db2.gz NFIWDWRFZSIXOJ-BYNSBNAKSA-N 1 3 236.403 2.497 20 0 BEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563430467 323124984 /nfs/dbraw/zinc/12/49/84/323124984.db2.gz CKHSPLSZLODUBH-KYOSRNDESA-N 1 3 245.370 2.116 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000395136324 323188856 /nfs/dbraw/zinc/18/88/56/323188856.db2.gz RTLRVQBKVZSEJH-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000530217073 323217156 /nfs/dbraw/zinc/21/71/56/323217156.db2.gz FCFVPJNMQIDJIK-MELADBBJSA-N 1 3 222.376 2.450 20 0 BEADHO C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCCNC1 ZINC000324788292 323282736 /nfs/dbraw/zinc/28/27/36/323282736.db2.gz IYKBDOIRJGNIOF-BXUZGUMPSA-N 1 3 222.376 2.154 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCC1 ZINC000324908067 323301692 /nfs/dbraw/zinc/30/16/92/323301692.db2.gz ITUBURVQVSBEJV-KGYLQXTDSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCC1 ZINC000324921613 323304213 /nfs/dbraw/zinc/30/42/13/323304213.db2.gz LLTHUWYZQWHDTO-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)CC(C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000530225815 324546875 /nfs/dbraw/zinc/54/68/75/324546875.db2.gz NTONHGNNKRROPY-LBPRGKRZSA-N 1 3 224.392 2.400 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000131472587 325154787 /nfs/dbraw/zinc/15/47/87/325154787.db2.gz PJJHNFWGCKUZLM-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CCCCOC)C1 ZINC000076002680 325324878 /nfs/dbraw/zinc/32/48/78/325324878.db2.gz KDTMMKNZZKWSAT-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC000076002680 325324880 /nfs/dbraw/zinc/32/48/80/325324880.db2.gz KDTMMKNZZKWSAT-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC[C@H]2F)C1 ZINC000565313675 325895944 /nfs/dbraw/zinc/89/59/44/325895944.db2.gz MNCABZDSHFMZSD-WRWGMCAJSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000566481335 326051058 /nfs/dbraw/zinc/05/10/58/326051058.db2.gz HFOXFYKQQASXJW-IWSPIJDZSA-N 1 3 224.270 2.044 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1 ZINC000567249497 326150512 /nfs/dbraw/zinc/15/05/12/326150512.db2.gz ICYIUSVSDIRJMI-MGPQQGTHSA-N 1 3 248.370 2.313 20 0 BEADHO CCNCCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000567462610 326197496 /nfs/dbraw/zinc/19/74/96/326197496.db2.gz WQWKOLOJQFSMHA-ZDUSSCGKSA-N 1 3 210.365 2.154 20 0 BEADHO CCNCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000568617077 326367960 /nfs/dbraw/zinc/36/79/60/326367960.db2.gz BDBWUSZJBPOXGS-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CN(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000568901047 326382351 /nfs/dbraw/zinc/38/23/51/326382351.db2.gz KUABCQXJTOPMJL-UHFFFAOYSA-N 1 3 222.307 2.008 20 0 BEADHO C1=C(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000401027251 488000185 /nfs/dbraw/zinc/00/01/85/488000185.db2.gz KOZRYILJPMTYTG-KBPBESRZSA-N 1 3 220.360 2.313 20 0 BEADHO C1=C(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000401027251 488000190 /nfs/dbraw/zinc/00/01/90/488000190.db2.gz KOZRYILJPMTYTG-KBPBESRZSA-N 1 3 220.360 2.313 20 0 BEADHO C1=C(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000401027254 488000203 /nfs/dbraw/zinc/00/02/03/488000203.db2.gz KOZRYILJPMTYTG-UONOGXRCSA-N 1 3 220.360 2.313 20 0 BEADHO C1=C(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000401027254 488000206 /nfs/dbraw/zinc/00/02/06/488000206.db2.gz KOZRYILJPMTYTG-UONOGXRCSA-N 1 3 220.360 2.313 20 0 BEADHO CNCCC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000388685206 488029558 /nfs/dbraw/zinc/02/95/58/488029558.db2.gz KHXOSIPEJALIRE-LLVKDONJSA-N 1 3 200.370 2.210 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000388685206 488029566 /nfs/dbraw/zinc/02/95/66/488029566.db2.gz KHXOSIPEJALIRE-LLVKDONJSA-N 1 3 200.370 2.210 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H](C)C(C)(C)C ZINC000388685206 488029569 /nfs/dbraw/zinc/02/95/69/488029569.db2.gz KHXOSIPEJALIRE-LLVKDONJSA-N 1 3 200.370 2.210 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403375565 488122017 /nfs/dbraw/zinc/12/20/17/488122017.db2.gz KEHPKZWJWUMXPE-XGFWRYKXSA-N 1 3 222.376 2.234 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403375565 488122022 /nfs/dbraw/zinc/12/20/22/488122022.db2.gz KEHPKZWJWUMXPE-XGFWRYKXSA-N 1 3 222.376 2.234 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403375565 488122025 /nfs/dbraw/zinc/12/20/25/488122025.db2.gz KEHPKZWJWUMXPE-XGFWRYKXSA-N 1 3 222.376 2.234 20 0 BEADHO CC(C)([NH3+])CNCC(C)(C)c1ccccc1 ZINC000258677497 488127286 /nfs/dbraw/zinc/12/72/86/488127286.db2.gz ANTFBZUACJERGP-UHFFFAOYSA-N 1 3 220.360 2.291 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403592340 488128397 /nfs/dbraw/zinc/12/83/97/488128397.db2.gz DLLRZCZSIVOGNU-NJMOYASZSA-N 1 3 208.349 2.035 20 0 BEADHO CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1N ZINC000403627704 488129532 /nfs/dbraw/zinc/12/95/32/488129532.db2.gz MITJONIZFSLLQQ-ARILJUKYSA-N 1 3 236.403 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@H]1N ZINC000403627704 488129538 /nfs/dbraw/zinc/12/95/38/488129538.db2.gz MITJONIZFSLLQQ-ARILJUKYSA-N 1 3 236.403 2.482 20 0 BEADHO C[NH+]1CCC([C@H]2CCN(CC3(F)CC3)C2)CC1 ZINC000685462853 487530632 /nfs/dbraw/zinc/53/06/32/487530632.db2.gz UAJIXMIBCRQEIB-ZDUSSCGKSA-N 1 3 240.366 2.152 20 0 BEADHO C[NH+]1CCC([C@@H]2CCN(CC3(F)CC3)C2)CC1 ZINC000685462852 487530373 /nfs/dbraw/zinc/53/03/73/487530373.db2.gz UAJIXMIBCRQEIB-CYBMUJFWSA-N 1 3 240.366 2.152 20 0 BEADHO C[C@H](CCN)[NH2+]CC(C)(C)c1ccccc1 ZINC000220521055 487513694 /nfs/dbraw/zinc/51/36/94/487513694.db2.gz TUQSWORRRBRNEI-GFCCVEGCSA-N 1 3 220.360 2.291 20 0 BEADHO C[C@H](CC[NH3+])NCC(C)(C)c1ccccc1 ZINC000220521055 487513696 /nfs/dbraw/zinc/51/36/96/487513696.db2.gz TUQSWORRRBRNEI-GFCCVEGCSA-N 1 3 220.360 2.291 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc3c2NCC3)C1 ZINC000334849099 487573532 /nfs/dbraw/zinc/57/35/32/487573532.db2.gz VDIVYAJWHMIKGE-UONOGXRCSA-N 1 3 245.370 2.014 20 0 BEADHO C(=C\c1ccccc1)\CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000323665575 487799610 /nfs/dbraw/zinc/79/96/10/487799610.db2.gz DMKRXWINOLZRMX-YDULJECNSA-N 1 3 242.366 2.241 20 0 BEADHO CC[C@H](C)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417671 487824063 /nfs/dbraw/zinc/82/40/63/487824063.db2.gz SUSIWNCPSNUWKN-MELADBBJSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)CC1 ZINC000235269637 488134211 /nfs/dbraw/zinc/13/42/11/488134211.db2.gz ZEQBXCGKKDZRQM-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398799009 488224593 /nfs/dbraw/zinc/22/45/93/488224593.db2.gz NDJLOEGAYJAMKA-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799009 488224594 /nfs/dbraw/zinc/22/45/94/488224594.db2.gz NDJLOEGAYJAMKA-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398799010 488224723 /nfs/dbraw/zinc/22/47/23/488224723.db2.gz NDJLOEGAYJAMKA-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799010 488224725 /nfs/dbraw/zinc/22/47/25/488224725.db2.gz NDJLOEGAYJAMKA-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cccc(CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000679214956 488317316 /nfs/dbraw/zinc/31/73/16/488317316.db2.gz VXEIWOGBXQTGCZ-HOTGVXAUSA-N 1 3 244.382 2.079 20 0 BEADHO CC1(C)CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000129586061 490153496 /nfs/dbraw/zinc/15/34/96/490153496.db2.gz XMPDXDDOKXFROX-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@]1(CN)CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300802358 490569124 /nfs/dbraw/zinc/56/91/24/490569124.db2.gz DCTPNDQNNGXZQK-WDEREUQCSA-N 1 3 232.318 2.093 20 0 BEADHO C[C@]1(CN)CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300802358 490569126 /nfs/dbraw/zinc/56/91/26/490569126.db2.gz DCTPNDQNNGXZQK-WDEREUQCSA-N 1 3 232.318 2.093 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH+](CC)CC ZINC000077951820 490618149 /nfs/dbraw/zinc/61/81/49/490618149.db2.gz XMBQTWCKXSGBGX-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCN(CC)[C@H](C)CC[NH+](CC)CC ZINC000077951820 490618150 /nfs/dbraw/zinc/61/81/50/490618150.db2.gz XMBQTWCKXSGBGX-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665282902 491107938 /nfs/dbraw/zinc/10/79/38/491107938.db2.gz DORVYRBLNKTLGN-TZMCWYRMSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCCc1ccco1 ZINC000665282902 491107940 /nfs/dbraw/zinc/10/79/40/491107940.db2.gz DORVYRBLNKTLGN-TZMCWYRMSA-N 1 3 236.359 2.190 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000414862856 491111404 /nfs/dbraw/zinc/11/14/04/491111404.db2.gz BCFVMNUQTCHANT-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000488310707 533721952 /nfs/dbraw/zinc/72/19/52/533721952.db2.gz HJMONTNTFAWEAR-XJFOESAGSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000488310707 533721960 /nfs/dbraw/zinc/72/19/60/533721960.db2.gz HJMONTNTFAWEAR-XJFOESAGSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@H](N[C@H]1CCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400342039 534013300 /nfs/dbraw/zinc/01/33/00/534013300.db2.gz GALZRROUMOETGW-WHOFXGATSA-N 1 3 230.355 2.262 20 0 BEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC1CCN(C)CC1 ZINC000892224573 582810272 /nfs/dbraw/zinc/81/02/72/582810272.db2.gz XSPSXUNVTSYELF-VXGBXAGGSA-N 1 3 210.365 2.201 20 0 BEADHO CC(C)C(C[NH2+]CCOCCN(C)C)C(C)C ZINC000302549988 527587792 /nfs/dbraw/zinc/58/77/92/527587792.db2.gz JURSEBYNGRORRY-UHFFFAOYSA-N 1 3 244.423 2.082 20 0 BEADHO CO[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCN2C)C1 ZINC001172927770 974973543 /nfs/dbraw/zinc/97/35/43/974973543.db2.gz ZVVKNMNPDNLSKX-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400461628 529312254 /nfs/dbraw/zinc/31/22/54/529312254.db2.gz RSAIEVRAIFJBHI-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000400461628 529312256 /nfs/dbraw/zinc/31/22/56/529312256.db2.gz RSAIEVRAIFJBHI-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN ZINC000225140344 535204897 /nfs/dbraw/zinc/20/48/97/535204897.db2.gz VKULFCBPUSIAEE-UPJWGTAASA-N 1 3 212.381 2.386 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@H]1CCSC1 ZINC000179568555 535503794 /nfs/dbraw/zinc/50/37/94/535503794.db2.gz ORTWGCXFUJAFHO-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCSC1 ZINC000179568555 535503797 /nfs/dbraw/zinc/50/37/97/535503797.db2.gz ORTWGCXFUJAFHO-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000174211816 535584830 /nfs/dbraw/zinc/58/48/30/535584830.db2.gz NJWJGVTXSIZUGP-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000174211816 535584838 /nfs/dbraw/zinc/58/48/38/535584838.db2.gz NJWJGVTXSIZUGP-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(CC2CCC2)C1 ZINC000174211816 535584842 /nfs/dbraw/zinc/58/48/42/535584842.db2.gz NJWJGVTXSIZUGP-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCOC[C@@H]([NH2+]CC[C@H]1CCCN1C)C(C)C ZINC000348481046 535669989 /nfs/dbraw/zinc/66/99/89/535669989.db2.gz SXWCOHUZHMGNOO-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@@H](NCC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000348481046 535669992 /nfs/dbraw/zinc/66/99/92/535669992.db2.gz SXWCOHUZHMGNOO-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@@H](NCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000348481046 535669994 /nfs/dbraw/zinc/66/99/94/535669994.db2.gz SXWCOHUZHMGNOO-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261554052 535936274 /nfs/dbraw/zinc/93/62/74/535936274.db2.gz AOXVSQNJHNTAEQ-HOCLYGCPSA-N 1 3 244.382 2.290 20 0 BEADHO CC[C@H](O)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253020149 535978214 /nfs/dbraw/zinc/97/82/14/535978214.db2.gz JNZOXZPTWHZEHK-MJBXVCDLSA-N 1 3 242.407 2.048 20 0 BEADHO CC[C@@]1(C)CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261918607 536038338 /nfs/dbraw/zinc/03/83/38/536038338.db2.gz ZZFDMFIRTSZNFN-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261587432 536180175 /nfs/dbraw/zinc/18/01/75/536180175.db2.gz VBPDECJCQVLOEJ-HRCADAONSA-N 1 3 244.382 2.418 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000252682946 536375602 /nfs/dbraw/zinc/37/56/02/536375602.db2.gz CXZRGFALEOHGSN-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000252682946 536375603 /nfs/dbraw/zinc/37/56/03/536375603.db2.gz CXZRGFALEOHGSN-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)CN1CCCC1 ZINC000348106936 566264785 /nfs/dbraw/zinc/26/47/85/566264785.db2.gz PQFUWEFDFVFNCE-BPLDGKMQSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](CCN1CC[C@@H](C)C1)[N@@H+]1CC[C@@H](C)C1 ZINC000431606916 566366298 /nfs/dbraw/zinc/36/62/98/566366298.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CCN1CC[C@@H](C)C1)[N@H+]1CC[C@@H](C)C1 ZINC000431606916 566366301 /nfs/dbraw/zinc/36/63/01/566366301.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CC[N@@H+]1CC[C@@H](C)C1)N1CC[C@@H](C)C1 ZINC000431606916 566366308 /nfs/dbraw/zinc/36/63/08/566366308.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CC[N@H+]1CC[C@@H](C)C1)N1CC[C@@H](C)C1 ZINC000431606916 566366316 /nfs/dbraw/zinc/36/63/16/566366316.db2.gz VQTQYAIBAKWKHT-MGPQQGTHSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000854229933 588781052 /nfs/dbraw/zinc/78/10/52/588781052.db2.gz ARQQKANOQRCKRZ-JHJVBQTASA-N 1 3 212.381 2.384 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CCN(C)CC2)CC1 ZINC000891820864 582726827 /nfs/dbraw/zinc/72/68/27/582726827.db2.gz CEJJCORMFZRZRM-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CCN(C)CC2)CC1 ZINC000891820864 582726828 /nfs/dbraw/zinc/72/68/28/582726828.db2.gz CEJJCORMFZRZRM-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1CCN(C)CC1 ZINC000891860927 582730735 /nfs/dbraw/zinc/73/07/35/582730735.db2.gz DUIDBGMWSPUHQF-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1[C@@H](C)CCC[N@H+]1CC1CCN(C)CC1 ZINC000891860927 582730737 /nfs/dbraw/zinc/73/07/37/582730737.db2.gz DUIDBGMWSPUHQF-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H]1C[C@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000892068938 582784279 /nfs/dbraw/zinc/78/42/79/582784279.db2.gz WPFSVMAEUONXSZ-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H]1C[C@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000892068938 582784280 /nfs/dbraw/zinc/78/42/80/582784280.db2.gz WPFSVMAEUONXSZ-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO C(CC1CCCCC1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000395115361 583042743 /nfs/dbraw/zinc/04/27/43/583042743.db2.gz IREDKDHZTHIYSU-GJZGRUSLSA-N 1 3 236.403 2.498 20 0 BEADHO Cc1occc1CN[C@@H](C)C1CC[NH+](C)CC1 ZINC000396455736 583082182 /nfs/dbraw/zinc/08/21/82/583082182.db2.gz MMSKSPLAQDKHHN-NSHDSACASA-N 1 3 236.359 2.408 20 0 BEADHO CC(C)(CC[N@@H+]1CC[C@@H](CN)C1)C1CC1 ZINC000328546365 583415016 /nfs/dbraw/zinc/41/50/16/583415016.db2.gz NRJILYPQDYKFNW-NSHDSACASA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)(CC[N@H+]1CC[C@@H](CN)C1)C1CC1 ZINC000328546365 583415017 /nfs/dbraw/zinc/41/50/17/583415017.db2.gz NRJILYPQDYKFNW-NSHDSACASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1C[N@H+](CC2CCN(C)CC2)CCC1(F)F ZINC000894533320 583479038 /nfs/dbraw/zinc/47/90/38/583479038.db2.gz FWDVYXLZZKVMOR-NSHDSACASA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCN(C)CC2)CCC1(F)F ZINC000894533320 583479040 /nfs/dbraw/zinc/47/90/40/583479040.db2.gz FWDVYXLZZKVMOR-NSHDSACASA-N 1 3 246.345 2.305 20 0 BEADHO CN1CCC(C[NH+]2CC(C(C)(C)C)C2)CC1 ZINC000894843989 583530459 /nfs/dbraw/zinc/53/04/59/583530459.db2.gz SYNLAIIXWJMWRO-UHFFFAOYSA-N 1 3 224.392 2.306 20 0 BEADHO C(=C\c1ccccc1)\CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000323665569 583532391 /nfs/dbraw/zinc/53/23/91/583532391.db2.gz DMKRXWINOLZRMX-KQLXTKLJSA-N 1 3 242.366 2.241 20 0 BEADHO C[C@H]1CC(C)(C)C[N@@H+]1CC1CCN(C)CC1 ZINC000894924956 583556690 /nfs/dbraw/zinc/55/66/90/583556690.db2.gz FDZVCKRUMDRZFJ-LBPRGKRZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H]1CC(C)(C)C[N@H+]1CC1CCN(C)CC1 ZINC000894924956 583556691 /nfs/dbraw/zinc/55/66/91/583556691.db2.gz FDZVCKRUMDRZFJ-LBPRGKRZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)CSCCF)N(C)C ZINC000895291536 583637054 /nfs/dbraw/zinc/63/70/54/583637054.db2.gz FWZOGPGAWVNBRQ-WDEREUQCSA-N 1 3 236.400 2.007 20 0 BEADHO C[C@H](CCN[C@@H](C)CSCCF)[NH+](C)C ZINC000895291536 583637057 /nfs/dbraw/zinc/63/70/57/583637057.db2.gz FWZOGPGAWVNBRQ-WDEREUQCSA-N 1 3 236.400 2.007 20 0 BEADHO COC1(C[C@@H](C)[NH2+]CC[C@@H](C)N(C)C)CCC1 ZINC000895294576 583638439 /nfs/dbraw/zinc/63/84/39/583638439.db2.gz RTRGIIKZZHEZSI-CHWSQXEVSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N(C)C)CS1 ZINC000895293727 583639560 /nfs/dbraw/zinc/63/95/60/583639560.db2.gz KPPKZNQVOXOVQW-AGIUHOORSA-N 1 3 244.448 2.446 20 0 BEADHO CC(C)[C@@H]1C[C@H](NCC[C@@H](C)[NH+](C)C)CS1 ZINC000895293727 583639562 /nfs/dbraw/zinc/63/95/62/583639562.db2.gz KPPKZNQVOXOVQW-AGIUHOORSA-N 1 3 244.448 2.446 20 0 BEADHO C[C@H](CC[NH2+]CC1CCSCC1)N(C)C ZINC000895293143 583639763 /nfs/dbraw/zinc/63/97/63/583639763.db2.gz VFZDIJIHTVEUAL-LLVKDONJSA-N 1 3 230.421 2.059 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@H](CCF)C2)CC1 ZINC000895384268 583662911 /nfs/dbraw/zinc/66/29/11/583662911.db2.gz VIBHAVKVSDCIHX-CYBMUJFWSA-N 1 3 242.382 2.400 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@H](CCF)C2)CC1 ZINC000895384268 583662913 /nfs/dbraw/zinc/66/29/13/583662913.db2.gz VIBHAVKVSDCIHX-CYBMUJFWSA-N 1 3 242.382 2.400 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCC2(CCC2)O1 ZINC000883429737 583808493 /nfs/dbraw/zinc/80/84/93/583808493.db2.gz CPOCJVUHIWFPHC-NWDGAFQWSA-N 1 3 240.391 2.051 20 0 BEADHO COCC(C)(C)CN(C)CC(C)(C)C[NH+](C)C ZINC000898308170 584109440 /nfs/dbraw/zinc/10/94/40/584109440.db2.gz QSAAPCKYGXLMKL-UHFFFAOYSA-N 1 3 244.423 2.179 20 0 BEADHO CN(CC(C)(C)C[NH+](C)C)CC1(C)CC1 ZINC000898308082 584109733 /nfs/dbraw/zinc/10/97/33/584109733.db2.gz NGFDNFGENRLQQT-UHFFFAOYSA-N 1 3 212.381 2.306 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000873282307 584129027 /nfs/dbraw/zinc/12/90/27/584129027.db2.gz SYOMZMQSLIKMDE-MELADBBJSA-N 1 3 222.376 2.450 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000902321098 584552098 /nfs/dbraw/zinc/55/20/98/584552098.db2.gz ULUTUBUSDKNELB-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NCCC(F)(F)F)C1 ZINC000902345185 584558360 /nfs/dbraw/zinc/55/83/60/584558360.db2.gz AQBWZRJPEPGAOO-VIFPVBQESA-N 1 3 238.297 2.307 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCC=CO2)C1 ZINC000902376019 584567828 /nfs/dbraw/zinc/56/78/28/584567828.db2.gz GNCWGDSTFGSEAY-QWHCGFSZSA-N 1 3 238.375 2.047 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccco2)C1 ZINC000902359894 584571207 /nfs/dbraw/zinc/57/12/07/584571207.db2.gz HZHHLKAZVPBPCP-GFCCVEGCSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902381990 584577031 /nfs/dbraw/zinc/57/70/31/584577031.db2.gz AMTDXZFJQZDFCU-UTUOFQBUSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381990 584577032 /nfs/dbraw/zinc/57/70/32/584577032.db2.gz AMTDXZFJQZDFCU-UTUOFQBUSA-N 1 3 242.432 2.106 20 0 BEADHO CCSCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902383772 584577232 /nfs/dbraw/zinc/57/72/32/584577232.db2.gz DUNSBLKOYVWUFE-LBPRGKRZSA-N 1 3 244.448 2.497 20 0 BEADHO CCSCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902383771 584577430 /nfs/dbraw/zinc/57/74/30/584577430.db2.gz DUNSBLKOYVWUFE-GFCCVEGCSA-N 1 3 244.448 2.497 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CCCCF)C1 ZINC000902386874 584578958 /nfs/dbraw/zinc/57/89/58/584578958.db2.gz HFMJPVSIPLCDTD-LLVKDONJSA-N 1 3 216.344 2.104 20 0 BEADHO CC/C=C\CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387427 584579513 /nfs/dbraw/zinc/57/95/13/584579513.db2.gz KSKOEYCUFALQLT-FJOGCWAESA-N 1 3 210.365 2.320 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000902387718 584579763 /nfs/dbraw/zinc/57/97/63/584579763.db2.gz LIJTWTQCNXAFEO-LLVKDONJSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@H](F)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902389130 584580637 /nfs/dbraw/zinc/58/06/37/584580637.db2.gz SDFJNGFAGQXRNM-QWRGUYRKSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@H](F)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389130 584580638 /nfs/dbraw/zinc/58/06/38/584580638.db2.gz SDFJNGFAGQXRNM-QWRGUYRKSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@@H](F)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902389127 584580732 /nfs/dbraw/zinc/58/07/32/584580732.db2.gz SDFJNGFAGQXRNM-GHMZBOCLSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@@H](F)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389127 584580733 /nfs/dbraw/zinc/58/07/33/584580733.db2.gz SDFJNGFAGQXRNM-GHMZBOCLSA-N 1 3 216.344 2.102 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccoc2)C1 ZINC000902401033 584587695 /nfs/dbraw/zinc/58/76/95/584587695.db2.gz ZUVAUBHRXONKRO-CYBMUJFWSA-N 1 3 236.359 2.190 20 0 BEADHO Cc1ccccc1C[C@H](C)NCC1([NH3+])CC1 ZINC000902415309 584589376 /nfs/dbraw/zinc/58/93/76/584589376.db2.gz DEMKFIJHRUXLJL-LBPRGKRZSA-N 1 3 218.344 2.007 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000902434566 584595943 /nfs/dbraw/zinc/59/59/43/584595943.db2.gz XMYMKLHKIJANFU-VXGBXAGGSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCNC1(C)C)C1CC1 ZINC000902433971 584596218 /nfs/dbraw/zinc/59/62/18/584596218.db2.gz WNHYSIMKTVOZIQ-LLVKDONJSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000902440835 584597094 /nfs/dbraw/zinc/59/70/94/584597094.db2.gz ARSOZOOVUFRAOL-AVGNSLFASA-N 1 3 242.382 2.492 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CNCC1(C)C)C1CCC1 ZINC000902441925 584597807 /nfs/dbraw/zinc/59/78/07/584597807.db2.gz FWXUMRREWAROEF-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902440904 584597856 /nfs/dbraw/zinc/59/78/56/584597856.db2.gz BEOYVNGAYPWNPJ-MNOVXSKESA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902444143 584598100 /nfs/dbraw/zinc/59/81/00/584598100.db2.gz MRBBCGGXUQAUJK-TUAOUCFPSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902444137 584598157 /nfs/dbraw/zinc/59/81/57/584598157.db2.gz MRBBCGGXUQAUJK-SDDRHHMPSA-N 1 3 210.365 2.009 20 0 BEADHO CC1(C)CC[C@@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902443924 584598284 /nfs/dbraw/zinc/59/82/84/584598284.db2.gz MOMUUDFVONAMHK-MNOVXSKESA-N 1 3 210.365 2.153 20 0 BEADHO CCCCO[C@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000902414722 584600650 /nfs/dbraw/zinc/60/06/50/584600650.db2.gz ZVJOLKHVUSRMCT-NEPJUHHUSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902474182 584602281 /nfs/dbraw/zinc/60/22/81/584602281.db2.gz DDDNIQGDZHASSN-DMRZNYOFSA-N 1 3 244.382 2.409 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CNCC1(C)C)C1CC1 ZINC000902450509 584606608 /nfs/dbraw/zinc/60/66/08/584606608.db2.gz SSWIOJVZMAXVNK-NEPJUHHUSA-N 1 3 210.365 2.009 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)C1 ZINC000902455433 584609359 /nfs/dbraw/zinc/60/93/59/584609359.db2.gz LZZUHZBATFXQKN-NAWOPXAZSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC=CCCC1)C1CNC1 ZINC000902454812 584609363 /nfs/dbraw/zinc/60/93/63/584609363.db2.gz IKKBDDIHQOGTPM-QWHCGFSZSA-N 1 3 222.376 2.320 20 0 BEADHO CC1(C)NCC[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902455777 584609693 /nfs/dbraw/zinc/60/96/93/584609693.db2.gz YYWDZILGKGLGOC-NEPJUHHUSA-N 1 3 222.376 2.439 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902459120 584610659 /nfs/dbraw/zinc/61/06/59/584610659.db2.gz XGRDUTMVBIHHPB-IKOXMDCHSA-N 1 3 222.376 2.282 20 0 BEADHO CC1(C)CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)O1 ZINC000902461205 584611421 /nfs/dbraw/zinc/61/14/21/584611421.db2.gz LXEHLFWVZSHEQL-YNEHKIRRSA-N 1 3 240.391 2.194 20 0 BEADHO C1CC1[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCC1 ZINC000902464802 584613118 /nfs/dbraw/zinc/61/31/18/584613118.db2.gz CXGWZVDBZQNZDB-RQJABVFESA-N 1 3 220.360 2.048 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902465967 584614304 /nfs/dbraw/zinc/61/43/04/584614304.db2.gz HZGHXAONNDTSGR-AQNFWKISSA-N 1 3 248.345 2.239 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCCCN1 ZINC000902481813 584624108 /nfs/dbraw/zinc/62/41/08/584624108.db2.gz HHSTVEZBOGITNZ-KGLIPLIRSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902487159 584625944 /nfs/dbraw/zinc/62/59/44/584625944.db2.gz KDUSVLYHLOMSLK-OBJOEFQTSA-N 1 3 233.359 2.250 20 0 BEADHO CCC[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902487162 584626071 /nfs/dbraw/zinc/62/60/71/584626071.db2.gz KDUSVLYHLOMSLK-YRGRVCCFSA-N 1 3 233.359 2.250 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2ccncc2)C2CC2)C1 ZINC000902513925 584629528 /nfs/dbraw/zinc/62/95/28/584629528.db2.gz IZDMQKKIRLXMGB-ILXRZTDVSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1ccncc1)C1CC1 ZINC000902515184 584629615 /nfs/dbraw/zinc/62/96/15/584629615.db2.gz UAJWNLUYCQKQJC-MISXGVKJSA-N 1 3 233.359 2.248 20 0 BEADHO CC1(C)C[C@@H](NC/C=C\Cl)C[C@@H]([NH3+])C1 ZINC000902517470 584630192 /nfs/dbraw/zinc/63/01/92/584630192.db2.gz HZJWOXNOWALPMO-QKMQQOOLSA-N 1 3 216.756 2.235 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC/C=C/Cl)C1 ZINC000902517467 584630278 /nfs/dbraw/zinc/63/02/78/584630278.db2.gz HZJWOXNOWALPMO-HIHHVFROSA-N 1 3 216.756 2.235 20 0 BEADHO CCNc1ccccc1C[NH2+]C[C@H](C)CN(C)C ZINC000902572410 584637014 /nfs/dbraw/zinc/63/70/14/584637014.db2.gz SYILZBZCOJYTEQ-ZDUSSCGKSA-N 1 3 249.402 2.406 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)CN(C)C ZINC000902999213 584714773 /nfs/dbraw/zinc/71/47/73/584714773.db2.gz MRAKNVWDEAUTNQ-FQUUOJAGSA-N 1 3 224.392 2.352 20 0 BEADHO CSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903058765 584722984 /nfs/dbraw/zinc/72/29/84/584722984.db2.gz SUCATJQQRAICHO-VGPLMAKISA-N 1 3 240.416 2.097 20 0 BEADHO CSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903058765 584722985 /nfs/dbraw/zinc/72/29/85/584722985.db2.gz SUCATJQQRAICHO-VGPLMAKISA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1CCC[C@@H](NC[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000903458562 584765440 /nfs/dbraw/zinc/76/54/40/584765440.db2.gz DFSJYTCDCBXGBU-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2)[C@@H]1C ZINC000903458562 584765442 /nfs/dbraw/zinc/76/54/42/584765442.db2.gz DFSJYTCDCBXGBU-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[N@@H+]1CC[C@H](NC/C=C/Cl)[C@@H]2CCC[C@H]21 ZINC000903443514 584768635 /nfs/dbraw/zinc/76/86/35/584768635.db2.gz HSZBAFZEITXKRQ-CDOOCROKSA-N 1 3 228.767 2.201 20 0 BEADHO C[N@H+]1CC[C@H](NC/C=C/Cl)[C@@H]2CCC[C@H]21 ZINC000903443514 584768637 /nfs/dbraw/zinc/76/86/37/584768637.db2.gz HSZBAFZEITXKRQ-CDOOCROKSA-N 1 3 228.767 2.201 20 0 BEADHO CN1CC[C@H]([NH2+]C/C=C/Cl)[C@@H]2CCC[C@H]21 ZINC000903443514 584768639 /nfs/dbraw/zinc/76/86/39/584768639.db2.gz HSZBAFZEITXKRQ-CDOOCROKSA-N 1 3 228.767 2.201 20 0 BEADHO C[N@@H+]1CC[C@H](NC/C=C/Cl)[C@@H]2CCC[C@@H]21 ZINC000903443517 584768654 /nfs/dbraw/zinc/76/86/54/584768654.db2.gz HSZBAFZEITXKRQ-ZILVEVEJSA-N 1 3 228.767 2.201 20 0 BEADHO C[N@H+]1CC[C@H](NC/C=C/Cl)[C@@H]2CCC[C@@H]21 ZINC000903443517 584768655 /nfs/dbraw/zinc/76/86/55/584768655.db2.gz HSZBAFZEITXKRQ-ZILVEVEJSA-N 1 3 228.767 2.201 20 0 BEADHO CN1CC[C@H]([NH2+]C/C=C/Cl)[C@@H]2CCC[C@@H]21 ZINC000903443517 584768657 /nfs/dbraw/zinc/76/86/57/584768657.db2.gz HSZBAFZEITXKRQ-ZILVEVEJSA-N 1 3 228.767 2.201 20 0 BEADHO C1=CCC(CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903481570 584777870 /nfs/dbraw/zinc/77/78/70/584777870.db2.gz GNNDMQVZEIVYNA-ZDUSSCGKSA-N 1 3 220.360 2.217 20 0 BEADHO C1=CCC(C[NH2+][C@H]2CCNC23CCCC3)C1 ZINC000903481570 584777872 /nfs/dbraw/zinc/77/78/72/584777872.db2.gz GNNDMQVZEIVYNA-ZDUSSCGKSA-N 1 3 220.360 2.217 20 0 BEADHO CC[C@H]1C[N@H+](CC2CC(C)C2)CC[C@H]1N ZINC000903747785 584794959 /nfs/dbraw/zinc/79/49/59/584794959.db2.gz XJMVTHOZTBCECH-IFWUJCSASA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CC(C)C2)CC[C@H]1N ZINC000903747785 584794961 /nfs/dbraw/zinc/79/49/61/584794961.db2.gz XJMVTHOZTBCECH-IFWUJCSASA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1CN(CC2CC(C)C2)CC[C@H]1[NH3+] ZINC000903747785 584794963 /nfs/dbraw/zinc/79/49/63/584794963.db2.gz XJMVTHOZTBCECH-IFWUJCSASA-N 1 3 210.365 2.092 20 0 BEADHO CC1(F)CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903778174 584799487 /nfs/dbraw/zinc/79/94/87/584799487.db2.gz JZWOMSIKWIEFDF-LBPRGKRZSA-N 1 3 228.355 2.200 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+]CC1CCCCC1 ZINC000903821694 584804165 /nfs/dbraw/zinc/80/41/65/584804165.db2.gz PYQJCXWDWCOKHD-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccc(CCN2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903855090 584809261 /nfs/dbraw/zinc/80/92/61/584809261.db2.gz LIFGVQFIMJWEGT-HOTGVXAUSA-N 1 3 244.382 2.351 20 0 BEADHO [NH3+]C[C@@]12CC[C@H]1CCN2CCc1ccccc1 ZINC000903859041 584810933 /nfs/dbraw/zinc/81/09/33/584810933.db2.gz ZAUBUBLPLPLYJI-GJZGRUSLSA-N 1 3 230.355 2.042 20 0 BEADHO Cc1ccc(CCCNCCC(C)(C)[NH3+])cn1 ZINC000903939001 584824859 /nfs/dbraw/zinc/82/48/59/584824859.db2.gz AVBZTURBTXCLIC-UHFFFAOYSA-N 1 3 235.375 2.040 20 0 BEADHO CCC(CC)(CC)C[NH2+][C@@H]1CNC[C@H]1C ZINC000903963586 584833470 /nfs/dbraw/zinc/83/34/70/584833470.db2.gz BLUUUCPFQYQDKC-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963607 584833476 /nfs/dbraw/zinc/83/34/76/584833476.db2.gz BZPHTLXVGIGPLH-QNWHQSFQSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000903964107 584833935 /nfs/dbraw/zinc/83/39/35/584833935.db2.gz LXPUGVWQDGQARB-NAWOPXAZSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CNC[C@H]1C ZINC000903965097 584834400 /nfs/dbraw/zinc/83/44/00/584834400.db2.gz ZZXWVKFHKNDOIS-SQWLQELKSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000903965094 584834445 /nfs/dbraw/zinc/83/44/45/584834445.db2.gz ZWNMIGZRUZIJRT-VZZFWQQMSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000903964939 584834550 /nfs/dbraw/zinc/83/45/50/584834550.db2.gz YHXJEIJDYIDYDB-NJMOYASZSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](CCc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967344 584835219 /nfs/dbraw/zinc/83/52/19/584835219.db2.gz HUJONFWOMWFCLJ-FMKPAKJESA-N 1 3 246.398 2.453 20 0 BEADHO C[C@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904313458 584863604 /nfs/dbraw/zinc/86/36/04/584863604.db2.gz UOGBKINGXFAPAY-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904313458 584863605 /nfs/dbraw/zinc/86/36/05/584863605.db2.gz UOGBKINGXFAPAY-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@](C)(CO)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904330035 584865881 /nfs/dbraw/zinc/86/58/81/584865881.db2.gz XJNUHWJVHBFKKA-GXTWGEPZSA-N 1 3 244.423 2.281 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CN[C@@H](CO)C(C)(C)C ZINC000904341509 584867177 /nfs/dbraw/zinc/86/71/77/584867177.db2.gz SXNBBEUECUTLEF-RYUDHWBXSA-N 1 3 244.423 2.137 20 0 BEADHO CC[C@@H](NC1CC(C[NH3+])C1)c1c(C)noc1C ZINC000904360835 584872150 /nfs/dbraw/zinc/87/21/50/584872150.db2.gz PVSOATDUJXZTAJ-HTAVTVPLSA-N 1 3 237.347 2.069 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN[C@H](CF)c2ccc(F)cc2)C1 ZINC000904385322 584877713 /nfs/dbraw/zinc/87/77/13/584877713.db2.gz VOLFDAFNDKLFQZ-JIMOISOXSA-N 1 3 240.297 2.163 20 0 BEADHO COc1c(C)cc(C[NH2+][C@H](C)[C@@H](C)N)cc1C ZINC000841082177 584882881 /nfs/dbraw/zinc/88/28/81/584882881.db2.gz WPRVCXHSYXAKPM-VXGBXAGGSA-N 1 3 236.359 2.137 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000817962451 584992117 /nfs/dbraw/zinc/99/21/17/584992117.db2.gz MJLITHKGROVINV-FZMZJTMJSA-N 1 3 218.344 2.167 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000769528250 585558816 /nfs/dbraw/zinc/55/88/16/585558816.db2.gz UVNQZSGLPGKCLI-RUJICJSRSA-N 1 3 246.345 2.493 20 0 BEADHO CC(C)[C@@H]([NH2+]CCCN(C)C)c1ccccn1 ZINC000775446827 585678174 /nfs/dbraw/zinc/67/81/74/585678174.db2.gz SJPLTWDMNYEUBA-CQSZACIVSA-N 1 3 235.375 2.320 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1cccs1 ZINC000300806303 585681907 /nfs/dbraw/zinc/68/19/07/585681907.db2.gz GJRCTDOCMYRRFZ-LBPRGKRZSA-N 1 3 238.400 2.268 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H]1NCCc1cccs1 ZINC000300806303 585681908 /nfs/dbraw/zinc/68/19/08/585681908.db2.gz GJRCTDOCMYRRFZ-LBPRGKRZSA-N 1 3 238.400 2.268 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782185546 585810182 /nfs/dbraw/zinc/81/01/82/585810182.db2.gz HGSNFLPSTGCFKQ-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782185546 585810183 /nfs/dbraw/zinc/81/01/83/585810183.db2.gz HGSNFLPSTGCFKQ-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C)CC2)C1 ZINC000788471715 585925437 /nfs/dbraw/zinc/92/54/37/585925437.db2.gz YVABGPKDJVUHNZ-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(C)o1 ZINC000814178434 586615902 /nfs/dbraw/zinc/61/59/02/586615902.db2.gz PSDGLFAHDQSWKB-HNNXBMFYSA-N 1 3 248.370 2.424 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(C)o1 ZINC000814178434 586615903 /nfs/dbraw/zinc/61/59/03/586615903.db2.gz PSDGLFAHDQSWKB-HNNXBMFYSA-N 1 3 248.370 2.424 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000817890483 586832131 /nfs/dbraw/zinc/83/21/31/586832131.db2.gz YOCDBMYACGGPKW-LSDHHAIUSA-N 1 3 248.370 2.443 20 0 BEADHO CCC(CC)(CN[C@@H]1C[NH2+]CC[C@@H]1C)SC ZINC000817900545 586836123 /nfs/dbraw/zinc/83/61/23/586836123.db2.gz PTIJLJWLEVHQFO-NWDGAFQWSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817961994 586853465 /nfs/dbraw/zinc/85/34/65/586853465.db2.gz GBDSOPBGXLQTGQ-UWVGGRQHSA-N 1 3 218.410 2.091 20 0 BEADHO C[C@@H](CSC(C)(C)C)NC[C@H]([NH3+])C1CC1 ZINC000817965646 586855294 /nfs/dbraw/zinc/85/52/94/586855294.db2.gz SRDMAZXFGHCDJB-ONGXEEELSA-N 1 3 230.421 2.234 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CC1(Cl)Cl ZINC000817937603 586844306 /nfs/dbraw/zinc/84/43/06/586844306.db2.gz SRHIGGCGZODMHT-XHNCKOQMSA-N 1 3 239.190 2.286 20 0 BEADHO C[C@@H](CSC(C)(C)C)NC[C@H]1CCC[NH2+]C1 ZINC000817945541 586846124 /nfs/dbraw/zinc/84/61/24/586846124.db2.gz FWYQBJNSKOGRQD-RYUDHWBXSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000817945541 586846127 /nfs/dbraw/zinc/84/61/27/586846127.db2.gz FWYQBJNSKOGRQD-RYUDHWBXSA-N 1 3 244.448 2.496 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000817950694 586847524 /nfs/dbraw/zinc/84/75/24/586847524.db2.gz XGBYMRYTYFGEFG-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000817950691 586847687 /nfs/dbraw/zinc/84/76/87/586847687.db2.gz XGBYMRYTYFGEFG-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CSC(C)(C)C)N[C@H](C[NH3+])C1CC1 ZINC000817959564 586851273 /nfs/dbraw/zinc/85/12/73/586851273.db2.gz GZZUJWJXEFIZLN-GXSJLCMTSA-N 1 3 230.421 2.234 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](C)CN ZINC000817961995 586852330 /nfs/dbraw/zinc/85/23/30/586852330.db2.gz GBDSOPBGXLQTGQ-VHSXEESVSA-N 1 3 218.410 2.091 20 0 BEADHO C[C@H](CSC(C)(C)C)NC[C@@H](C)C[NH3+] ZINC000817961995 586852333 /nfs/dbraw/zinc/85/23/33/586852333.db2.gz GBDSOPBGXLQTGQ-VHSXEESVSA-N 1 3 218.410 2.091 20 0 BEADHO Cc1cc(F)ccc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000817961616 586852498 /nfs/dbraw/zinc/85/24/98/586852498.db2.gz AZMVEYLYAZMDDD-GXSJLCMTSA-N 1 3 224.323 2.380 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000817961994 586853464 /nfs/dbraw/zinc/85/34/64/586853464.db2.gz GBDSOPBGXLQTGQ-UWVGGRQHSA-N 1 3 218.410 2.091 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000817961996 586853424 /nfs/dbraw/zinc/85/34/24/586853424.db2.gz GBDSOPBGXLQTGQ-ZJUUUORDSA-N 1 3 218.410 2.091 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817961996 586853425 /nfs/dbraw/zinc/85/34/25/586853425.db2.gz GBDSOPBGXLQTGQ-ZJUUUORDSA-N 1 3 218.410 2.091 20 0 BEADHO CCCNCC[NH2+][C@H](C)CSC(C)(C)C ZINC000817963979 586853830 /nfs/dbraw/zinc/85/38/30/586853830.db2.gz ZTMIWSYKWJZFFZ-LLVKDONJSA-N 1 3 232.437 2.496 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+]C[C@H](C)N)c1 ZINC000817972165 586859051 /nfs/dbraw/zinc/85/90/51/586859051.db2.gz UQKZXDFZBOSAMF-QWRGUYRKSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817977452 586861490 /nfs/dbraw/zinc/86/14/90/586861490.db2.gz KLQIUCFDJYZBMP-VWYCJHECSA-N 1 3 234.343 2.008 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817977451 586862049 /nfs/dbraw/zinc/86/20/49/586862049.db2.gz KLQIUCFDJYZBMP-MXWKQRLJSA-N 1 3 234.343 2.008 20 0 BEADHO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817984813 586862785 /nfs/dbraw/zinc/86/27/85/586862785.db2.gz AIYODOFAJSOFAU-RDBSUJKOSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817984812 586862811 /nfs/dbraw/zinc/86/28/11/586862811.db2.gz AIYODOFAJSOFAU-MGPQQGTHSA-N 1 3 234.387 2.439 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841073509 587943902 /nfs/dbraw/zinc/94/39/02/587943902.db2.gz YCOOHSQLSKRSOR-CYBMUJFWSA-N 1 3 248.370 2.227 20 0 BEADHO Cc1cc([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)no1 ZINC000842471443 588029273 /nfs/dbraw/zinc/02/92/73/588029273.db2.gz BJRKOSCIOVSKER-OCCSQVGLSA-N 1 3 249.358 2.120 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1cncs1 ZINC000843340360 588101133 /nfs/dbraw/zinc/10/11/33/588101133.db2.gz BMFXJLWITBFXJW-JTQLQIEISA-N 1 3 227.377 2.313 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000843358335 588103622 /nfs/dbraw/zinc/10/36/22/588103622.db2.gz KYGNBVCLBFKWFG-XJKSGUPXSA-N 1 3 244.382 2.085 20 0 BEADHO CC(C)CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000843359723 588104269 /nfs/dbraw/zinc/10/42/69/588104269.db2.gz WXGMGFMJXDHKDY-CQSZACIVSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000845996033 588252791 /nfs/dbraw/zinc/25/27/91/588252791.db2.gz JJVZFLAZDWOLPL-AWEZNQCLSA-N 1 3 240.391 2.247 20 0 BEADHO NCCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863557766 589298938 /nfs/dbraw/zinc/29/89/38/589298938.db2.gz QYPUDEASDMDTRE-SOUVJXGZSA-N 1 3 230.355 2.071 20 0 BEADHO NCCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863557766 589298940 /nfs/dbraw/zinc/29/89/40/589298940.db2.gz QYPUDEASDMDTRE-SOUVJXGZSA-N 1 3 230.355 2.071 20 0 BEADHO CCc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206197 589480226 /nfs/dbraw/zinc/48/02/26/589480226.db2.gz BYVAPYLYPSMFKE-SWLSCSKDSA-N 1 3 245.370 2.174 20 0 BEADHO CCc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccn1 ZINC000866206197 589480227 /nfs/dbraw/zinc/48/02/27/589480227.db2.gz BYVAPYLYPSMFKE-SWLSCSKDSA-N 1 3 245.370 2.174 20 0 BEADHO CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000866583366 589501843 /nfs/dbraw/zinc/50/18/43/589501843.db2.gz KFYMCSRHPGKGIP-XQQFMLRXSA-N 1 3 210.365 2.201 20 0 BEADHO CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000866583366 589501845 /nfs/dbraw/zinc/50/18/45/589501845.db2.gz KFYMCSRHPGKGIP-XQQFMLRXSA-N 1 3 210.365 2.201 20 0 BEADHO CC[C@@H]([NH2+]CCOCCN(C)C)C(C)(C)CC ZINC000872064836 589863464 /nfs/dbraw/zinc/86/34/64/589863464.db2.gz MWLPLQFARCIHGF-CYBMUJFWSA-N 1 3 244.423 2.369 20 0 BEADHO CC(C)(N)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872257567 589901065 /nfs/dbraw/zinc/90/10/65/589901065.db2.gz TVIQUBNDECWVCI-ZDUSSCGKSA-N 1 3 240.391 2.147 20 0 BEADHO CC(C)(N)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872257567 589901067 /nfs/dbraw/zinc/90/10/67/589901067.db2.gz TVIQUBNDECWVCI-ZDUSSCGKSA-N 1 3 240.391 2.147 20 0 BEADHO CC(C)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000872254319 589901384 /nfs/dbraw/zinc/90/13/84/589901384.db2.gz ZLNCBQMLFNHJBH-LBPRGKRZSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CN(c2cc[nH+]cc2C2CC2)C[C@H](C)N1C ZINC000872554026 589949578 /nfs/dbraw/zinc/94/95/78/589949578.db2.gz GLVJPLDKELEAPP-TXEJJXNPSA-N 1 3 245.370 2.488 20 0 BEADHO Cn1ccc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223924 590000537 /nfs/dbraw/zinc/00/05/37/590000537.db2.gz UUWGTQXMCJSUGW-OAHLLOKOSA-N 1 3 249.402 2.222 20 0 BEADHO Cn1ccc(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)c1 ZINC000873223924 590000540 /nfs/dbraw/zinc/00/05/40/590000540.db2.gz UUWGTQXMCJSUGW-OAHLLOKOSA-N 1 3 249.402 2.222 20 0 BEADHO Cn1ccc(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)c1 ZINC000873223924 590000543 /nfs/dbraw/zinc/00/05/43/590000543.db2.gz UUWGTQXMCJSUGW-OAHLLOKOSA-N 1 3 249.402 2.222 20 0 BEADHO CCC(CC)C[NH2+][C@@]12CCC[C@H]1NCC2 ZINC000873229810 590001925 /nfs/dbraw/zinc/00/19/25/590001925.db2.gz GJORUKXVMMZFSP-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO C([NH2+][C@]12CCC[C@@H]1NCC2)C1CCCCC1 ZINC000873229644 590002292 /nfs/dbraw/zinc/00/22/92/590002292.db2.gz DGGWYXYZDJWCDC-KBPBESRZSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236016 590003818 /nfs/dbraw/zinc/00/38/18/590003818.db2.gz VVGDQBFJZVXLSO-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000873235972 590004692 /nfs/dbraw/zinc/00/46/92/590004692.db2.gz SBSDUSMOFMYDFZ-FRRDWIJNSA-N 1 3 242.432 2.107 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000873243265 590006616 /nfs/dbraw/zinc/00/66/16/590006616.db2.gz KIRLUYYXGUDBRZ-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO CCc1ccc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000873253536 590009472 /nfs/dbraw/zinc/00/94/72/590009472.db2.gz ADLCRZGNMRKGGS-MXWKQRLJSA-N 1 3 222.332 2.230 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873257059 590011824 /nfs/dbraw/zinc/01/18/24/590011824.db2.gz DTKURWLVYMBUGN-QXEWZRGKSA-N 1 3 240.297 2.353 20 0 BEADHO Cc1cc([C@@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000873260494 590013669 /nfs/dbraw/zinc/01/36/69/590013669.db2.gz BRXGQXQIWCYWLU-FVCCEPFGSA-N 1 3 249.358 2.164 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NC1CC(Nc2ccccc2)C1 ZINC000873295323 590024038 /nfs/dbraw/zinc/02/40/38/590024038.db2.gz FRYUMYSBLRYALE-PFSRBDOWSA-N 1 3 245.370 2.099 20 0 BEADHO CC(C)C1(CN2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000877738844 590407132 /nfs/dbraw/zinc/40/71/32/590407132.db2.gz MOAAABAGEOMOJB-KGLIPLIRSA-N 1 3 236.403 2.449 20 0 BEADHO CC(C)C1(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000877738844 590407129 /nfs/dbraw/zinc/40/71/29/590407129.db2.gz MOAAABAGEOMOJB-KGLIPLIRSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741289 590409313 /nfs/dbraw/zinc/40/93/13/590409313.db2.gz AKBLAFNJTIXEBA-LSDHHAIUSA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741289 590409314 /nfs/dbraw/zinc/40/93/14/590409314.db2.gz AKBLAFNJTIXEBA-LSDHHAIUSA-N 1 3 230.355 2.213 20 0 BEADHO C=C/C=C\CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000878190095 590520332 /nfs/dbraw/zinc/52/03/32/590520332.db2.gz DFPLFVWUQKSYLS-ARJAWSKDSA-N 1 3 243.354 2.336 20 0 BEADHO Cc1ccccc1OCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000127210304 590593797 /nfs/dbraw/zinc/59/37/97/590593797.db2.gz NFOWNJQPUDWWPD-KGLIPLIRSA-N 1 3 248.370 2.043 20 0 BEADHO CCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879574351 590812610 /nfs/dbraw/zinc/81/26/10/590812610.db2.gz ZSYTXABKIQGRQV-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879574351 590812612 /nfs/dbraw/zinc/81/26/12/590812612.db2.gz ZSYTXABKIQGRQV-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)SCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140830 590941261 /nfs/dbraw/zinc/94/12/61/590941261.db2.gz DGDBZRCPQWJYSK-QWHCGFSZSA-N 1 3 242.432 2.297 20 0 BEADHO CC(C)SCCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140830 590941265 /nfs/dbraw/zinc/94/12/65/590941265.db2.gz DGDBZRCPQWJYSK-QWHCGFSZSA-N 1 3 242.432 2.297 20 0 BEADHO CN1CCCC[C@H]1CC[NH+]1CCC(F)CC1 ZINC000880242482 590975842 /nfs/dbraw/zinc/97/58/42/590975842.db2.gz AUBZGOKOUBFUKS-ZDUSSCGKSA-N 1 3 228.355 2.295 20 0 BEADHO CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258895 590979384 /nfs/dbraw/zinc/97/93/84/590979384.db2.gz DTDKOFKGIJKAIV-CHWSQXEVSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@@H](C)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258895 590979386 /nfs/dbraw/zinc/97/93/86/590979386.db2.gz DTDKOFKGIJKAIV-CHWSQXEVSA-N 1 3 233.359 2.391 20 0 BEADHO C[C@@H]1C[N@H+](CCC2CC2)CCN1c1ccncc1 ZINC000880260684 590980483 /nfs/dbraw/zinc/98/04/83/590980483.db2.gz RESHBHAEZDDIAW-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1C[N@@H+](CCC2CC2)CCN1c1ccncc1 ZINC000880260684 590980487 /nfs/dbraw/zinc/98/04/87/590980487.db2.gz RESHBHAEZDDIAW-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000128895317 591176311 /nfs/dbraw/zinc/17/63/11/591176311.db2.gz NAURYGMRUPFCLB-HIFRSBDPSA-N 1 3 230.355 2.406 20 0 BEADHO Cl/C=C\CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000214377260 591554110 /nfs/dbraw/zinc/55/41/10/591554110.db2.gz IFEJWLIIBVHAGW-DWMUBGRBSA-N 1 3 228.767 2.203 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCCC(C)(C)O1 ZINC000883430427 591652581 /nfs/dbraw/zinc/65/25/81/591652581.db2.gz VEVRHXQGZUIWJW-RYUDHWBXSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@](C[NH3+])(NC[C@H]1CCCC(C)(C)O1)C1CC1 ZINC000883418360 591654390 /nfs/dbraw/zinc/65/43/90/591654390.db2.gz FXHUPZLSVOKWHO-OCCSQVGLSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1C[C@H](N)C[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438485 591659854 /nfs/dbraw/zinc/65/98/54/591659854.db2.gz UIVHTCINBGANIO-VWYCJHECSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H]1C[C@H](N)C[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000883438485 591659857 /nfs/dbraw/zinc/65/98/57/591659857.db2.gz UIVHTCINBGANIO-VWYCJHECSA-N 1 3 232.318 2.233 20 0 BEADHO CN(CC[C@H]1CCCC1(F)F)C1CC([NH3+])C1 ZINC000883429156 591661014 /nfs/dbraw/zinc/66/10/14/591661014.db2.gz NDBGVGFEITVNKA-KPPDAEKUSA-N 1 3 232.318 2.233 20 0 BEADHO C[N@H+](CC[C@H]1CCCC1(F)F)C1CC(N)C1 ZINC000883429156 591661016 /nfs/dbraw/zinc/66/10/16/591661016.db2.gz NDBGVGFEITVNKA-KPPDAEKUSA-N 1 3 232.318 2.233 20 0 BEADHO C[N@@H+](CC[C@H]1CCCC1(F)F)C1CC(N)C1 ZINC000883429156 591661017 /nfs/dbraw/zinc/66/10/17/591661017.db2.gz NDBGVGFEITVNKA-KPPDAEKUSA-N 1 3 232.318 2.233 20 0 BEADHO C=C/C=C/CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883429911 591661733 /nfs/dbraw/zinc/66/17/33/591661733.db2.gz HZRJEFBBPYKIBK-XGACYXMMSA-N 1 3 220.360 2.194 20 0 BEADHO C[C@@H]1C[C@H](N)C[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883438483 591667679 /nfs/dbraw/zinc/66/76/79/591667679.db2.gz UIVHTCINBGANIO-MXWKQRLJSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H]1C[C@H](N)C[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883438483 591667680 /nfs/dbraw/zinc/66/76/80/591667680.db2.gz UIVHTCINBGANIO-MXWKQRLJSA-N 1 3 232.318 2.233 20 0 BEADHO Cc1ccc(OCC[NH2+][C@H]2C[C@@H](N)C2(C)C)cc1 ZINC000883442070 591669559 /nfs/dbraw/zinc/66/95/59/591669559.db2.gz DKGDNWPDNJEPRN-KGLIPLIRSA-N 1 3 248.370 2.089 20 0 BEADHO CCC[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886709440 592308225 /nfs/dbraw/zinc/30/82/25/592308225.db2.gz QSEGRZQLRIJSKD-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840149 592360062 /nfs/dbraw/zinc/36/00/62/592360062.db2.gz USGDZIHKHJGHSW-OWCLPIDISA-N 1 3 248.414 2.498 20 0 BEADHO C[C@@H]1CC[N@H+](CCCN)[C@@H]1c1ccccc1 ZINC000886857792 592369686 /nfs/dbraw/zinc/36/96/86/592369686.db2.gz ADBFLKNMYIMBQP-OCCSQVGLSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCN)[C@@H]1c1ccccc1 ZINC000886857792 592369690 /nfs/dbraw/zinc/36/96/90/592369690.db2.gz ADBFLKNMYIMBQP-OCCSQVGLSA-N 1 3 218.344 2.418 20 0 BEADHO CC[C@@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134912 592449109 /nfs/dbraw/zinc/44/91/09/592449109.db2.gz SGHDYNFTKFLCNZ-OLZOCXBDSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887134912 592449103 /nfs/dbraw/zinc/44/91/03/592449103.db2.gz SGHDYNFTKFLCNZ-OLZOCXBDSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887134912 592449107 /nfs/dbraw/zinc/44/91/07/592449107.db2.gz SGHDYNFTKFLCNZ-OLZOCXBDSA-N 1 3 233.359 2.391 20 0 BEADHO CC(C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131183 592450011 /nfs/dbraw/zinc/45/00/11/592450011.db2.gz SCQXCLSYZFLMOY-LBPRGKRZSA-N 1 3 219.332 2.001 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCNC23CCC3)CC1(F)F ZINC000925709005 634404023 /nfs/dbraw/zinc/40/40/23/634404023.db2.gz NFABHHGITHXFHG-MNOVXSKESA-N 1 3 244.329 2.296 20 0 BEADHO C[C@@]1(CC[NH2+][C@@H]2CCNC23CCC3)CC1(F)F ZINC000925709004 634405267 /nfs/dbraw/zinc/40/52/67/634405267.db2.gz NFABHHGITHXFHG-GHMZBOCLSA-N 1 3 244.329 2.296 20 0 BEADHO [NH3+]CC[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000125552616 634541687 /nfs/dbraw/zinc/54/16/87/634541687.db2.gz KGTSSJOJBNDCKF-JTQLQIEISA-N 1 3 240.297 2.136 20 0 BEADHO CCOc1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000258813247 635206335 /nfs/dbraw/zinc/20/63/35/635206335.db2.gz DTTBWTBIGLQDBV-UHFFFAOYSA-N 1 3 236.359 2.302 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000925823009 635407155 /nfs/dbraw/zinc/40/71/55/635407155.db2.gz NNEVJDBMQBXZNT-IZMFDJJNSA-N 1 3 222.376 2.138 20 0 BEADHO C[C@@H](N[C@H]1CCS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000925861585 635555563 /nfs/dbraw/zinc/55/55/63/635555563.db2.gz QJQXRVLDKSDYJN-FVCCEPFGSA-N 1 3 242.432 2.391 20 0 BEADHO CCN1CC[C@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000309372360 632024486 /nfs/dbraw/zinc/02/44/86/632024486.db2.gz PPCMUMIGCRFXDA-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000052046947 632056084 /nfs/dbraw/zinc/05/60/84/632056084.db2.gz BSBXNJPPUNTWFM-CYBMUJFWSA-N 1 3 246.358 2.107 20 0 BEADHO C[C@@H]1C[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252971247 632565384 /nfs/dbraw/zinc/56/53/84/632565384.db2.gz XTFLNGUQWDDFDI-JYILRKAJSA-N 1 3 216.328 2.377 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccc1 ZINC000924541537 632790287 /nfs/dbraw/zinc/79/02/87/632790287.db2.gz CRIXWTKCQAUATO-XYPWUTKMSA-N 1 3 244.382 2.159 20 0 BEADHO CCC(CC)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328471686 633768134 /nfs/dbraw/zinc/76/81/34/633768134.db2.gz ADXJWOYQMHSVQI-QSLWVIQJSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H](C)C1 ZINC000328469810 633768869 /nfs/dbraw/zinc/76/88/69/633768869.db2.gz ZAWTWYUMUKVEOY-VSPOPZGASA-N 1 3 248.414 2.397 20 0 BEADHO CCC[C@H](CC)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328522010 633770393 /nfs/dbraw/zinc/77/03/93/633770393.db2.gz HLFORLNECHWHLP-SNIKSBKOSA-N 1 3 222.376 2.151 20 0 BEADHO C[C@@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCC1 ZINC000328549085 633774406 /nfs/dbraw/zinc/77/44/06/633774406.db2.gz QSSOWMZTGZBOHQ-PCTWNACOSA-N 1 3 234.387 2.151 20 0 BEADHO CC1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCC1 ZINC000328573050 633778602 /nfs/dbraw/zinc/77/86/02/633778602.db2.gz VJNJXWIRCXEVJZ-YHQUGGNUSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H](C)C1 ZINC000328576958 633779231 /nfs/dbraw/zinc/77/92/31/633779231.db2.gz ZSFZWHFUHQUNMY-FVEFAZKQSA-N 1 3 248.414 2.397 20 0 BEADHO CSCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925503050 633826681 /nfs/dbraw/zinc/82/66/81/633826681.db2.gz JQRCWPWUZHGURF-NSHDSACASA-N 1 3 228.405 2.004 20 0 BEADHO CC(C)CN1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000053655368 634283117 /nfs/dbraw/zinc/28/31/17/634283117.db2.gz BBEMWUVCCKVSRN-ZDUSSCGKSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH+]1C[C@]2(C)CN(CC3=CCCC3)C[C@@]2(C)C1 ZINC000931318198 634336924 /nfs/dbraw/zinc/33/69/24/634336924.db2.gz SKECLPCYJSUJMG-HUUCEWRRSA-N 1 3 234.387 2.370 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925772525 635213428 /nfs/dbraw/zinc/21/34/28/635213428.db2.gz IKFQXXZRABMWBB-RGDJUOJXSA-N 1 3 234.387 2.153 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925772839 635218193 /nfs/dbraw/zinc/21/81/93/635218193.db2.gz KFSMWIXIYBTZAC-QZOBBIQNSA-N 1 3 236.403 2.399 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000094522064 635371227 /nfs/dbraw/zinc/37/12/27/635371227.db2.gz HQOYIMIWLOXQBC-ZDUSSCGKSA-N 1 3 230.355 2.345 20 0 BEADHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)c(C)o1 ZINC000897621844 636827713 /nfs/dbraw/zinc/82/77/13/636827713.db2.gz WJYDEDQEKOMPSI-CABCVRRESA-N 1 3 248.370 2.280 20 0 BEADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)c(C)o1 ZINC000897621844 636827715 /nfs/dbraw/zinc/82/77/15/636827715.db2.gz WJYDEDQEKOMPSI-CABCVRRESA-N 1 3 248.370 2.280 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1 ZINC000089139598 636904634 /nfs/dbraw/zinc/90/46/34/636904634.db2.gz YXLYJNRXNWEPQH-OCCSQVGLSA-N 1 3 236.334 2.433 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000089147129 636904648 /nfs/dbraw/zinc/90/46/48/636904648.db2.gz NOBBYMZAKNGVTO-TZMCWYRMSA-N 1 3 236.334 2.085 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000089147132 636904917 /nfs/dbraw/zinc/90/49/17/636904917.db2.gz NOBBYMZAKNGVTO-GXTWGEPZSA-N 1 3 236.334 2.085 20 0 BEADHO CCN(CC)CCC[NH2+]CC(C)(C)C ZINC000041051120 636955966 /nfs/dbraw/zinc/95/59/66/636955966.db2.gz BGTRKLRYMRQYLF-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO NC1CC([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000906511069 638183178 /nfs/dbraw/zinc/18/31/78/638183178.db2.gz RTHCOXLWLZVHKK-UIDBIOKJSA-N 1 3 244.382 2.477 20 0 BEADHO CC1(C)CCC(C[NH2+][C@H]2C[C@H](N)C2)CC1 ZINC000906516657 638186145 /nfs/dbraw/zinc/18/61/45/638186145.db2.gz GDQIEGNTPLYURA-HAQNSBGRSA-N 1 3 210.365 2.282 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000906518848 638187087 /nfs/dbraw/zinc/18/70/87/638187087.db2.gz RXLCUPLHFBJNFI-JOCQHMNTSA-N 1 3 210.365 2.426 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000906518844 638188002 /nfs/dbraw/zinc/18/80/02/638188002.db2.gz RTHCOXLWLZVHKK-LVQVYYBASA-N 1 3 244.382 2.477 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000930805016 639910377 /nfs/dbraw/zinc/91/03/77/639910377.db2.gz NLQPZCOVEQODIT-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000930805016 639910378 /nfs/dbraw/zinc/91/03/78/639910378.db2.gz NLQPZCOVEQODIT-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[N@@H+]1C[C@@]2(C)CN(CCCCF)C[C@@]2(C)C1 ZINC000931314352 640153030 /nfs/dbraw/zinc/15/30/30/640153030.db2.gz MNIQBESPNFNZCJ-BETUJISGSA-N 1 3 228.355 2.010 20 0 BEADHO C[N@H+]1C[C@@]2(C)CN(CCCCF)C[C@@]2(C)C1 ZINC000931314352 640153036 /nfs/dbraw/zinc/15/30/36/640153036.db2.gz MNIQBESPNFNZCJ-BETUJISGSA-N 1 3 228.355 2.010 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000165423698 640575842 /nfs/dbraw/zinc/57/58/42/640575842.db2.gz ROIGIPYHLYMMKM-QWHCGFSZSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000166811880 640679863 /nfs/dbraw/zinc/67/98/63/640679863.db2.gz XTFLNGUQWDDFDI-XYHOJCAOSA-N 1 3 216.328 2.377 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227056380 640814387 /nfs/dbraw/zinc/81/43/87/640814387.db2.gz ZMRSGTGXXAFISQ-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CCCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228986611 640909935 /nfs/dbraw/zinc/90/99/35/640909935.db2.gz JHSGXEFDUZQBCQ-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CCCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228986611 640909936 /nfs/dbraw/zinc/90/99/36/640909936.db2.gz JHSGXEFDUZQBCQ-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H](CC[NH2+]C1CC(N)C1)c1ccccc1 ZINC000087651913 640957285 /nfs/dbraw/zinc/95/72/85/640957285.db2.gz ALQBRKYXOMTMNY-LMWSTFAQSA-N 1 3 218.344 2.260 20 0 BEADHO C[C@H](CCNC1CC([NH3+])C1)c1ccccc1 ZINC000087651913 640957287 /nfs/dbraw/zinc/95/72/87/640957287.db2.gz ALQBRKYXOMTMNY-LMWSTFAQSA-N 1 3 218.344 2.260 20 0 BEADHO CC[C@@H](C)C[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062861975 641099522 /nfs/dbraw/zinc/09/95/22/641099522.db2.gz QHCBIGODYLZGAA-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H](C)C[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062861975 641099526 /nfs/dbraw/zinc/09/95/26/641099526.db2.gz QHCBIGODYLZGAA-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@@H](C)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862077 641101066 /nfs/dbraw/zinc/10/10/66/641101066.db2.gz LUXODJLMFNOTAY-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862077 641101069 /nfs/dbraw/zinc/10/10/69/641101069.db2.gz LUXODJLMFNOTAY-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000062862167 641101852 /nfs/dbraw/zinc/10/18/52/641101852.db2.gz DFFDOAQXEMRDRC-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000062862167 641101857 /nfs/dbraw/zinc/10/18/57/641101857.db2.gz DFFDOAQXEMRDRC-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO Cl/C=C/CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200095 641146154 /nfs/dbraw/zinc/14/61/54/641146154.db2.gz IFEJWLIIBVHAGW-QSLRECBCSA-N 1 3 228.767 2.203 20 0 BEADHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089139323 641464410 /nfs/dbraw/zinc/46/44/10/641464410.db2.gz QWIFDXBIIXHNKU-DZGCQCFKSA-N 1 3 248.370 2.302 20 0 BEADHO COc1cccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149920 641477159 /nfs/dbraw/zinc/47/71/59/641477159.db2.gz ADQABIYVQWQTQO-NJZAAPMLSA-N 1 3 248.370 2.473 20 0 BEADHO CCC(=O)CC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000190256538 641854695 /nfs/dbraw/zinc/85/46/95/641854695.db2.gz YQUDDPZHCPAKTH-CYBMUJFWSA-N 1 3 240.391 2.019 20 0 BEADHO CCC(=O)CC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000190256538 641854698 /nfs/dbraw/zinc/85/46/98/641854698.db2.gz YQUDDPZHCPAKTH-CYBMUJFWSA-N 1 3 240.391 2.019 20 0 BEADHO CCC(C)(C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000232900567 642220072 /nfs/dbraw/zinc/22/00/72/642220072.db2.gz FLHPKQCMIPVEEQ-CYBMUJFWSA-N 1 3 212.381 2.402 20 0 BEADHO [NH3+]CC[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000097918782 643214200 /nfs/dbraw/zinc/21/42/00/643214200.db2.gz IOZDSSHQKFRSNE-JTQLQIEISA-N 1 3 240.297 2.136 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccoc2)CCN1C ZINC000093644821 643339306 /nfs/dbraw/zinc/33/93/06/643339306.db2.gz HPWGCJQESPUINC-YPMHNXCESA-N 1 3 222.332 2.194 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccoc2)CCN1C ZINC000093644821 643339310 /nfs/dbraw/zinc/33/93/10/643339310.db2.gz HPWGCJQESPUINC-YPMHNXCESA-N 1 3 222.332 2.194 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000234150779 643533035 /nfs/dbraw/zinc/53/30/35/643533035.db2.gz GSTXXYZVEPBRLU-RISCZKNCSA-N 1 3 218.344 2.028 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000234150779 643533034 /nfs/dbraw/zinc/53/30/34/643533034.db2.gz GSTXXYZVEPBRLU-RISCZKNCSA-N 1 3 218.344 2.028 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000084218023 643551200 /nfs/dbraw/zinc/55/12/00/643551200.db2.gz FWRCVRNRZGGPKZ-DGCLKSJQSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245504 643660965 /nfs/dbraw/zinc/66/09/65/643660965.db2.gz AXCCSGLZYHMTOD-QWHCGFSZSA-N 1 3 218.344 2.071 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245504 643660970 /nfs/dbraw/zinc/66/09/70/643660970.db2.gz AXCCSGLZYHMTOD-QWHCGFSZSA-N 1 3 218.344 2.071 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000922140086 643870543 /nfs/dbraw/zinc/87/05/43/643870543.db2.gz NKCNZJDKEHEOEX-RWMBFGLXSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000922140085 643870805 /nfs/dbraw/zinc/87/08/05/643870805.db2.gz NKCNZJDKEHEOEX-JHJVBQTASA-N 1 3 244.448 2.448 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000086403905 644131113 /nfs/dbraw/zinc/13/11/13/644131113.db2.gz AOUQYENQOIZUFK-MNOVXSKESA-N 1 3 224.373 2.416 20 0 BEADHO CC(C)[NH2+]C1CCN(C[Si](C)(C)C)CC1 ZINC000171740947 644177156 /nfs/dbraw/zinc/17/71/56/644177156.db2.gz NJQOMCMASCPUIS-UHFFFAOYSA-N 1 3 228.456 2.326 20 0 BEADHO C[C@@H](C1CC1)[N@H+](CCCNC1CC1)C1CC1 ZINC000923305251 644341041 /nfs/dbraw/zinc/34/10/41/644341041.db2.gz LOLBATYFJSXILX-NSHDSACASA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H](C1CC1)[N@@H+](CCCNC1CC1)C1CC1 ZINC000923305251 644341046 /nfs/dbraw/zinc/34/10/46/644341046.db2.gz LOLBATYFJSXILX-NSHDSACASA-N 1 3 222.376 2.391 20 0 BEADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3cccc(F)c3)C[C@H]12 ZINC000923331774 644360224 /nfs/dbraw/zinc/36/02/24/644360224.db2.gz ICQRRIFGFUIMFO-AEGPPILISA-N 1 3 248.345 2.037 20 0 BEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3cccc(F)c3)C[C@@H]12 ZINC000923331776 644361128 /nfs/dbraw/zinc/36/11/28/644361128.db2.gz ICQRRIFGFUIMFO-BPLDGKMQSA-N 1 3 248.345 2.037 20 0 BEADHO CCCCCC[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392203 644399788 /nfs/dbraw/zinc/39/97/88/644399788.db2.gz IIOZYAKZXCMRGU-MCIONIFRSA-N 1 3 242.407 2.129 20 0 BEADHO Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000086402334 644466522 /nfs/dbraw/zinc/46/65/22/644466522.db2.gz JSINSVLNEQRIHX-KBPBESRZSA-N 1 3 218.344 2.355 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCc2cccs2)C1 ZINC000086402362 644466653 /nfs/dbraw/zinc/46/66/53/644466653.db2.gz OOMHDUHLHGEJSH-ZJUUUORDSA-N 1 3 210.346 2.108 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923534208 644489960 /nfs/dbraw/zinc/48/99/60/644489960.db2.gz RNVGWFNPDIKXFZ-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923534208 644489963 /nfs/dbraw/zinc/48/99/63/644489963.db2.gz RNVGWFNPDIKXFZ-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCCc2occc21 ZINC000250154451 644747217 /nfs/dbraw/zinc/74/72/17/644747217.db2.gz CCYUQOXJJFPZIR-UHTWSYAYSA-N 1 3 234.343 2.374 20 0 BEADHO CC[C@H]1CN(CCc2cccs2)CC[C@H]1[NH3+] ZINC000251572975 644810637 /nfs/dbraw/zinc/81/06/37/644810637.db2.gz BYLXOVIVYIJYOQ-WCQYABFASA-N 1 3 238.400 2.350 20 0 BEADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCSC1 ZINC000252196659 644841953 /nfs/dbraw/zinc/84/19/53/644841953.db2.gz SMJFOKQZKVIBGJ-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO C(CNC1CC1)C[N@@H+]1CCC2(CCCC2)C1 ZINC000304397731 644900793 /nfs/dbraw/zinc/90/07/93/644900793.db2.gz NOAACSAJJIRYJW-UHFFFAOYSA-N 1 3 222.376 2.395 20 0 BEADHO C(CNC1CC1)C[N@H+]1CCC2(CCCC2)C1 ZINC000304397731 644900797 /nfs/dbraw/zinc/90/07/97/644900797.db2.gz NOAACSAJJIRYJW-UHFFFAOYSA-N 1 3 222.376 2.395 20 0 BEADHO C(C[NH2+]C1CC1)CN1CCC2(CCCC2)C1 ZINC000304397731 644900798 /nfs/dbraw/zinc/90/07/98/644900798.db2.gz NOAACSAJJIRYJW-UHFFFAOYSA-N 1 3 222.376 2.395 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)F ZINC000926702918 645369468 /nfs/dbraw/zinc/36/94/68/645369468.db2.gz RFQIQIIDTVDGRG-FOSCPWQOSA-N 1 3 228.355 2.054 20 0 BEADHO CC(C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925492069 646299312 /nfs/dbraw/zinc/29/93/12/646299312.db2.gz FGZJGNXGXAAVML-KGLIPLIRSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925492066 646300024 /nfs/dbraw/zinc/30/00/24/646300024.db2.gz FGZJGNXGXAAVML-KBPBESRZSA-N 1 3 224.392 2.400 20 0 BEADHO CSCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925501772 646303808 /nfs/dbraw/zinc/30/38/08/646303808.db2.gz CATFKPUCQAAHJL-CHWSQXEVSA-N 1 3 242.432 2.107 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC1CC1 ZINC000925575251 646341877 /nfs/dbraw/zinc/34/18/77/646341877.db2.gz YSDZQSPPURFADK-AGIUHOORSA-N 1 3 222.376 2.153 20 0 BEADHO FCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925621067 646367230 /nfs/dbraw/zinc/36/72/30/646367230.db2.gz YHEWPQARQHKHSR-OLZOCXBDSA-N 1 3 228.355 2.104 20 0 BEADHO FC1(F)CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925629710 646374918 /nfs/dbraw/zinc/37/49/18/646374918.db2.gz NDAFWEKVSAICHH-LLVKDONJSA-N 1 3 244.329 2.439 20 0 BEADHO CC1(C)C[C@@H](NC2CC(F)(F)C2)C[C@@H]([NH3+])C1 ZINC000925651482 646391262 /nfs/dbraw/zinc/39/12/62/646391262.db2.gz DKHKASJHYIMKGR-BDAKNGLRSA-N 1 3 232.318 2.280 20 0 BEADHO C[C@@H](F)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925678693 646402288 /nfs/dbraw/zinc/40/22/88/646402288.db2.gz WHOKHOSMUFMGFY-WYUUTHIRSA-N 1 3 228.355 2.101 20 0 BEADHO C[C@H](F)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925678691 646403166 /nfs/dbraw/zinc/40/31/66/646403166.db2.gz WHOKHOSMUFMGFY-USZNOCQGSA-N 1 3 228.355 2.101 20 0 BEADHO C[C@H](F)CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925678177 646407830 /nfs/dbraw/zinc/40/78/30/646407830.db2.gz SJWZGBOLSZQDON-UBHSHLNASA-N 1 3 242.382 2.492 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925689225 646414326 /nfs/dbraw/zinc/41/43/26/646414326.db2.gz HLJBOKSXAJHBEC-RWMBFGLXSA-N 1 3 222.376 2.153 20 0 BEADHO C1CC12C[C@H]2[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925703477 646427397 /nfs/dbraw/zinc/42/73/97/646427397.db2.gz GEJBGHPKNCCJOV-BFHYXJOUSA-N 1 3 234.387 2.297 20 0 BEADHO C1=C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925708679 646432839 /nfs/dbraw/zinc/43/28/39/646432839.db2.gz CZMUKHXBKTXYQL-RRFJBIMHSA-N 1 3 234.387 2.463 20 0 BEADHO C1=C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925708679 646432842 /nfs/dbraw/zinc/43/28/42/646432842.db2.gz CZMUKHXBKTXYQL-RRFJBIMHSA-N 1 3 234.387 2.463 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@@H]1C[C@H]1C1CCC1 ZINC000925711097 646437230 /nfs/dbraw/zinc/43/72/30/646437230.db2.gz WUEVZGNLMULSAK-ZNHNDWKLSA-N 1 3 246.398 2.009 20 0 BEADHO CC1(C)[C@H]([NH2+]CC2CC=CC2)[C@@H]2CCCN[C@@H]21 ZINC000925724054 646449745 /nfs/dbraw/zinc/44/97/45/646449745.db2.gz WHORBUCOUHJHGE-HZSPNIEDSA-N 1 3 234.387 2.319 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000925731011 646453262 /nfs/dbraw/zinc/45/32/62/646453262.db2.gz IURIOVSCAXCGHD-MQYQWHSLSA-N 1 3 234.387 2.319 20 0 BEADHO CC1(C)C[C@@]1(C)C[NH2+][C@H]1CCNC12CCC2 ZINC000925733356 646455527 /nfs/dbraw/zinc/45/55/27/646455527.db2.gz HGSDDFFXJLZTFL-AAEUAGOBSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCNC12CCC2 ZINC000925733358 646455787 /nfs/dbraw/zinc/45/57/87/646455787.db2.gz HGSDDFFXJLZTFL-WCQYABFASA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)(C[NH2+]C1CCNCC1)CC(F)F ZINC000925733391 646456629 /nfs/dbraw/zinc/45/66/29/646456629.db2.gz HWFOTCIWAPINGX-UHFFFAOYSA-N 1 3 220.307 2.009 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCCC1 ZINC000925787610 646482351 /nfs/dbraw/zinc/48/23/51/646482351.db2.gz YVWHUIUXDIOORA-RAIGVLPGSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000925787610 646482344 /nfs/dbraw/zinc/48/23/44/646482344.db2.gz YVWHUIUXDIOORA-RAIGVLPGSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925793203 646485119 /nfs/dbraw/zinc/48/51/19/646485119.db2.gz XRHBLBUTDYUKRM-IVMMDQJWSA-N 1 3 244.382 2.427 20 0 BEADHO C1=CCCC(C[NH2+]C2CCNCC2)CC1 ZINC000925882104 646530946 /nfs/dbraw/zinc/53/09/46/646530946.db2.gz WSSSZNNQSIUKRO-UHFFFAOYSA-N 1 3 208.349 2.074 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC1(C)C ZINC000387667645 711764736 /nfs/dbraw/zinc/76/47/36/711764736.db2.gz JAJKJHMPTAPNNZ-WOPDTQHZSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccc(C[NH2+]CC[C@H](C)N(C)C)c1 ZINC000700606248 711849151 /nfs/dbraw/zinc/84/91/51/711849151.db2.gz WLALGECNHIPUHO-ZDUSSCGKSA-N 1 3 220.360 2.425 20 0 BEADHO C[C@]12C[NH2+]C[C@H]1CN(CCCC1CCC1)C2 ZINC000702128204 712039646 /nfs/dbraw/zinc/03/96/46/712039646.db2.gz UGXQYZPDMFKUTE-UONOGXRCSA-N 1 3 222.376 2.108 20 0 BEADHO CN(C[C@@H]1CC(C)(C)OC1(C)C)C1CC([NH3+])C1 ZINC000709702365 712216078 /nfs/dbraw/zinc/21/60/78/712216078.db2.gz MZSVBXPEYHYKGS-UNXYVOJBSA-N 1 3 240.391 2.002 20 0 BEADHO FC[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000711440734 712301005 /nfs/dbraw/zinc/30/10/05/712301005.db2.gz FCTQBAYWJPTYNG-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545347 712387844 /nfs/dbraw/zinc/38/78/44/712387844.db2.gz YOWUKECNSUZYDY-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)CCS1 ZINC000379545347 712387845 /nfs/dbraw/zinc/38/78/45/712387845.db2.gz YOWUKECNSUZYDY-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)CCS1 ZINC000379545347 712387846 /nfs/dbraw/zinc/38/78/46/712387846.db2.gz YOWUKECNSUZYDY-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712378708 712428680 /nfs/dbraw/zinc/42/86/80/712428680.db2.gz RHUPXNVQXLIWRY-HTVCTNPSSA-N 1 3 222.376 2.282 20 0 BEADHO C=C/C=C/CCN1CCC[C@@H](C[NH2+]C)C1 ZINC000713737164 712470650 /nfs/dbraw/zinc/47/06/50/712470650.db2.gz ZSNTWEOBNXZUKP-IHVVCDCBSA-N 1 3 208.349 2.050 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CCCS1 ZINC000715656992 712529857 /nfs/dbraw/zinc/52/98/57/712529857.db2.gz ILGHXRHUSLGXFB-QJPTWQEYSA-N 1 3 228.405 2.002 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)OC ZINC000715532487 712526284 /nfs/dbraw/zinc/52/62/84/712526284.db2.gz MLNDFDKCAGEFDD-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](CN[C@H]1CCC[C@@H]([NH+](C)C)C1)OC ZINC000715532487 712526286 /nfs/dbraw/zinc/52/62/86/712526286.db2.gz MLNDFDKCAGEFDD-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CCO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000721238857 712900054 /nfs/dbraw/zinc/90/00/54/712900054.db2.gz LPLHYJAVYKNRPS-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CC/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000384830622 710998895 /nfs/dbraw/zinc/99/88/95/710998895.db2.gz GTVIBDOPYJZRDY-XQENQYBNSA-N 1 3 208.349 2.167 20 0 BEADHO CC/C=C\CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000384830622 710998898 /nfs/dbraw/zinc/99/88/98/710998898.db2.gz GTVIBDOPYJZRDY-XQENQYBNSA-N 1 3 208.349 2.167 20 0 BEADHO CC/C=C\CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000384830622 710998900 /nfs/dbraw/zinc/99/89/00/710998900.db2.gz GTVIBDOPYJZRDY-XQENQYBNSA-N 1 3 208.349 2.167 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000383994982 710988225 /nfs/dbraw/zinc/98/82/25/710988225.db2.gz AATPGSLGIGAVAH-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@]1(C)CCCNC1 ZINC000383994982 710988229 /nfs/dbraw/zinc/98/82/29/710988229.db2.gz AATPGSLGIGAVAH-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000385545747 711014533 /nfs/dbraw/zinc/01/45/33/711014533.db2.gz VPEIMWPIDQVPMU-TYSGWJLXSA-N 1 3 248.414 2.399 20 0 BEADHO CC1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000385514714 711015404 /nfs/dbraw/zinc/01/54/04/711015404.db2.gz NXSGCMTXMTUIAX-OTSVQJDGSA-N 1 3 248.414 2.399 20 0 BEADHO [NH3+][C@H](CC(F)F)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000380747780 712902751 /nfs/dbraw/zinc/90/27/51/712902751.db2.gz SZKMGAHVRQWZDP-AXFHLTTASA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H]1CN(CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000390067677 711104665 /nfs/dbraw/zinc/10/46/65/711104665.db2.gz DIHZGKAVIFLIAG-NXEZZACHSA-N 1 3 220.307 2.091 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1(C2CC2)CCC1 ZINC000391420728 711138777 /nfs/dbraw/zinc/13/87/77/711138777.db2.gz DBSRRJZQBTWQAE-WPTOEGHWSA-N 1 3 246.398 2.153 20 0 BEADHO C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C)(C)C ZINC000392940023 711155292 /nfs/dbraw/zinc/15/52/92/711155292.db2.gz ZVXFSTBTWMBYRK-BBMNEWJDSA-N 1 3 236.403 2.255 20 0 BEADHO C1[NH2+][C@@H]2[C@H](NC3CCCCCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000392980156 711155324 /nfs/dbraw/zinc/15/53/24/711155324.db2.gz ZRDJTCPUMGSHSK-RCZQDCHWSA-N 1 3 234.387 2.295 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]1(C)CCCS1 ZINC000396601526 711353499 /nfs/dbraw/zinc/35/34/99/711353499.db2.gz XPNMONIIVIRJJS-SDDRHHMPSA-N 1 3 228.405 2.002 20 0 BEADHO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000397464891 711382141 /nfs/dbraw/zinc/38/21/41/711382141.db2.gz SOXAYDYSDRGWOW-WDEREUQCSA-N 1 3 230.421 2.235 20 0 BEADHO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000397464886 711383229 /nfs/dbraw/zinc/38/32/29/711383229.db2.gz SOXAYDYSDRGWOW-GHMZBOCLSA-N 1 3 230.421 2.235 20 0 BEADHO CO[C@@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000382366503 711503353 /nfs/dbraw/zinc/50/33/53/711503353.db2.gz XZADMMOQHNPRKP-HIFRSBDPSA-N 1 3 248.370 2.045 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)CN(C)C ZINC000382229753 711643450 /nfs/dbraw/zinc/64/34/50/711643450.db2.gz GTHQVJKOIQDLBG-BLYZHGLHSA-N 1 3 224.392 2.352 20 0 BEADHO Cc1nc([C@@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000925879941 711761878 /nfs/dbraw/zinc/76/18/78/711761878.db2.gz MSCFIAXCTLASLV-IEBDPFPHSA-N 1 3 239.388 2.230 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216025 711937802 /nfs/dbraw/zinc/93/78/02/711937802.db2.gz LYDPGWVAMMGFGG-AVGNSLFASA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]1CCCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000705575810 712133454 /nfs/dbraw/zinc/13/34/54/712133454.db2.gz DXSJJZKYPKTLQJ-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000705575810 712133455 /nfs/dbraw/zinc/13/34/55/712133455.db2.gz DXSJJZKYPKTLQJ-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000705575804 712133479 /nfs/dbraw/zinc/13/34/79/712133479.db2.gz DXSJJZKYPKTLQJ-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000705575804 712133480 /nfs/dbraw/zinc/13/34/80/712133480.db2.gz DXSJJZKYPKTLQJ-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCC12CC2 ZINC000706262960 712142950 /nfs/dbraw/zinc/14/29/50/712142950.db2.gz ITIZEWDWAICLRD-MZHQWRCYSA-N 1 3 246.398 2.153 20 0 BEADHO CCC[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000708921876 712203458 /nfs/dbraw/zinc/20/34/58/712203458.db2.gz HNJGAYJXDVKMET-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO C[C@@]1(CN2CCC[C@H](CF)C2)CCC[NH2+]C1 ZINC000711420183 712299015 /nfs/dbraw/zinc/29/90/15/712299015.db2.gz XIPXAVXIPUFLFF-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@@]1(C[N@@H+]2CCC[C@H](CF)C2)CCCNC1 ZINC000711420183 712299016 /nfs/dbraw/zinc/29/90/16/712299016.db2.gz XIPXAVXIPUFLFF-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@@]1(C[N@H+]2CCC[C@H](CF)C2)CCCNC1 ZINC000711420183 712299017 /nfs/dbraw/zinc/29/90/17/712299017.db2.gz XIPXAVXIPUFLFF-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@]1(CN2CCC[C@H](CF)C2)CCC[NH2+]C1 ZINC000711420184 712299158 /nfs/dbraw/zinc/29/91/58/712299158.db2.gz XIPXAVXIPUFLFF-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@]1(C[N@@H+]2CCC[C@H](CF)C2)CCCNC1 ZINC000711420184 712299160 /nfs/dbraw/zinc/29/91/60/712299160.db2.gz XIPXAVXIPUFLFF-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@]1(C[N@H+]2CCC[C@H](CF)C2)CCCNC1 ZINC000711420184 712299162 /nfs/dbraw/zinc/29/91/62/712299162.db2.gz XIPXAVXIPUFLFF-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO FC[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711440735 712300929 /nfs/dbraw/zinc/30/09/29/712300929.db2.gz FCTQBAYWJPTYNG-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000711670434 712315682 /nfs/dbraw/zinc/31/56/82/712315682.db2.gz VGTOVEJDAHSAHF-FRRDWIJNSA-N 1 3 208.349 2.060 20 0 BEADHO CC1(C)CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000388705657 712389731 /nfs/dbraw/zinc/38/97/31/712389731.db2.gz LKYAGSQPTOILSM-MZHQWRCYSA-N 1 3 248.414 2.399 20 0 BEADHO CC1(C)CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000388705659 712389994 /nfs/dbraw/zinc/38/99/94/712389994.db2.gz LKYAGSQPTOILSM-UJOWSUJOSA-N 1 3 248.414 2.399 20 0 BEADHO CC[N@@H+]1CC[C@@H]1CNc1ccnc2ccccc21 ZINC000712594796 712436347 /nfs/dbraw/zinc/43/63/47/712436347.db2.gz MIXQZSRHFHXZSW-GFCCVEGCSA-N 1 3 241.338 2.163 20 0 BEADHO CC[N@H+]1CC[C@@H]1CNc1ccnc2ccccc21 ZINC000712594796 712436348 /nfs/dbraw/zinc/43/63/48/712436348.db2.gz MIXQZSRHFHXZSW-GFCCVEGCSA-N 1 3 241.338 2.163 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)CC[C@H]1[NH3+] ZINC000714368282 712483802 /nfs/dbraw/zinc/48/38/02/712483802.db2.gz LXBMOZOZVGYZEX-FRRDWIJNSA-N 1 3 240.391 2.003 20 0 BEADHO CSC1CC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000715545640 712527305 /nfs/dbraw/zinc/52/73/05/712527305.db2.gz ZSKPAEYAKUIIOJ-IGJPJIBNSA-N 1 3 242.432 2.343 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715600097 712527727 /nfs/dbraw/zinc/52/77/27/712527727.db2.gz ICKMLSBPIRKXSS-RWMBFGLXSA-N 1 3 242.432 2.379 20 0 BEADHO CC[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)CO1 ZINC000715560757 712528712 /nfs/dbraw/zinc/52/87/12/712528712.db2.gz DSWDTWUOPPHTQA-XDQVBPFNSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CO1 ZINC000715560757 712528713 /nfs/dbraw/zinc/52/87/13/712528713.db2.gz DSWDTWUOPPHTQA-XDQVBPFNSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CCCS1 ZINC000715657001 712529872 /nfs/dbraw/zinc/52/98/72/712529872.db2.gz ILGHXRHUSLGXFB-TUAOUCFPSA-N 1 3 228.405 2.002 20 0 BEADHO CC(C)(C)[NH2+]CCNC1CCC=CCC1 ZINC000718068189 712740497 /nfs/dbraw/zinc/74/04/97/712740497.db2.gz NUPPCQWSSWLIGI-UHFFFAOYSA-N 1 3 210.365 2.463 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000038041118 712801431 /nfs/dbraw/zinc/80/14/31/712801431.db2.gz VANCXQXZPWKDJR-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000720775849 712864669 /nfs/dbraw/zinc/86/46/69/712864669.db2.gz ALRRFOZDAJYPEO-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000720775851 712864724 /nfs/dbraw/zinc/86/47/24/712864724.db2.gz ALRRFOZDAJYPEO-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO [NH3+]C[C@@H]1CN(CC2CC=CC2)C[C@@H]1C(F)(F)F ZINC000720878442 712873035 /nfs/dbraw/zinc/87/30/35/712873035.db2.gz SRFYJVGKYQQGQN-MNOVXSKESA-N 1 3 248.292 2.022 20 0 BEADHO C[C@H]1CN(c2[nH+]ccc3[nH]ccc32)[C@@H](C)CN1C ZINC000663763900 719155792 /nfs/dbraw/zinc/15/57/92/719155792.db2.gz ITUMRTUHPBBCCF-QWRGUYRKSA-N 1 3 244.342 2.092 20 0 BEADHO C1CNC[C@H]([NH+]2C3CCCC2CCC3)C1 ZINC000707100363 958375745 /nfs/dbraw/zinc/37/57/45/958375745.db2.gz OKPZPRLQKXXDJS-WXRRBKDZSA-N 1 3 208.349 2.145 20 0 BEADHO CCc1ccccc1C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC000309256908 959811339 /nfs/dbraw/zinc/81/13/39/959811339.db2.gz CLTRLSNCYUMISR-BXUZGUMPSA-N 1 3 218.344 2.171 20 0 BEADHO CCc1ccccc1C[N@H+]1CC[C@@H](N)[C@H]1C ZINC000309256908 959811344 /nfs/dbraw/zinc/81/13/44/959811344.db2.gz CLTRLSNCYUMISR-BXUZGUMPSA-N 1 3 218.344 2.171 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695765019 960443322 /nfs/dbraw/zinc/44/33/22/960443322.db2.gz SJMJIVGBCPSFMD-XQQFMLRXSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451157 960612975 /nfs/dbraw/zinc/61/29/75/960612975.db2.gz WRKZAKOIWTZMSD-NEPJUHHUSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451157 960612983 /nfs/dbraw/zinc/61/29/83/960612983.db2.gz WRKZAKOIWTZMSD-NEPJUHHUSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@@H]1CC[C@H](NCC2(C)CCCC2)C[NH2+]1 ZINC000398946721 961051190 /nfs/dbraw/zinc/05/11/90/961051190.db2.gz BHFLGPNYKDAJOA-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+]C1CCCCC1 ZINC000822123798 963939374 /nfs/dbraw/zinc/93/93/74/963939374.db2.gz FKEVXQBYXGVUAV-CYBMUJFWSA-N 1 3 210.365 2.393 20 0 BEADHO C[C@H](CC[NH2+]C1CCC(C)CC1)N(C)C ZINC000697878157 964604270 /nfs/dbraw/zinc/60/42/70/964604270.db2.gz JJVZHYZIADGDAR-OTTFEQOBSA-N 1 3 212.381 2.495 20 0 BEADHO C1CC([NH2+]C23CC4CC(CC(C4)C2)C3)CCN1 ZINC000038040479 1165890336 /nfs/dbraw/zinc/89/03/36/1165890336.db2.gz OYZYNWFVWWQPAN-UHFFFAOYSA-N 1 3 234.387 2.297 20 0 BEADHO C[NH+](C)CC(C)(C)CN1CCC[C@@H](CF)C1 ZINC001207286921 968718406 /nfs/dbraw/zinc/71/84/06/968718406.db2.gz WJDRBTJZKBCBES-LBPRGKRZSA-N 1 3 230.371 2.256 20 0 BEADHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000167604750 1166382949 /nfs/dbraw/zinc/38/29/49/1166382949.db2.gz SWOANKSCHUHPSS-ZDEQEGDKSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000167604750 1166382955 /nfs/dbraw/zinc/38/29/55/1166382955.db2.gz SWOANKSCHUHPSS-ZDEQEGDKSA-N 1 3 212.381 2.338 20 0 BEADHO CCC(CC)C[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC000250384066 1166394972 /nfs/dbraw/zinc/39/49/72/1166394972.db2.gz FNYHYLIXGJYPNF-YPMHNXCESA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1C[C@H](CN)CC[C@H]1C ZINC000250384066 1166394981 /nfs/dbraw/zinc/39/49/81/1166394981.db2.gz FNYHYLIXGJYPNF-YPMHNXCESA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC000252965022 1166760119 /nfs/dbraw/zinc/76/01/19/1166760119.db2.gz WWQYFFWTGKXLIQ-JHJVBQTASA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC000252965022 1166760124 /nfs/dbraw/zinc/76/01/24/1166760124.db2.gz WWQYFFWTGKXLIQ-JHJVBQTASA-N 1 3 210.365 2.247 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCC1 ZINC001255940899 970567981 /nfs/dbraw/zinc/56/79/81/970567981.db2.gz IHOKCIGGDYEGOF-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCCSC ZINC001255942007 970578437 /nfs/dbraw/zinc/57/84/37/970578437.db2.gz CWKFHVYTWIHBLH-LLVKDONJSA-N 1 3 218.410 2.059 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCSC ZINC001255942007 970578448 /nfs/dbraw/zinc/57/84/48/970578448.db2.gz CWKFHVYTWIHBLH-LLVKDONJSA-N 1 3 218.410 2.059 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)n1ccc([C@H](C)N)n1 ZINC001255947889 970581097 /nfs/dbraw/zinc/58/10/97/970581097.db2.gz YMRWSRDRONMRPH-NEPJUHHUSA-N 1 3 238.379 2.196 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC001255953167 970587449 /nfs/dbraw/zinc/58/74/49/970587449.db2.gz XVKUOPQZJYXGKJ-UONOGXRCSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC001255953168 970589025 /nfs/dbraw/zinc/58/90/25/970589025.db2.gz XVKUOPQZJYXGKJ-ZIAGYGMSSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@H](COC)C1 ZINC001255957072 970595638 /nfs/dbraw/zinc/59/56/38/970595638.db2.gz OQVBVLZDVBZQJB-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@H](COC)C1 ZINC001255957072 970595643 /nfs/dbraw/zinc/59/56/43/970595643.db2.gz OQVBVLZDVBZQJB-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@H](COC)C1 ZINC001255957072 970595655 /nfs/dbraw/zinc/59/56/55/970595655.db2.gz OQVBVLZDVBZQJB-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@]1([NH3+])CCN(C2CCC(C)(C)CC2)C1 ZINC000405857185 1166888423 /nfs/dbraw/zinc/88/84/23/1166888423.db2.gz OOIOJLWFIOERNB-ZDUSSCGKSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318481 1166910322 /nfs/dbraw/zinc/91/03/22/1166910322.db2.gz BWBHUZCCDWLWFP-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318481 1166910326 /nfs/dbraw/zinc/91/03/26/1166910326.db2.gz BWBHUZCCDWLWFP-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO Cc1cnccc1CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000397484494 1166994920 /nfs/dbraw/zinc/99/49/20/1166994920.db2.gz AWQUZNKLDHIDTG-OAHLLOKOSA-N 1 3 249.402 2.238 20 0 BEADHO CCc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC001173241580 975162854 /nfs/dbraw/zinc/16/28/54/975162854.db2.gz OJKYVVIHYXRRLU-STQMWFEESA-N 1 3 234.387 2.364 20 0 BEADHO CCC[C@@H](C)[N@H+](C)C[C@H](CN)C(C)C ZINC000251355468 1167133961 /nfs/dbraw/zinc/13/39/61/1167133961.db2.gz RLLBTDJMDAJQOX-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CCC[C@@H](C)[N@@H+](C)C[C@H](CN)C(C)C ZINC000251355468 1167133965 /nfs/dbraw/zinc/13/39/65/1167133965.db2.gz RLLBTDJMDAJQOX-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)C ZINC000308508811 1167185664 /nfs/dbraw/zinc/18/56/64/1167185664.db2.gz JXIBPNWZUSXHDV-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO CCC[N@H+](CC(C)C)[C@H]1CCN[C@H](C)C1 ZINC000308804535 1167201302 /nfs/dbraw/zinc/20/13/02/1167201302.db2.gz AGLFTHMQEWJUPQ-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[N@@H+](CC(C)C)[C@H]1CCN[C@H](C)C1 ZINC000308804535 1167201310 /nfs/dbraw/zinc/20/13/10/1167201310.db2.gz AGLFTHMQEWJUPQ-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@H](C)C[C@H](N)C1 ZINC000215507028 1167410825 /nfs/dbraw/zinc/41/08/25/1167410825.db2.gz QWGHVWHNCNQCIH-RISCZKNCSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@H](C)C[C@H](N)C1 ZINC000215507028 1167410828 /nfs/dbraw/zinc/41/08/28/1167410828.db2.gz QWGHVWHNCNQCIH-RISCZKNCSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]3CCC[C@H]32)CN1 ZINC000251929550 1167464840 /nfs/dbraw/zinc/46/48/40/1167464840.db2.gz VEUCWUGYRDUPKE-YIYPIFLZSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3CCC[C@H]32)CN1 ZINC000251929550 1167464844 /nfs/dbraw/zinc/46/48/44/1167464844.db2.gz VEUCWUGYRDUPKE-YIYPIFLZSA-N 1 3 222.376 2.391 20 0 BEADHO CCC[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000386447794 1167710534 /nfs/dbraw/zinc/71/05/34/1167710534.db2.gz NOQPGYYVJCPPHF-PIGZVRMJSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C[C@@H](C)C1 ZINC000310489191 1167783930 /nfs/dbraw/zinc/78/39/30/1167783930.db2.gz FNVFLWZCHCGECK-XPABHHOTSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C[C@@H](C)C1 ZINC000310489191 1167783940 /nfs/dbraw/zinc/78/39/40/1167783940.db2.gz FNVFLWZCHCGECK-XPABHHOTSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCNC[C@H]3C2)C[C@@H](C)C1 ZINC000310489183 1167784401 /nfs/dbraw/zinc/78/44/01/1167784401.db2.gz FNVFLWZCHCGECK-AIEDFZFUSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCNC[C@H]3C2)C[C@@H](C)C1 ZINC000310489183 1167784408 /nfs/dbraw/zinc/78/44/08/1167784408.db2.gz FNVFLWZCHCGECK-AIEDFZFUSA-N 1 3 236.403 2.352 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@]3(N)C2)c(C)c1 ZINC001235980810 1167803957 /nfs/dbraw/zinc/80/39/57/1167803957.db2.gz ORSAJOOVXDXXGQ-CABCVRRESA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H]3CC[C@]3(N)C2)c(C)c1 ZINC001235980810 1167803979 /nfs/dbraw/zinc/80/39/79/1167803979.db2.gz ORSAJOOVXDXXGQ-CABCVRRESA-N 1 3 230.355 2.227 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235176296 978989182 /nfs/dbraw/zinc/98/91/82/978989182.db2.gz ZYZGNYNNUMFXQZ-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@]12CCCNC2 ZINC001235176296 978989191 /nfs/dbraw/zinc/98/91/91/978989191.db2.gz ZYZGNYNNUMFXQZ-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H](CCN1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235284474 979017851 /nfs/dbraw/zinc/01/78/51/979017851.db2.gz XLWWUBYWJDUQTE-RVMXOQNASA-N 1 3 224.392 2.338 20 0 BEADHO C[N@@H+]1CCC[C@@H](NCCOc2ccccc2)CC1 ZINC000086818956 1168310403 /nfs/dbraw/zinc/31/04/03/1168310403.db2.gz KJAUJRVMOFZSEE-CQSZACIVSA-N 1 3 248.370 2.139 20 0 BEADHO C[N@H+]1CCC[C@@H](NCCOc2ccccc2)CC1 ZINC000086818956 1168310410 /nfs/dbraw/zinc/31/04/10/1168310410.db2.gz KJAUJRVMOFZSEE-CQSZACIVSA-N 1 3 248.370 2.139 20 0 BEADHO C[N@@H+]1CCC[C@H](NCCOC2CCCC2)CC1 ZINC000086819127 1168313955 /nfs/dbraw/zinc/31/39/55/1168313955.db2.gz YGHIPGZBMSMTNN-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+]1CCC[C@H](NCCOC2CCCC2)CC1 ZINC000086819127 1168313961 /nfs/dbraw/zinc/31/39/61/1168313961.db2.gz YGHIPGZBMSMTNN-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO CSC(C)(C)C[C@H](C)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246854703 973169046 /nfs/dbraw/zinc/16/90/46/973169046.db2.gz QQWKUJGHLLWIBQ-DMDPSCGWSA-N 1 3 242.432 2.330 20 0 BEADHO CCC[N@H+](CCCN)C1CCC(OCC)CC1 ZINC001256429385 970833117 /nfs/dbraw/zinc/83/31/17/970833117.db2.gz JHQWZFHHZFAZPA-UHFFFAOYSA-N 1 3 242.407 2.395 20 0 BEADHO CCC[N@@H+](CCCN)C1CCC(OCC)CC1 ZINC001256429385 970833118 /nfs/dbraw/zinc/83/31/18/970833118.db2.gz JHQWZFHHZFAZPA-UHFFFAOYSA-N 1 3 242.407 2.395 20 0 BEADHO C[C@H](Cc1ccncc1)[NH2+]CCCN1CCCC1 ZINC001256716553 970933299 /nfs/dbraw/zinc/93/32/99/970933299.db2.gz TWWYHKJWFGRUEU-CQSZACIVSA-N 1 3 247.386 2.088 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccncc1 ZINC001256718422 970935791 /nfs/dbraw/zinc/93/57/91/970935791.db2.gz IPJVXKSDKPNBMT-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccncc1 ZINC001256718422 970935797 /nfs/dbraw/zinc/93/57/97/970935797.db2.gz IPJVXKSDKPNBMT-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)N1CCC([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001257223671 971133076 /nfs/dbraw/zinc/13/30/76/971133076.db2.gz VJJFQDJCXXUKSU-CYBMUJFWSA-N 1 3 228.355 2.293 20 0 BEADHO CC(C)N1CCC([N@H+]2CCC[C@@H]2CF)CC1 ZINC001257223671 971133082 /nfs/dbraw/zinc/13/30/82/971133082.db2.gz VJJFQDJCXXUKSU-CYBMUJFWSA-N 1 3 228.355 2.293 20 0 BEADHO [NH3+][C@H]1C[C@H](NCCc2cccc(F)c2)C12CCC2 ZINC000405234154 971215427 /nfs/dbraw/zinc/21/54/27/971215427.db2.gz RZSFDTJANNSJGO-KBPBESRZSA-N 1 3 248.345 2.228 20 0 BEADHO Cc1cccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000405277424 971227969 /nfs/dbraw/zinc/22/79/69/971227969.db2.gz XSQZRAUPZPFBKA-CABCVRRESA-N 1 3 244.382 2.397 20 0 BEADHO CC(C)CN1CCC([NH+]2CC(C)C2)CC1 ZINC001258011677 971551577 /nfs/dbraw/zinc/55/15/77/971551577.db2.gz OCCZFYPTDPXICD-UHFFFAOYSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218027897 971578383 /nfs/dbraw/zinc/57/83/83/971578383.db2.gz BHIJZWQXCLRKKY-BXUZGUMPSA-N 1 3 246.354 2.057 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)[C@H](C)OC ZINC000309676111 971753356 /nfs/dbraw/zinc/75/33/56/971753356.db2.gz XSMZELCBZXOQBB-XQQFMLRXSA-N 1 3 230.396 2.120 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000309676111 971753367 /nfs/dbraw/zinc/75/33/67/971753367.db2.gz XSMZELCBZXOQBB-XQQFMLRXSA-N 1 3 230.396 2.120 20 0 BEADHO C([C@H]1CCCCN1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309934649 971883019 /nfs/dbraw/zinc/88/30/19/971883019.db2.gz XTTMNZHMWXCYGW-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@H]1CCCCN1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309934649 971883022 /nfs/dbraw/zinc/88/30/22/971883022.db2.gz XTTMNZHMWXCYGW-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO CCc1cccc(CC)c1N[C@@H](N)CCC[NH3+] ZINC001170906946 972081471 /nfs/dbraw/zinc/08/14/71/972081471.db2.gz ZADBUWJQQKEANZ-CYBMUJFWSA-N 1 3 235.375 2.247 20 0 BEADHO CC1(C)[C@@H]2C[C@H](N[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001246089281 972144376 /nfs/dbraw/zinc/14/43/76/972144376.db2.gz BXGYQIFFZOUUMM-FVCCEPFGSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](CC1CC1)NC[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106361 972170067 /nfs/dbraw/zinc/17/00/67/972170067.db2.gz PPHNKCQJZVKRFW-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CC1CC1)NC[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106357 972170232 /nfs/dbraw/zinc/17/02/32/972170232.db2.gz PPHNKCQJZVKRFW-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO CN1CCc2ccc(C3=CCC[N@H+](C)C3)cc2C1 ZINC001241571739 1169730772 /nfs/dbraw/zinc/73/07/72/1169730772.db2.gz HLNHRRRDBGRFOZ-UHFFFAOYSA-N 1 3 242.366 2.393 20 0 BEADHO CN1CCc2ccc(C3=CCC[N@@H+](C)C3)cc2C1 ZINC001241571739 1169730777 /nfs/dbraw/zinc/73/07/77/1169730777.db2.gz HLNHRRRDBGRFOZ-UHFFFAOYSA-N 1 3 242.366 2.393 20 0 BEADHO CSC(C)(C)C[C@H](C)N[C@H]1CCC[NH2+]C1 ZINC001246120598 972186576 /nfs/dbraw/zinc/18/65/76/972186576.db2.gz MZEDVXCSMWGUSX-QWRGUYRKSA-N 1 3 230.421 2.248 20 0 BEADHO CCCC(CCC)[NH2+][C@@H]1CNCC12CC2 ZINC001246136364 972190940 /nfs/dbraw/zinc/19/09/40/972190940.db2.gz WMPOUODSHDVEDS-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CS[C@@H](C)CC[NH+]1CCC2(CN(C)C2)CC1 ZINC001208155993 957034652 /nfs/dbraw/zinc/03/46/52/957034652.db2.gz USMFHAZGALPGSU-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2CCCN(C)C2)C[C@H]1F ZINC001208605980 957089333 /nfs/dbraw/zinc/08/93/33/957089333.db2.gz CSULTTNCSCBLHU-FRRDWIJNSA-N 1 3 228.355 2.008 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C)C2)C[C@H]1F ZINC001208605980 957089350 /nfs/dbraw/zinc/08/93/50/957089350.db2.gz CSULTTNCSCBLHU-FRRDWIJNSA-N 1 3 228.355 2.008 20 0 BEADHO C[C@@H]1CC(C[N@@H+]2CCC[C@H](N)CC2)C[C@@H](C)O1 ZINC000724507934 957317990 /nfs/dbraw/zinc/31/79/90/957317990.db2.gz JKLWLUYTUFTJCB-BZPMIXESSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC(C[N@H+]2CCC[C@H](N)CC2)C[C@@H](C)O1 ZINC000724507934 957318000 /nfs/dbraw/zinc/31/80/00/957318000.db2.gz JKLWLUYTUFTJCB-BZPMIXESSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1Cc2cccc(Cl)c2C1 ZINC001246307359 972269499 /nfs/dbraw/zinc/26/94/99/972269499.db2.gz XCDPETCFYIUASD-GXSJLCMTSA-N 1 3 238.762 2.134 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H]1CCc2cc(F)ccc2C1 ZINC001246313811 972274259 /nfs/dbraw/zinc/27/42/59/972274259.db2.gz LNXWBDBAUSOIIT-KGLIPLIRSA-N 1 3 236.334 2.010 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1CCc2cc(F)ccc2C1 ZINC001246313807 972275864 /nfs/dbraw/zinc/27/58/64/972275864.db2.gz LNXWBDBAUSOIIT-KBPBESRZSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CC(F)(F)C3)CCN1 ZINC001246336300 972298074 /nfs/dbraw/zinc/29/80/74/972298074.db2.gz UNWIFSUPZWPXDQ-NXEZZACHSA-N 1 3 244.329 2.294 20 0 BEADHO C[NH2+]CC[C@@H](C)NC[C@H]1CCc2ccccc2N1 ZINC001246353204 972301399 /nfs/dbraw/zinc/30/13/99/972301399.db2.gz QDQHLWMNCZIWBJ-TZMCWYRMSA-N 1 3 247.386 2.001 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC000706561390 958008513 /nfs/dbraw/zinc/00/85/13/958008513.db2.gz XKYUWMNLRVZWJV-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@]1([NH2+]C2CCCCCC2)CCNC1 ZINC001246459087 972332048 /nfs/dbraw/zinc/33/20/48/972332048.db2.gz JCTFGSDBTHNJDD-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO Cc1ccc2c(c1)C[C@@H](N[C@H]1C[C@@](C)([NH3+])C1)CC2 ZINC001246459062 972334021 /nfs/dbraw/zinc/33/40/21/972334021.db2.gz IWKPSAVUUGZHTH-HRCADAONSA-N 1 3 244.382 2.322 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@@](C)(N)C1)CC2 ZINC001246459062 972334024 /nfs/dbraw/zinc/33/40/24/972334024.db2.gz IWKPSAVUUGZHTH-HRCADAONSA-N 1 3 244.382 2.322 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC000707627660 958638038 /nfs/dbraw/zinc/63/80/38/958638038.db2.gz RRRVYQWPEYYIDB-NEPJUHHUSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC23CCCC3)CCN1 ZINC000707627660 958638048 /nfs/dbraw/zinc/63/80/48/958638048.db2.gz RRRVYQWPEYYIDB-NEPJUHHUSA-N 1 3 208.349 2.145 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222232896 972413693 /nfs/dbraw/zinc/41/36/93/972413693.db2.gz YKXBGZNFJAGNPV-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H](C)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222232896 972413699 /nfs/dbraw/zinc/41/36/99/972413699.db2.gz YKXBGZNFJAGNPV-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO C(C1CCC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001222231151 972416263 /nfs/dbraw/zinc/41/62/63/972416263.db2.gz JZBUBCHFRFBDPS-ZDUSSCGKSA-N 1 3 208.349 2.005 20 0 BEADHO C(C1CCC1)[N@H+]1CCC[C@]12CCCNC2 ZINC001222231151 972416271 /nfs/dbraw/zinc/41/62/71/972416271.db2.gz JZBUBCHFRFBDPS-ZDUSSCGKSA-N 1 3 208.349 2.005 20 0 BEADHO C(C1CCC1)N1CCC[C@]12CCC[NH2+]C2 ZINC001222231151 972416274 /nfs/dbraw/zinc/41/62/74/972416274.db2.gz JZBUBCHFRFBDPS-ZDUSSCGKSA-N 1 3 208.349 2.005 20 0 BEADHO [NH3+]C[C@@H]1CCCCN(Cc2cccs2)C1 ZINC000308790755 959503684 /nfs/dbraw/zinc/50/36/84/959503684.db2.gz AYRBKWWPRPLTNP-NSHDSACASA-N 1 3 224.373 2.309 20 0 BEADHO CC(C)CCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000308885274 959537256 /nfs/dbraw/zinc/53/72/56/959537256.db2.gz WQMLDPACRUZCBQ-ZDUSSCGKSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)CCC[N@H+]1CCCC[C@@H](CN)C1 ZINC000308885274 959537267 /nfs/dbraw/zinc/53/72/67/959537267.db2.gz WQMLDPACRUZCBQ-ZDUSSCGKSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000309276433 959823606 /nfs/dbraw/zinc/82/36/06/959823606.db2.gz DVGGTMLYSYYFHR-QWRGUYRKSA-N 1 3 240.778 2.455 20 0 BEADHO C[NH2+]CCNc1ccnc2cc(C)ccc21 ZINC001167726373 960249113 /nfs/dbraw/zinc/24/91/13/960249113.db2.gz DGCGTTGEHOXVLD-UHFFFAOYSA-N 1 3 215.300 2.175 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CCCC1 ZINC000709264531 960463698 /nfs/dbraw/zinc/46/36/98/960463698.db2.gz IFNUUSONVZECMX-GMXVVIOVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC000083453923 960819849 /nfs/dbraw/zinc/81/98/49/960819849.db2.gz SLOYUNURUWKHRB-JTQLQIEISA-N 1 3 241.766 2.165 20 0 BEADHO CCCC[C@H](CC)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300048482 960873845 /nfs/dbraw/zinc/87/38/45/960873845.db2.gz KMWXUIZMOBEUDE-FRRDWIJNSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1CC[C@H](NCC2(C)CCCC2)C[NH2+]1 ZINC000398946728 961051898 /nfs/dbraw/zinc/05/18/98/961051898.db2.gz BHFLGPNYKDAJOA-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CN2CCCC[C@H](C[NH3+])C2)c(C)n1 ZINC001206631881 962128106 /nfs/dbraw/zinc/12/81/06/962128106.db2.gz BWVPQMKGLSCCGO-CQSZACIVSA-N 1 3 247.386 2.259 20 0 BEADHO C(C1CC1)N1CCC2(C[NH+]([C@@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167939351 962140178 /nfs/dbraw/zinc/14/01/78/962140178.db2.gz VCCDEQJEQGDEAZ-QDMKHBRRSA-N 1 3 246.398 2.203 20 0 BEADHO Cc1ccc(O)cc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206641462 962284147 /nfs/dbraw/zinc/28/41/47/962284147.db2.gz XVVHMAHPMNTVNK-CYBMUJFWSA-N 1 3 248.370 2.261 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)C(C)(F)F ZINC000696621529 963299609 /nfs/dbraw/zinc/29/96/09/963299609.db2.gz RJYLEFCIUUIXJE-ZJUUUORDSA-N 1 3 234.334 2.385 20 0 BEADHO Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc2[nH]ccc21 ZINC001158178398 963820328 /nfs/dbraw/zinc/82/03/28/963820328.db2.gz PUTJGHOZAQVUSL-AOOOYVTPSA-N 1 3 244.342 2.058 20 0 BEADHO C[C@H](CC1CC1)[NH2+]CC[C@@H]1CCCN1C ZINC000822123674 963938639 /nfs/dbraw/zinc/93/86/39/963938639.db2.gz ABJLJEBALCUXQJ-YPMHNXCESA-N 1 3 210.365 2.249 20 0 BEADHO Cc1cc2[nH]ccc2c(N(C)C(C)(C)C[NH3+])n1 ZINC001159055790 963988423 /nfs/dbraw/zinc/98/84/23/963988423.db2.gz VQVPPBULBWFFAF-UHFFFAOYSA-N 1 3 232.331 2.045 20 0 BEADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N(C)C)CCO1 ZINC000697824950 964546581 /nfs/dbraw/zinc/54/65/81/964546581.db2.gz DKGLEQFJOPLZNX-RDBSUJKOSA-N 1 3 242.407 2.120 20 0 BEADHO CCC[C@H](C)C[NH2+]CC[C@@H](C)N(C)C ZINC000697871973 964600130 /nfs/dbraw/zinc/60/01/30/964600130.db2.gz QGNXHFGYLYAAOF-NWDGAFQWSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@@H](CC[NH2+]CC1CCCCC1)N(C)C ZINC000697878821 964602967 /nfs/dbraw/zinc/60/29/67/964602967.db2.gz MIINVJFSJKYKFU-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccsc1C[NH2+]CC[C@H](C)N(C)C ZINC000697888964 964639607 /nfs/dbraw/zinc/63/96/07/964639607.db2.gz JXVPATZDHHQHOJ-NSHDSACASA-N 1 3 226.389 2.486 20 0 BEADHO C[C@@H](N[C@@H](C)c1cscn1)C1CC[NH2+]CC1 ZINC000697892764 964652584 /nfs/dbraw/zinc/65/25/84/964652584.db2.gz QTYXYHZGBUOPDO-ZJUUUORDSA-N 1 3 239.388 2.182 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](Nc2cccc(N)n2)[C@@H](C)C1 ZINC001163365412 965368967 /nfs/dbraw/zinc/36/89/67/965368967.db2.gz ZVKAJMURYHKZIO-RYUDHWBXSA-N 1 3 248.374 2.195 20 0 BEADHO CC(C)[N@H+]1CC[C@H](Nc2cccc(N)n2)[C@@H](C)C1 ZINC001163365412 965368983 /nfs/dbraw/zinc/36/89/83/965368983.db2.gz ZVKAJMURYHKZIO-RYUDHWBXSA-N 1 3 248.374 2.195 20 0 BEADHO COC1(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)CCC1 ZINC000715202149 965951010 /nfs/dbraw/zinc/95/10/10/965951010.db2.gz NKDDMZPTKKPWIG-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@@]3(N)C2)c1 ZINC001235167063 966021615 /nfs/dbraw/zinc/02/16/15/966021615.db2.gz YBHMQSOMPBTSJW-LSDHHAIUSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@H]3C[C@@]3(N)C2)c1 ZINC001235167063 966021629 /nfs/dbraw/zinc/02/16/29/966021629.db2.gz YBHMQSOMPBTSJW-LSDHHAIUSA-N 1 3 230.355 2.227 20 0 BEADHO N[C@@H]1[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001235209513 966029765 /nfs/dbraw/zinc/02/97/65/966029765.db2.gz AXYWWWAZLVSHCG-ZSHCYNCHSA-N 1 3 244.382 2.288 20 0 BEADHO N[C@@H]1[C@H]2C[N@H+](CCCCCc3ccccc3)C[C@H]21 ZINC001235209513 966029782 /nfs/dbraw/zinc/02/97/82/966029782.db2.gz AXYWWWAZLVSHCG-ZSHCYNCHSA-N 1 3 244.382 2.288 20 0 BEADHO CCCCCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959473 966177867 /nfs/dbraw/zinc/17/78/67/966177867.db2.gz QAYPAFKUOHWDEZ-CLLJXQQHSA-N 1 3 210.365 2.236 20 0 BEADHO CC1=C[C@@H](C)[C@H](CN2CC(C)(C[NH3+])C2)CC1 ZINC001206711326 966196987 /nfs/dbraw/zinc/19/69/87/966196987.db2.gz IOANHGYCDOROCD-OLZOCXBDSA-N 1 3 222.376 2.259 20 0 BEADHO CC1=C[C@@H](C)[C@H](C[NH+]2CC(C)(CN)C2)CC1 ZINC001206711326 966196990 /nfs/dbraw/zinc/19/69/90/966196990.db2.gz IOANHGYCDOROCD-OLZOCXBDSA-N 1 3 222.376 2.259 20 0 BEADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCNC1CC1 ZINC000136085590 966373548 /nfs/dbraw/zinc/37/35/48/966373548.db2.gz BPMBZLJZZDIQJM-WCQYABFASA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1CC[C@H](C)[N@H+]1CCCNC1CC1 ZINC000136085590 966373562 /nfs/dbraw/zinc/37/35/62/966373562.db2.gz BPMBZLJZZDIQJM-WCQYABFASA-N 1 3 210.365 2.391 20 0 BEADHO COc1ccc(CCC[N@@H+]2CC[C@](C)(N)C2)cc1 ZINC001204763459 967152305 /nfs/dbraw/zinc/15/23/05/967152305.db2.gz LERXZHVEZWPGMM-HNNXBMFYSA-N 1 3 248.370 2.051 20 0 BEADHO COc1ccc(CCC[N@H+]2CC[C@](C)(N)C2)cc1 ZINC001204763459 967152315 /nfs/dbraw/zinc/15/23/15/967152315.db2.gz LERXZHVEZWPGMM-HNNXBMFYSA-N 1 3 248.370 2.051 20 0 BEADHO C[C@H]1CC[C@@H](C[NH3+])N1CCCc1ccccc1 ZINC001205058318 967315755 /nfs/dbraw/zinc/31/57/55/967315755.db2.gz JMFZLVPBOZWZMU-ZFWWWQNUSA-N 1 3 232.371 2.431 20 0 BEADHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc2[nH]ccc21 ZINC001205064485 967319088 /nfs/dbraw/zinc/31/90/88/967319088.db2.gz QFJSTCXWODSJKP-AAEUAGOBSA-N 1 3 243.354 2.480 20 0 BEADHO CC1(C)C[C@H](C[N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001205088987 967340228 /nfs/dbraw/zinc/34/02/28/967340228.db2.gz VABXLTBZTJSZLW-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@H](C[N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001205088987 967340237 /nfs/dbraw/zinc/34/02/37/967340237.db2.gz VABXLTBZTJSZLW-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@@H+]1CCCc1cccc(F)c1 ZINC001205171773 967411809 /nfs/dbraw/zinc/41/18/09/967411809.db2.gz YJPIRVYQNGZFQO-BXUZGUMPSA-N 1 3 236.334 2.180 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@H+]1CCCc1cccc(F)c1 ZINC001205171773 967411813 /nfs/dbraw/zinc/41/18/13/967411813.db2.gz YJPIRVYQNGZFQO-BXUZGUMPSA-N 1 3 236.334 2.180 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCO[C@H]1C)N1CCCCC1 ZINC001205391624 967611178 /nfs/dbraw/zinc/61/11/78/967611178.db2.gz QQSACBFYNBHVBA-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CCN[C@@H]1CCO[C@H]1C)[NH+]1CCCCC1 ZINC001205391624 967611195 /nfs/dbraw/zinc/61/11/95/967611195.db2.gz QQSACBFYNBHVBA-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCC(C)(C)C ZINC001205902203 967874576 /nfs/dbraw/zinc/87/45/76/967874576.db2.gz IPVCJWQKXORWNY-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCC(C)(C)C ZINC001205902203 967874579 /nfs/dbraw/zinc/87/45/79/967874579.db2.gz IPVCJWQKXORWNY-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CSC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000697057583 967989634 /nfs/dbraw/zinc/98/96/34/967989634.db2.gz KWAZJWHEHODNFS-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO N[C@@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165545 968093675 /nfs/dbraw/zinc/09/36/75/968093675.db2.gz NZLBXCQVXDDXJB-WDEREUQCSA-N 1 3 228.336 2.009 20 0 BEADHO N[C@@H]1CC[N@@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165545 968093692 /nfs/dbraw/zinc/09/36/92/968093692.db2.gz NZLBXCQVXDDXJB-WDEREUQCSA-N 1 3 228.336 2.009 20 0 BEADHO CC/C=C\CCCN1CCC[NH2+]C[C@@H]1C ZINC001206257886 968174395 /nfs/dbraw/zinc/17/43/95/968174395.db2.gz LPLOPVUNIVMEJI-ZFDPJTLLSA-N 1 3 210.365 2.417 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)CCc1ccncc1 ZINC001207285182 968715713 /nfs/dbraw/zinc/71/57/13/968715713.db2.gz BQVYZNDOUAKXTE-UHFFFAOYSA-N 1 3 249.402 2.144 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1ccncc1 ZINC001207285182 968715720 /nfs/dbraw/zinc/71/57/20/968715720.db2.gz BQVYZNDOUAKXTE-UHFFFAOYSA-N 1 3 249.402 2.144 20 0 BEADHO CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001207836121 968897480 /nfs/dbraw/zinc/89/74/80/968897480.db2.gz GUTOINZQDWKYHI-REWJHTLYSA-N 1 3 224.392 2.495 20 0 BEADHO CC[NH+]1CCC(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001208592302 969145677 /nfs/dbraw/zinc/14/56/77/969145677.db2.gz HIYRMEPPADRBLZ-IHRRRGAJSA-N 1 3 240.366 2.008 20 0 BEADHO CC[NH+]1CCC(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001208592308 969145724 /nfs/dbraw/zinc/14/57/24/969145724.db2.gz HIYRMEPPADRBLZ-MELADBBJSA-N 1 3 240.366 2.008 20 0 BEADHO CC[C@@H](C)C[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404927 969158747 /nfs/dbraw/zinc/15/87/47/969158747.db2.gz KEBGYXXMWIKAPH-AGIUHOORSA-N 1 3 244.423 2.150 20 0 BEADHO CC[C@@H](C)C[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404927 969158755 /nfs/dbraw/zinc/15/87/55/969158755.db2.gz KEBGYXXMWIKAPH-AGIUHOORSA-N 1 3 244.423 2.150 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405126 969160885 /nfs/dbraw/zinc/16/08/85/969160885.db2.gz PUAZBVKZNLITND-OLZOCXBDSA-N 1 3 244.423 2.150 20 0 BEADHO CC(C)CC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405126 969160890 /nfs/dbraw/zinc/16/08/90/969160890.db2.gz PUAZBVKZNLITND-OLZOCXBDSA-N 1 3 244.423 2.150 20 0 BEADHO CCCN1C[C@@H]2C[NH+](CCC3CC3)C[C@H]2C1 ZINC001208687128 969195596 /nfs/dbraw/zinc/19/55/96/969195596.db2.gz PRRQCDORRIQYAU-ZIAGYGMSSA-N 1 3 222.376 2.060 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)n1C ZINC001169090177 969410205 /nfs/dbraw/zinc/41/02/05/969410205.db2.gz ICUHNMGOUVOPHY-ZSOGYDGISA-N 1 3 247.386 2.048 20 0 BEADHO CN1CCC[C@H]([N@H+](C)Cc2cccc(O)c2)CC1 ZINC001254517359 969700552 /nfs/dbraw/zinc/70/05/52/969700552.db2.gz UZWKDUJESJBDDH-AWEZNQCLSA-N 1 3 248.370 2.308 20 0 BEADHO CN1CCC[C@H]([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC001254517359 969700558 /nfs/dbraw/zinc/70/05/58/969700558.db2.gz UZWKDUJESJBDDH-AWEZNQCLSA-N 1 3 248.370 2.308 20 0 BEADHO CCC[N@H+](CCCN)C1Cc2ccccc2C1 ZINC001255011928 969841981 /nfs/dbraw/zinc/84/19/81/969841981.db2.gz HBSUYABCNUSASP-UHFFFAOYSA-N 1 3 232.371 2.215 20 0 BEADHO CCC[N@@H+](CCCN)C1Cc2ccccc2C1 ZINC001255011928 969841985 /nfs/dbraw/zinc/84/19/85/969841985.db2.gz HBSUYABCNUSASP-UHFFFAOYSA-N 1 3 232.371 2.215 20 0 BEADHO Cc1c2[nH]cnc2ccc1N(C)C(C)(C)C[NH3+] ZINC001170058913 970107751 /nfs/dbraw/zinc/10/77/51/970107751.db2.gz HPLAHGGCAXNCKC-UHFFFAOYSA-N 1 3 232.331 2.045 20 0 BEADHO C[NH2+]Cc1ccc(Nc2ccncc2C)cc1 ZINC001211127455 970156590 /nfs/dbraw/zinc/15/65/90/970156590.db2.gz IUGTUNFBQXWXJX-UHFFFAOYSA-N 1 3 227.311 2.275 20 0 BEADHO C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCN2C)C1 ZINC001170114039 970330626 /nfs/dbraw/zinc/33/06/26/970330626.db2.gz ZTNXAKBDJYQRAY-RWMBFGLXSA-N 1 3 210.365 2.249 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001170159240 970487476 /nfs/dbraw/zinc/48/74/76/970487476.db2.gz RTQGBAPBCMRDDT-APIJFGDWSA-N 1 3 236.403 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001170159240 970487485 /nfs/dbraw/zinc/48/74/85/970487485.db2.gz RTQGBAPBCMRDDT-APIJFGDWSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)N(C)C[C@@H](C)C[NH3+] ZINC001255864634 970527872 /nfs/dbraw/zinc/52/78/72/970527872.db2.gz JEIANTKMEYWNCZ-NWDGAFQWSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](C)CN ZINC001255864634 970527876 /nfs/dbraw/zinc/52/78/76/970527876.db2.gz JEIANTKMEYWNCZ-NWDGAFQWSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](C)CN ZINC001255864634 970527887 /nfs/dbraw/zinc/52/78/87/970527887.db2.gz JEIANTKMEYWNCZ-NWDGAFQWSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@]1(C[N@@H+]2CC[C@H](C3CC3)C2)CCCNC1 ZINC000400055897 970543738 /nfs/dbraw/zinc/54/37/38/970543738.db2.gz ZAJAARUDNBEZBL-KBPBESRZSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@]1(C[N@H+]2CC[C@H](C3CC3)C2)CCCNC1 ZINC000400055897 970543745 /nfs/dbraw/zinc/54/37/45/970543745.db2.gz ZAJAARUDNBEZBL-KBPBESRZSA-N 1 3 222.376 2.108 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NC1CC(F)C1 ZINC001255940595 970568866 /nfs/dbraw/zinc/56/88/66/970568866.db2.gz DWCNAPJHOLCWNE-UNXYVOJBSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C1CC(F)C1 ZINC001255940595 970568900 /nfs/dbraw/zinc/56/89/00/970568900.db2.gz DWCNAPJHOLCWNE-UNXYVOJBSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccncc1 ZINC001255939737 970573152 /nfs/dbraw/zinc/57/31/52/970573152.db2.gz INTVIRGWSKGCIV-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccncc1 ZINC001255939737 970573157 /nfs/dbraw/zinc/57/31/57/970573157.db2.gz INTVIRGWSKGCIV-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCCCCCO ZINC001255943657 970578321 /nfs/dbraw/zinc/57/83/21/970578321.db2.gz PPOUGFNDVYFKCF-AWEZNQCLSA-N 1 3 244.423 2.249 20 0 BEADHO [NH3+][C@@H]1C[C@H]1N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108785 970661652 /nfs/dbraw/zinc/66/16/52/970661652.db2.gz OLGHKPYFRNKGNL-BYNSBNAKSA-N 1 3 230.355 2.402 20 0 BEADHO C[NH+]1CCC(N[C@H]2CCc3ccc(F)cc32)CC1 ZINC001256196843 970690461 /nfs/dbraw/zinc/69/04/61/970690461.db2.gz ZAWYUBAULPLVQT-HNNXBMFYSA-N 1 3 248.345 2.497 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H]2CO[C@H](C)C2)CC1 ZINC000401965169 970752999 /nfs/dbraw/zinc/75/29/99/970752999.db2.gz DGXWBQAENHEHDK-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CC[C@H](CN)C[N@@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594970 973002071 /nfs/dbraw/zinc/00/20/71/973002071.db2.gz WWVVEEDDQJDVLW-KSTCHIGDSA-N 1 3 236.403 2.480 20 0 BEADHO C[C@@H]1CC[C@H](CN)C[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594970 973002094 /nfs/dbraw/zinc/00/20/94/973002094.db2.gz WWVVEEDDQJDVLW-KSTCHIGDSA-N 1 3 236.403 2.480 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH+]1CC2(CNC2)C1 ZINC001246616106 973034137 /nfs/dbraw/zinc/03/41/37/973034137.db2.gz YDNAESMJCWAJDZ-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO CCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660527 973076411 /nfs/dbraw/zinc/07/64/11/973076411.db2.gz UWBIDIIGXDPMIA-WUHRBBMRSA-N 1 3 210.365 2.234 20 0 BEADHO CCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660527 973076427 /nfs/dbraw/zinc/07/64/27/973076427.db2.gz UWBIDIIGXDPMIA-WUHRBBMRSA-N 1 3 210.365 2.234 20 0 BEADHO CC1(C)CCC[C@H]([N@H+]2C[C@H]3CNCC[C@@H]3C2)C1 ZINC001246848421 973147345 /nfs/dbraw/zinc/14/73/45/973147345.db2.gz VIAJSSHAJFGBNE-MCIONIFRSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC[C@H]([N@@H+]2C[C@H]3CNCC[C@@H]3C2)C1 ZINC001246848421 973147358 /nfs/dbraw/zinc/14/73/58/973147358.db2.gz VIAJSSHAJFGBNE-MCIONIFRSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 ZINC001246846544 973147601 /nfs/dbraw/zinc/14/76/01/973147601.db2.gz OOBXKTQTQUVPOR-QWHCGFSZSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 ZINC001246846544 973147619 /nfs/dbraw/zinc/14/76/19/973147619.db2.gz OOBXKTQTQUVPOR-QWHCGFSZSA-N 1 3 236.403 2.497 20 0 BEADHO CN1C(C)(C)CC([NH2+]C2CC2)CC1(C)C ZINC001171617695 974112551 /nfs/dbraw/zinc/11/25/51/974112551.db2.gz PQRHJVHYBOKMNH-UHFFFAOYSA-N 1 3 210.365 2.390 20 0 BEADHO C[C@@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172106281 974365346 /nfs/dbraw/zinc/36/53/46/974365346.db2.gz OUWSTKBOCHXQDI-FVCCEPFGSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106281 974365357 /nfs/dbraw/zinc/36/53/57/974365357.db2.gz OUWSTKBOCHXQDI-FVCCEPFGSA-N 1 3 248.374 2.091 20 0 BEADHO CC[C@@H](C)OCC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001172327059 974535736 /nfs/dbraw/zinc/53/57/36/974535736.db2.gz CQBGYWPLZCMOAO-CHWSQXEVSA-N 1 3 242.407 2.393 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001172327060 974537542 /nfs/dbraw/zinc/53/75/42/974537542.db2.gz CQBGYWPLZCMOAO-OLZOCXBDSA-N 1 3 242.407 2.393 20 0 BEADHO CCCN(CCC[NH+](C)C)[C@H]1COC(C)(C)C1 ZINC001172295211 974566520 /nfs/dbraw/zinc/56/65/20/974566520.db2.gz QYDWJSGJXCHHNR-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCC[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001172447467 974810135 /nfs/dbraw/zinc/81/01/35/974810135.db2.gz IHOPEHQWXLYPJK-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3)[C@@H]2C1 ZINC001204089098 974865244 /nfs/dbraw/zinc/86/52/44/974865244.db2.gz KSBIZZKVSZCIAG-ZNMIVQPWSA-N 1 3 230.355 2.116 20 0 BEADHO CC[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278793 975235201 /nfs/dbraw/zinc/23/52/01/975235201.db2.gz FPGXTCFGWRPXFZ-LJISPDSOSA-N 1 3 236.403 2.449 20 0 BEADHO CC[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278793 975235207 /nfs/dbraw/zinc/23/52/07/975235207.db2.gz FPGXTCFGWRPXFZ-LJISPDSOSA-N 1 3 236.403 2.449 20 0 BEADHO CCSC[C@@H](C)NCCC[NH+](CC)CC ZINC001173284605 975244812 /nfs/dbraw/zinc/24/48/12/975244812.db2.gz HVIRZTCTVFKCFP-GFCCVEGCSA-N 1 3 232.437 2.450 20 0 BEADHO CCSC[C@@H](C)[NH2+]CCCN(CC)CC ZINC001173284605 975244821 /nfs/dbraw/zinc/24/48/21/975244821.db2.gz HVIRZTCTVFKCFP-GFCCVEGCSA-N 1 3 232.437 2.450 20 0 BEADHO CN1CCC=C(Nc2ccc(C[NH+](C)C)cc2)C1 ZINC001175576764 977592122 /nfs/dbraw/zinc/59/21/22/977592122.db2.gz SQCLEPNLTPGCOQ-UHFFFAOYSA-N 1 3 245.370 2.380 20 0 BEADHO CCC[N@H+](CCOC)Cc1cc2cnccc2[nH]1 ZINC001232011431 977840142 /nfs/dbraw/zinc/84/01/42/977840142.db2.gz KIEYBSYBTZEPPC-UHFFFAOYSA-N 1 3 247.342 2.421 20 0 BEADHO CCC[N@@H+](CCOC)Cc1cc2cnccc2[nH]1 ZINC001232011431 977840147 /nfs/dbraw/zinc/84/01/47/977840147.db2.gz KIEYBSYBTZEPPC-UHFFFAOYSA-N 1 3 247.342 2.421 20 0 BEADHO CC/C=C\CCCN1CC[NH2+]C[C@@H](C)C1 ZINC001206269519 978013499 /nfs/dbraw/zinc/01/34/99/978013499.db2.gz POKNZHHJIQSWKS-DSYXLKISSA-N 1 3 210.365 2.274 20 0 BEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccncc1 ZINC001336908695 978050095 /nfs/dbraw/zinc/05/00/95/978050095.db2.gz GVRINRUBFFVBER-GXTWGEPZSA-N 1 3 231.343 2.145 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1CCC[C@H](OC)C1 ZINC000069846601 978763189 /nfs/dbraw/zinc/76/31/89/978763189.db2.gz QBEYDSJLKQOUCJ-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1CCC[C@H](OC)C1 ZINC000069846601 978763192 /nfs/dbraw/zinc/76/31/92/978763192.db2.gz QBEYDSJLKQOUCJ-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@H+](CC1(c3ccccc3)CC1)C2 ZINC001235165246 978985868 /nfs/dbraw/zinc/98/58/68/978985868.db2.gz HRGVVALZWGQDCK-GOEBONIOSA-N 1 3 242.366 2.141 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@@H+](CC1(c3ccccc3)CC1)C2 ZINC001235165246 978985873 /nfs/dbraw/zinc/98/58/73/978985873.db2.gz HRGVVALZWGQDCK-GOEBONIOSA-N 1 3 242.366 2.141 20 0 BEADHO C[C@@H]1C[C@H]1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235176296 978989178 /nfs/dbraw/zinc/98/91/78/978989178.db2.gz ZYZGNYNNUMFXQZ-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235210330 979001163 /nfs/dbraw/zinc/00/11/63/979001163.db2.gz XXZBUSFFINEQTL-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@@H](C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001235210330 979001169 /nfs/dbraw/zinc/00/11/69/979001169.db2.gz XXZBUSFFINEQTL-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283252 979016935 /nfs/dbraw/zinc/01/69/35/979016935.db2.gz LUBSBRGFOTUZPH-FVCCEPFGSA-N 1 3 210.365 2.092 20 0 BEADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283252 979016941 /nfs/dbraw/zinc/01/69/41/979016941.db2.gz LUBSBRGFOTUZPH-FVCCEPFGSA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235410499 979041145 /nfs/dbraw/zinc/04/11/45/979041145.db2.gz YGCVCCVTOMHDNB-KGLIPLIRSA-N 1 3 242.382 2.446 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235410499 979041150 /nfs/dbraw/zinc/04/11/50/979041150.db2.gz YGCVCCVTOMHDNB-KGLIPLIRSA-N 1 3 242.382 2.446 20 0 BEADHO C(C[N@@H+]1C[C@H]2CC[C@@H](C1)NC2)C1CCCC1 ZINC001236059363 979349842 /nfs/dbraw/zinc/34/98/42/979349842.db2.gz GOPBURCXRVSBEE-KBPBESRZSA-N 1 3 222.376 2.251 20 0 BEADHO C(C[N@H+]1C[C@H]2CC[C@@H](C1)NC2)C1CCCC1 ZINC001236059363 979349849 /nfs/dbraw/zinc/34/98/49/979349849.db2.gz GOPBURCXRVSBEE-KBPBESRZSA-N 1 3 222.376 2.251 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060421 979354431 /nfs/dbraw/zinc/35/44/31/979354431.db2.gz QDVLEQTXOQYKFW-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060421 979354437 /nfs/dbraw/zinc/35/44/37/979354437.db2.gz QDVLEQTXOQYKFW-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCNCC[C@H]2C)c1 ZINC000085622244 979523734 /nfs/dbraw/zinc/52/37/34/979523734.db2.gz WQWHVXXTMISHCS-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCNCC[C@H]2C)c1 ZINC000085622244 979523742 /nfs/dbraw/zinc/52/37/42/979523742.db2.gz WQWHVXXTMISHCS-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@]1([NH3+])CCCN(CCc2ccccc2)CC1 ZINC001205257162 979754908 /nfs/dbraw/zinc/75/49/08/979754908.db2.gz SWFAARYPYKHJKR-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO Cc1c[nH]c(CN2CCC[C@@](C)([NH3+])CC2)c1C ZINC001205273675 979839141 /nfs/dbraw/zinc/83/91/41/979839141.db2.gz OGIZQSACSGNWLG-CQSZACIVSA-N 1 3 235.375 2.335 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184386308 980057291 /nfs/dbraw/zinc/05/72/91/980057291.db2.gz BRKGZNJAWKPDFQ-HTVCTNPSSA-N 1 3 224.392 2.351 20 0 BEADHO Cc1ccc(C[N@H+]2CCNCC[C@H]2C)c(C)c1 ZINC001205325959 980196644 /nfs/dbraw/zinc/19/66/44/980196644.db2.gz SINPSFUUTVPWCI-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C[N@@H+]2CCNCC[C@H]2C)c(C)c1 ZINC001205325959 980196651 /nfs/dbraw/zinc/19/66/51/980196651.db2.gz SINPSFUUTVPWCI-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO CN1CC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203790213 981598747 /nfs/dbraw/zinc/59/87/47/981598747.db2.gz OTXQJRPCLPVCAP-UHFFFAOYSA-N 1 3 248.345 2.353 20 0 BEADHO C[NH+]1CC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC001203790213 981598757 /nfs/dbraw/zinc/59/87/57/981598757.db2.gz OTXQJRPCLPVCAP-UHFFFAOYSA-N 1 3 248.345 2.353 20 0 BEADHO CN1CCC=C(c2cccc(C3([NH3+])CC3)c2)C1 ZINC001241569941 982818506 /nfs/dbraw/zinc/81/85/06/982818506.db2.gz DBADREPTLVYNRE-UHFFFAOYSA-N 1 3 228.339 2.353 20 0 BEADHO Fc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408210 982942670 /nfs/dbraw/zinc/94/26/70/982942670.db2.gz INAOTRDGMAUPPL-ZDUSSCGKSA-N 1 3 248.345 2.400 20 0 BEADHO CN(C)Cc1cncc(-c2ccc(C[NH3+])cc2)c1 ZINC001241915479 983134390 /nfs/dbraw/zinc/13/43/90/983134390.db2.gz YVQPNEIUSAYGQK-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO CN(C)Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242022535 983232606 /nfs/dbraw/zinc/23/26/06/983232606.db2.gz WXMZUSPLIOSPAH-KGLIPLIRSA-N 1 3 243.354 2.051 20 0 BEADHO CC(C)C[NH+]1CCC(N(C)C2CC2)CC1 ZINC001201478307 983280553 /nfs/dbraw/zinc/28/05/53/983280553.db2.gz GGZQUMXNJZCYSW-UHFFFAOYSA-N 1 3 210.365 2.201 20 0 BEADHO CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587732 983349894 /nfs/dbraw/zinc/34/98/94/983349894.db2.gz XFDKMCLDPCNZCF-CVEARBPZSA-N 1 3 244.382 2.460 20 0 BEADHO CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001201587732 983349903 /nfs/dbraw/zinc/34/99/03/983349903.db2.gz XFDKMCLDPCNZCF-CVEARBPZSA-N 1 3 244.382 2.460 20 0 BEADHO CCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001201723273 983428065 /nfs/dbraw/zinc/42/80/65/983428065.db2.gz VGPQEBAWRANZQX-UHFFFAOYSA-N 1 3 233.359 2.312 20 0 BEADHO CN1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001202178232 983588289 /nfs/dbraw/zinc/58/82/89/983588289.db2.gz OYUPSNSDOIAYJB-UHFFFAOYSA-N 1 3 222.376 2.204 20 0 BEADHO CN(C)c1ccnc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242673458 984040425 /nfs/dbraw/zinc/04/04/25/984040425.db2.gz BTVRVQLHKQBGPB-UHFFFAOYSA-N 1 3 239.322 2.418 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C/c1cccc(F)c1 ZINC001576105049 984150391 /nfs/dbraw/zinc/15/03/91/984150391.db2.gz NABOXLZEIKFCAG-LJRGRFNSSA-N 1 3 222.307 2.164 20 0 BEADHO CCC[N@H+](CCCN(C)C)Cc1ccc[nH]1 ZINC001204011006 984170961 /nfs/dbraw/zinc/17/09/61/984170961.db2.gz VCXPYBUJYOUEEM-UHFFFAOYSA-N 1 3 223.364 2.178 20 0 BEADHO CCC[N@@H+](CCCN(C)C)Cc1ccc[nH]1 ZINC001204011006 984170971 /nfs/dbraw/zinc/17/09/71/984170971.db2.gz VCXPYBUJYOUEEM-UHFFFAOYSA-N 1 3 223.364 2.178 20 0 BEADHO C[C@H]1CCC(C)(C)C[C@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576647941 984179822 /nfs/dbraw/zinc/17/98/22/984179822.db2.gz VPPVAFJXEUYUTN-NNYUYHANSA-N 1 3 210.365 2.281 20 0 BEADHO CC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275084979 984477163 /nfs/dbraw/zinc/47/71/63/984477163.db2.gz KBQCMRLTZBXRLT-OKILXGFUSA-N 1 3 247.386 2.178 20 0 BEADHO CC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275084979 984477172 /nfs/dbraw/zinc/47/71/72/984477172.db2.gz KBQCMRLTZBXRLT-OKILXGFUSA-N 1 3 247.386 2.178 20 0 BEADHO C1=C(c2cccc(C3=NCCC3)c2)C[NH2+]C1 ZINC001243110587 984570012 /nfs/dbraw/zinc/57/00/12/984570012.db2.gz BTEUBPCUZBIRAG-UHFFFAOYSA-N 1 3 212.296 2.256 20 0 BEADHO CC(C)C[NH2+]Cc1cc2c(s1)CCNC2 ZINC000688038066 985505964 /nfs/dbraw/zinc/50/59/64/985505964.db2.gz HWZHHEKVHLLJHY-UHFFFAOYSA-N 1 3 224.373 2.139 20 0 BEADHO COCC1(C[NH2+]CC(C)(C)CN)CCCCC1 ZINC001578982990 985604681 /nfs/dbraw/zinc/60/46/81/985604681.db2.gz VHTYMJLBVZMODA-UHFFFAOYSA-N 1 3 242.407 2.158 20 0 BEADHO NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000688370554 985626168 /nfs/dbraw/zinc/62/61/68/985626168.db2.gz HNHYNMRSJHDYLZ-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000688370554 985626184 /nfs/dbraw/zinc/62/61/84/985626184.db2.gz HNHYNMRSJHDYLZ-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CCCC2CCC2)C1 ZINC000688370554 985626188 /nfs/dbraw/zinc/62/61/88/985626188.db2.gz HNHYNMRSJHDYLZ-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@@H]1CCCC[N@H+](CCCc2cccnc2)C1 ZINC001206607142 985957390 /nfs/dbraw/zinc/95/73/90/985957390.db2.gz WOAHOUZQWWIUBN-HNNXBMFYSA-N 1 3 247.386 2.075 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](CCCc2cccnc2)C1 ZINC001206607142 985957410 /nfs/dbraw/zinc/95/74/10/985957410.db2.gz WOAHOUZQWWIUBN-HNNXBMFYSA-N 1 3 247.386 2.075 20 0 BEADHO [NH3+]C[C@@H]1CCCCN(CCCc2cccnc2)C1 ZINC001206607142 985957432 /nfs/dbraw/zinc/95/74/32/985957432.db2.gz WOAHOUZQWWIUBN-HNNXBMFYSA-N 1 3 247.386 2.075 20 0 BEADHO Cc1ccc(CCN(C)C2CC([NH3+])C2)cc1C ZINC001579685303 986176796 /nfs/dbraw/zinc/17/67/96/986176796.db2.gz JFFVRGMSDYVVJT-UHFFFAOYSA-N 1 3 232.371 2.267 20 0 BEADHO C[NH2+]Cc1cccc(-c2ccnc(CN)c2)c1F ZINC001244861611 986405049 /nfs/dbraw/zinc/40/50/49/986405049.db2.gz JNDVAACZVSPIRU-UHFFFAOYSA-N 1 3 245.301 2.066 20 0 BEADHO F[C@@]1(c2ccccc2)C[C@@H]1NCC1CC[NH2+]CC1 ZINC001580026278 986427477 /nfs/dbraw/zinc/42/74/77/986427477.db2.gz BJEWLFCTGLFALQ-LSDHHAIUSA-N 1 3 248.345 2.213 20 0 BEADHO Fc1cccc(C2CC([NH2+]C[C@H]3CCN3)C2)c1 ZINC001580033733 986435366 /nfs/dbraw/zinc/43/53/66/986435366.db2.gz ZSPNHTVFQDGNQN-HRDQMINSSA-N 1 3 234.318 2.023 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)[C@@H]2C1 ZINC001462674639 986500258 /nfs/dbraw/zinc/50/02/58/986500258.db2.gz YXXHIYMLCXKQJR-GCSSGZNBSA-N 1 3 248.414 2.495 20 0 BEADHO C[C@]1(C[N@@H+]2CCC[C@@H](CCF)C2)CCCNC1 ZINC000689421673 986579119 /nfs/dbraw/zinc/57/91/19/986579119.db2.gz MGZCUYDGDYBFFS-KBPBESRZSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@]1(C[N@H+]2CCC[C@@H](CCF)C2)CCCNC1 ZINC000689421673 986579122 /nfs/dbraw/zinc/57/91/22/986579122.db2.gz MGZCUYDGDYBFFS-KBPBESRZSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@H]1CN([C@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516814 986657461 /nfs/dbraw/zinc/65/74/61/986657461.db2.gz QAYPYOGYXZBCRG-RYUDHWBXSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H]1CN([C@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516814 986657466 /nfs/dbraw/zinc/65/74/66/986657466.db2.gz QAYPYOGYXZBCRG-RYUDHWBXSA-N 1 3 246.345 2.448 20 0 BEADHO [NH3+]CC1(CN2CC(Cc3ccccc3)C2)CCC1 ZINC001580243493 986698775 /nfs/dbraw/zinc/69/87/75/986698775.db2.gz ILTLAKDHEDQEIT-UHFFFAOYSA-N 1 3 244.382 2.290 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccn1C1CC1 ZINC001580262196 986720712 /nfs/dbraw/zinc/72/07/12/986720712.db2.gz QJSJNSUNWJUCON-SWLSCSKDSA-N 1 3 247.386 2.430 20 0 BEADHO [NH3+]CCCN1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001580298693 986738383 /nfs/dbraw/zinc/73/83/83/986738383.db2.gz YIRRYLTWRHGKKN-CQSZACIVSA-N 1 3 248.370 2.138 20 0 BEADHO NCCC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001580298693 986738391 /nfs/dbraw/zinc/73/83/91/986738391.db2.gz YIRRYLTWRHGKKN-CQSZACIVSA-N 1 3 248.370 2.138 20 0 BEADHO NCCC[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001580298693 986738401 /nfs/dbraw/zinc/73/84/01/986738401.db2.gz YIRRYLTWRHGKKN-CQSZACIVSA-N 1 3 248.370 2.138 20 0 BEADHO Cc1cc(C)c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)[nH]1 ZINC001137323926 986773497 /nfs/dbraw/zinc/77/34/97/986773497.db2.gz DAEBLUOZRNFUME-KGLIPLIRSA-N 1 3 247.386 2.015 20 0 BEADHO Cc1cc(C)c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)[nH]1 ZINC001137323926 986773506 /nfs/dbraw/zinc/77/35/06/986773506.db2.gz DAEBLUOZRNFUME-KGLIPLIRSA-N 1 3 247.386 2.015 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCn1cccc1 ZINC001255940350 987077397 /nfs/dbraw/zinc/07/73/97/987077397.db2.gz ABMUICMSEUXQGO-CQSZACIVSA-N 1 3 237.391 2.198 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCCn1cccc1 ZINC001255940350 987077409 /nfs/dbraw/zinc/07/74/09/987077409.db2.gz ABMUICMSEUXQGO-CQSZACIVSA-N 1 3 237.391 2.198 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@H](C)S1 ZINC000697059076 987347495 /nfs/dbraw/zinc/34/74/95/987347495.db2.gz WMHVRXFLUFJBDV-XQQFMLRXSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H](CC[NH2+]CC1(C)CCCC1)N(C)C ZINC000697823886 987364805 /nfs/dbraw/zinc/36/48/05/987364805.db2.gz JLKXBZPTDOUSQC-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1cccc2c1CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246077153 987367602 /nfs/dbraw/zinc/36/76/02/987367602.db2.gz HBSXLURXZKCPHL-HNNXBMFYSA-N 1 3 244.382 2.194 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246080743 987377358 /nfs/dbraw/zinc/37/73/58/987377358.db2.gz JQASRWZKMWPGNU-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO CC[C@@H]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087704 987390197 /nfs/dbraw/zinc/39/01/97/987390197.db2.gz ZWXHGLQAHREZNT-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CNC[C@@H]1C ZINC001246105666 987432680 /nfs/dbraw/zinc/43/26/80/987432680.db2.gz BZPHTLXVGIGPLH-CYDGBPFRSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CNC[C@@H]1C ZINC001246113521 987450185 /nfs/dbraw/zinc/45/01/85/987450185.db2.gz BZPHTLXVGIGPLH-MROQNXINSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)C1CCC([NH2+]C2CC(N)C2)CC1 ZINC001246116769 987458075 /nfs/dbraw/zinc/45/80/75/987458075.db2.gz WTCWKBFHLHNFJS-UHFFFAOYSA-N 1 3 210.365 2.281 20 0 BEADHO Cc1ccc(CCC[NH2+]C2CCNCC2)s1 ZINC001246130027 987475180 /nfs/dbraw/zinc/47/51/80/987475180.db2.gz RFWICZIBKAXUPY-UHFFFAOYSA-N 1 3 238.400 2.331 20 0 BEADHO C1CC12CNC[C@H]2[NH2+]C1CCCCCCC1 ZINC001246131459 987484640 /nfs/dbraw/zinc/48/46/40/987484640.db2.gz KCRBWNYESLJRAY-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO CCCCC[C@H](CC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246133004 987489859 /nfs/dbraw/zinc/48/98/59/987489859.db2.gz HJRPPYGSWWLJNJ-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147115 987502158 /nfs/dbraw/zinc/50/21/58/987502158.db2.gz LBHJASKSCWHGJJ-VJTDZRGJSA-N 1 3 224.392 2.399 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147116 987503064 /nfs/dbraw/zinc/50/30/64/987503064.db2.gz LBHJASKSCWHGJJ-XGFWRYKXSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCN[C@H](C)C2)s1 ZINC001246167112 987529545 /nfs/dbraw/zinc/52/95/45/987529545.db2.gz CQPHSZFBPKWITB-ZYHUDNBSSA-N 1 3 238.400 2.329 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccs2)CCN1 ZINC001246171510 987536255 /nfs/dbraw/zinc/53/62/55/987536255.db2.gz WHLQINKITSLFKF-NEPJUHHUSA-N 1 3 238.400 2.411 20 0 BEADHO C(CC1CCCC1)N[C@H]1CCCC[NH2+]C1 ZINC001246179027 987550005 /nfs/dbraw/zinc/55/00/05/987550005.db2.gz YUILCPZZELWISP-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO CC[C@@H]1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC001246181658 987555450 /nfs/dbraw/zinc/55/54/50/987555450.db2.gz WUXLKDWZZARFLX-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CC(CC(C)C)NC[C@@H]1CC[NH2+]1 ZINC001246192245 987579596 /nfs/dbraw/zinc/57/95/96/987579596.db2.gz GTRSZNYPZKRYLT-LBPRGKRZSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232779 987628820 /nfs/dbraw/zinc/62/88/20/987628820.db2.gz ZRSXQOGTKRSLIJ-QMVSFRDZSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246263634 987660810 /nfs/dbraw/zinc/66/08/10/987660810.db2.gz KHETVUGRBYWJAI-UQOMUDLDSA-N 1 3 230.355 2.273 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(O)cc1 ZINC001246272961 987666300 /nfs/dbraw/zinc/66/63/00/987666300.db2.gz NCCXSMJIDDZPCC-OUCADQQQSA-N 1 3 248.370 2.226 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283663 987678597 /nfs/dbraw/zinc/67/85/97/987678597.db2.gz XENXYSUKPLCSPY-JUDXGUMMSA-N 1 3 248.345 2.412 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283665 987679908 /nfs/dbraw/zinc/67/99/08/987679908.db2.gz XENXYSUKPLCSPY-QPKOPYBWSA-N 1 3 248.345 2.412 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(N)cc1 ZINC001246291271 987681100 /nfs/dbraw/zinc/68/11/00/987681100.db2.gz TUHWTVFAMJHBHK-SUNKGSAMSA-N 1 3 233.359 2.060 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCc2cccc(F)c2C1 ZINC001246303265 987700576 /nfs/dbraw/zinc/70/05/76/987700576.db2.gz FSFRIJWRAPYGFN-JQWIXIFHSA-N 1 3 236.334 2.010 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccc(C)cc1 ZINC001246315111 987720387 /nfs/dbraw/zinc/72/03/87/987720387.db2.gz HFYGSEBLQLLDDY-TZMCWYRMSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)CCN1 ZINC001246332556 987737186 /nfs/dbraw/zinc/73/71/86/987737186.db2.gz NHYSUHWANAFJHT-UKRRQHHQSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@@H]1C[C@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246332556 987737193 /nfs/dbraw/zinc/73/71/93/987737193.db2.gz NHYSUHWANAFJHT-UKRRQHHQSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCCCCCCO)CCN1 ZINC001246340596 987747574 /nfs/dbraw/zinc/74/75/74/987747574.db2.gz IWBZJKRDZQPOMG-ZIAGYGMSSA-N 1 3 242.407 2.049 20 0 BEADHO C[NH2+]CC[C@H](C)NC[C@@H]1CCc2ccccc2N1 ZINC001246353175 987760637 /nfs/dbraw/zinc/76/06/37/987760637.db2.gz QDQHLWMNCZIWBJ-JSGCOSHPSA-N 1 3 247.386 2.001 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246358634 987769056 /nfs/dbraw/zinc/76/90/56/987769056.db2.gz GAZAVGXSJNBHAV-WUHRBBMRSA-N 1 3 210.365 2.295 20 0 BEADHO C[NH2+]CC[C@@H](C)NCCc1ccc2[nH]ccc2c1 ZINC001246365276 987770205 /nfs/dbraw/zinc/77/02/05/987770205.db2.gz OXHJCIWVTZOCSF-GFCCVEGCSA-N 1 3 245.370 2.298 20 0 BEADHO C[NH2+]CC[C@H](C)NCCc1ccc2[nH]ccc2c1 ZINC001246365279 987773195 /nfs/dbraw/zinc/77/31/95/987773195.db2.gz OXHJCIWVTZOCSF-LBPRGKRZSA-N 1 3 245.370 2.298 20 0 BEADHO C[C@@H]1CC[C@@H](NCC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375753 987774432 /nfs/dbraw/zinc/77/44/32/987774432.db2.gz KNQJXEZLICRUOB-MLGOLLRUSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246378643 987777308 /nfs/dbraw/zinc/77/73/08/987777308.db2.gz XXVHFXVHSSFDOW-BLLLJJGKSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396419 987784494 /nfs/dbraw/zinc/78/44/94/987784494.db2.gz ZQABMZRUPMOBFC-JQWIXIFHSA-N 1 3 210.365 2.295 20 0 BEADHO CCCC[C@H](CCC)[NH2+][C@@H]1CC12CNC2 ZINC001246444277 987801506 /nfs/dbraw/zinc/80/15/06/987801506.db2.gz JUZZDLDQXSYVRS-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC12CNC2 ZINC001246445289 987802182 /nfs/dbraw/zinc/80/21/82/987802182.db2.gz NSVMTLAYDUHRQA-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC[C@@H](CCC)[NH2+][C@H]1CC12CNC2 ZINC001246444276 987803333 /nfs/dbraw/zinc/80/33/33/987803333.db2.gz JUZZDLDQXSYVRS-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CNC3)CC(C)(C)C1 ZINC001246446374 987806317 /nfs/dbraw/zinc/80/63/17/987806317.db2.gz RVUOZNJFFHKOGN-UTUOFQBUSA-N 1 3 222.376 2.153 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCc3c(C)cccc3C2)C1 ZINC001246461610 987820788 /nfs/dbraw/zinc/82/07/88/987820788.db2.gz NNFVKQZKIDPQQP-RBSFLKMASA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@H](N[C@@H]2CCc3c(C)cccc3C2)C1 ZINC001246461610 987820790 /nfs/dbraw/zinc/82/07/90/987820790.db2.gz NNFVKQZKIDPQQP-RBSFLKMASA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@H](N[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246462417 987822593 /nfs/dbraw/zinc/82/25/93/987822593.db2.gz RLYQEELPIZHYRM-QEJZJMRPSA-N 1 3 232.371 2.266 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246462417 987822599 /nfs/dbraw/zinc/82/25/99/987822599.db2.gz RLYQEELPIZHYRM-QEJZJMRPSA-N 1 3 232.371 2.266 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246493607 987848146 /nfs/dbraw/zinc/84/81/46/987848146.db2.gz ILPDFIFQCOYMSG-MLGHIDQZSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC001246499075 987854656 /nfs/dbraw/zinc/85/46/56/987854656.db2.gz SBAIVIGAKZCHDU-TXEJJXNPSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246526266 987877537 /nfs/dbraw/zinc/87/75/37/987877537.db2.gz ADDBXTDCFWNIJW-AGIUHOORSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246526266 987877545 /nfs/dbraw/zinc/87/75/45/987877545.db2.gz ADDBXTDCFWNIJW-AGIUHOORSA-N 1 3 228.380 2.003 20 0 BEADHO CCCCCC[C@@H](C)N1CCO[C@H](CC[NH3+])C1 ZINC001246536660 987894719 /nfs/dbraw/zinc/89/47/19/987894719.db2.gz VULAOWJBJXVVDT-ZIAGYGMSSA-N 1 3 242.407 2.395 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546412 987924618 /nfs/dbraw/zinc/92/46/18/987924618.db2.gz MVOGMSJDLZNJJX-CRWXNKLISA-N 1 3 242.407 2.392 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001118019116 987985853 /nfs/dbraw/zinc/98/58/53/987985853.db2.gz NSQJKOPJRWRGCU-HNNXBMFYSA-N 1 3 232.371 2.248 20 0 BEADHO CSC(C)(C)C[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569030 988042059 /nfs/dbraw/zinc/04/20/59/988042059.db2.gz UQJRYHFFWGSONC-GMTAPVOTSA-N 1 3 230.421 2.186 20 0 BEADHO C[C@@H](Cc1ccccn1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246592529 988179807 /nfs/dbraw/zinc/17/98/07/988179807.db2.gz KBGCQTOZJRHHAP-KBPBESRZSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccccn1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246592529 988179809 /nfs/dbraw/zinc/17/98/09/988179809.db2.gz KBGCQTOZJRHHAP-KBPBESRZSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccccn1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246592529 988179814 /nfs/dbraw/zinc/17/98/14/988179814.db2.gz KBGCQTOZJRHHAP-KBPBESRZSA-N 1 3 247.386 2.073 20 0 BEADHO CC1(CN)C[NH+](C2CCCCCCC2)C1 ZINC001246603435 988216036 /nfs/dbraw/zinc/21/60/36/988216036.db2.gz YLXKXWYWRKULCG-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO CC1(C[NH3+])CN(C2CCCCCCC2)C1 ZINC001246603435 988216047 /nfs/dbraw/zinc/21/60/47/988216047.db2.gz YLXKXWYWRKULCG-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO CSCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246609746 988227701 /nfs/dbraw/zinc/22/77/01/988227701.db2.gz NAGCSMWTWLXONL-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CSCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246609746 988227722 /nfs/dbraw/zinc/22/77/22/988227722.db2.gz NAGCSMWTWLXONL-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CCOCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246613408 988241323 /nfs/dbraw/zinc/24/13/23/988241323.db2.gz ZDXWKRBGOBWYOT-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246613408 988241337 /nfs/dbraw/zinc/24/13/37/988241337.db2.gz ZDXWKRBGOBWYOT-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCCC[C@@H](CCC)[NH+]1CC2(CNC2)C1 ZINC001246611217 988242838 /nfs/dbraw/zinc/24/28/38/988242838.db2.gz BBHMJIZRQRQFRL-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H](CC1CC1)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246613397 988243670 /nfs/dbraw/zinc/24/36/70/988243670.db2.gz YWYDPKQYAJYZID-OCCSQVGLSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CC1CC1)[N@H+]1CCC[C@]12CCCNC2 ZINC001246613397 988243694 /nfs/dbraw/zinc/24/36/94/988243694.db2.gz YWYDPKQYAJYZID-OCCSQVGLSA-N 1 3 222.376 2.393 20 0 BEADHO CCOCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246613405 988243880 /nfs/dbraw/zinc/24/38/80/988243880.db2.gz ZDXWKRBGOBWYOT-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246613405 988243912 /nfs/dbraw/zinc/24/39/12/988243912.db2.gz ZDXWKRBGOBWYOT-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629656 988302761 /nfs/dbraw/zinc/30/27/61/988302761.db2.gz FQPZPGIEUVFHPP-QNWHQSFQSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629656 988302778 /nfs/dbraw/zinc/30/27/78/988302778.db2.gz FQPZPGIEUVFHPP-QNWHQSFQSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246633725 988319412 /nfs/dbraw/zinc/31/94/12/988319412.db2.gz LXMAQSREJVZZSX-GRYCIOLGSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246633725 988319427 /nfs/dbraw/zinc/31/94/27/988319427.db2.gz LXMAQSREJVZZSX-GRYCIOLGSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246633725 988319440 /nfs/dbraw/zinc/31/94/40/988319440.db2.gz LXMAQSREJVZZSX-GRYCIOLGSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246638516 988340479 /nfs/dbraw/zinc/34/04/79/988340479.db2.gz LXMAQSREJVZZSX-IJLUTSLNSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246638516 988340492 /nfs/dbraw/zinc/34/04/92/988340492.db2.gz LXMAQSREJVZZSX-IJLUTSLNSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246638516 988340496 /nfs/dbraw/zinc/34/04/96/988340496.db2.gz LXMAQSREJVZZSX-IJLUTSLNSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246647146 988366052 /nfs/dbraw/zinc/36/60/52/988366052.db2.gz ZEYVORMFGNMNBC-XHJNMGKDSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H]1C ZINC001246647146 988366066 /nfs/dbraw/zinc/36/60/66/988366066.db2.gz ZEYVORMFGNMNBC-XHJNMGKDSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H]1C ZINC001246647146 988366078 /nfs/dbraw/zinc/36/60/78/988366078.db2.gz ZEYVORMFGNMNBC-XHJNMGKDSA-N 1 3 222.376 2.247 20 0 BEADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246657456 988387377 /nfs/dbraw/zinc/38/73/77/988387377.db2.gz MHCHQAMZUXPSLY-MQYQWHSLSA-N 1 3 224.392 2.480 20 0 BEADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246657456 988387390 /nfs/dbraw/zinc/38/73/90/988387390.db2.gz MHCHQAMZUXPSLY-MQYQWHSLSA-N 1 3 224.392 2.480 20 0 BEADHO C[C@@H]1C[C@@H](N2CC[C@@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246774105 988453789 /nfs/dbraw/zinc/45/37/89/988453789.db2.gz COTYVIFTYIEHGP-YUELXQCFSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](c3ccncc3)C2)CCN1 ZINC001246774105 988453793 /nfs/dbraw/zinc/45/37/93/988453793.db2.gz COTYVIFTYIEHGP-YUELXQCFSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](c3ccncc3)C2)CCN1 ZINC001246774105 988453798 /nfs/dbraw/zinc/45/37/98/988453798.db2.gz COTYVIFTYIEHGP-YUELXQCFSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@@H](N2CC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790774 988466829 /nfs/dbraw/zinc/46/68/29/988466829.db2.gz HMDUONJATYGBMD-YUELXQCFSA-N 1 3 245.370 2.011 20 0 BEADHO CCCOC1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246788743 988467279 /nfs/dbraw/zinc/46/72/79/988467279.db2.gz ILBKGFYXUYPZJH-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO CCCOC1CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC001246788743 988467284 /nfs/dbraw/zinc/46/72/84/988467284.db2.gz ILBKGFYXUYPZJH-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1C[C@H](N2CC[C@@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790549 988468452 /nfs/dbraw/zinc/46/84/52/988468452.db2.gz HMDUONJATYGBMD-BPLDGKMQSA-N 1 3 245.370 2.011 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246792890 988469910 /nfs/dbraw/zinc/46/99/10/988469910.db2.gz RXNBDZDMGAVEAG-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246792890 988469916 /nfs/dbraw/zinc/46/99/16/988469916.db2.gz RXNBDZDMGAVEAG-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CC[C@@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246792890 988469924 /nfs/dbraw/zinc/46/99/24/988469924.db2.gz RXNBDZDMGAVEAG-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246842541 988545386 /nfs/dbraw/zinc/54/53/86/988545386.db2.gz CIJQFELMXXOATR-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246842541 988545390 /nfs/dbraw/zinc/54/53/90/988545390.db2.gz CIJQFELMXXOATR-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H](C)C1 ZINC001246867366 988618804 /nfs/dbraw/zinc/61/88/04/988618804.db2.gz OEVQJGQZKMAOAK-AIEDFZFUSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C)NC2)C2(CC2)C1 ZINC001246893434 988656971 /nfs/dbraw/zinc/65/69/71/988656971.db2.gz KUHBMHPBTLFWDA-TUAOUCFPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C)NC2)C2(CC2)C1 ZINC001246893434 988656979 /nfs/dbraw/zinc/65/69/79/988656979.db2.gz KUHBMHPBTLFWDA-TUAOUCFPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895961 988671480 /nfs/dbraw/zinc/67/14/80/988671480.db2.gz RKWFQJWLQWPNCK-UTUOFQBUSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895961 988671483 /nfs/dbraw/zinc/67/14/83/988671483.db2.gz RKWFQJWLQWPNCK-UTUOFQBUSA-N 1 3 208.349 2.001 20 0 BEADHO CC(C)C1CCC(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246950372 988784921 /nfs/dbraw/zinc/78/49/21/988784921.db2.gz WZLOFXMWJMVQMX-QSCRHYGLSA-N 1 3 236.403 2.351 20 0 BEADHO C[C@@H]1C[C@@H](N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246951118 988785284 /nfs/dbraw/zinc/78/52/84/988785284.db2.gz ZPUXOAYWKXMCEZ-POQQGIQPSA-N 1 3 236.403 2.351 20 0 BEADHO CC(C)CCC[C@@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947499 988786464 /nfs/dbraw/zinc/78/64/64/988786464.db2.gz LETQSPRTROQNEE-MQYQWHSLSA-N 1 3 224.392 2.351 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)CSC(C)(C)C ZINC001325743317 989250694 /nfs/dbraw/zinc/25/06/94/989250694.db2.gz LBMNBQSDHQHNJB-QWRGUYRKSA-N 1 3 232.437 2.352 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)CCC2 ZINC001326459424 989569823 /nfs/dbraw/zinc/56/98/23/989569823.db2.gz OIUNSCVMIMNJSE-NEPJUHHUSA-N 1 3 232.371 2.391 20 0 BEADHO c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC001120860691 989932511 /nfs/dbraw/zinc/93/25/11/989932511.db2.gz RDCPVTOUBRPDLI-AWEZNQCLSA-N 1 3 231.343 2.146 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC4(CCC4)C3)[C@H]2C1 ZINC001308983730 991252666 /nfs/dbraw/zinc/25/26/66/991252666.db2.gz AVYILQVSOFLQMX-UBHSHLNASA-N 1 3 234.387 2.249 20 0 BEADHO COc1ccc(CC[C@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001258393483 991346062 /nfs/dbraw/zinc/34/60/62/991346062.db2.gz TVGDBMFKVFRLLJ-XGNXJENSSA-N 1 3 248.370 2.096 20 0 BEADHO COc1ccc(CC[C@H](C)NC2CC([NH3+])C2)cc1 ZINC001258393483 991346069 /nfs/dbraw/zinc/34/60/69/991346069.db2.gz TVGDBMFKVFRLLJ-XGNXJENSSA-N 1 3 248.370 2.096 20 0 BEADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601152 991508828 /nfs/dbraw/zinc/50/88/28/991508828.db2.gz QHHIWLOWSILSNZ-HZSPNIEDSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001258601152 991508838 /nfs/dbraw/zinc/50/88/38/991508838.db2.gz QHHIWLOWSILSNZ-HZSPNIEDSA-N 1 3 236.403 2.449 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3)[C@@H]2C1 ZINC001560623368 991523726 /nfs/dbraw/zinc/52/37/26/991523726.db2.gz VGELHERJRJSIJZ-NWANDNLSSA-N 1 3 248.345 2.256 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[NH2+]C1CC(N)C1 ZINC001258650725 991585442 /nfs/dbraw/zinc/58/54/42/991585442.db2.gz BUSYIXUUDLWSQH-SLTAFYQDSA-N 1 3 232.371 2.477 20 0 BEADHO CCC[C@@H](Cc1ccccc1)NC1CC([NH3+])C1 ZINC001258650725 991585454 /nfs/dbraw/zinc/58/54/54/991585454.db2.gz BUSYIXUUDLWSQH-SLTAFYQDSA-N 1 3 232.371 2.477 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)NCc1ccno1 ZINC001258897989 991891983 /nfs/dbraw/zinc/89/19/83/991891983.db2.gz QPIWNLNVOPTEOH-LBPRGKRZSA-N 1 3 239.363 2.275 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2cc(C)ccc21 ZINC001261423936 992296988 /nfs/dbraw/zinc/29/69/88/992296988.db2.gz JBEAKDVOAZDMPV-SWLSCSKDSA-N 1 3 232.371 2.427 20 0 BEADHO C[N@@H+]1CC[C@H](NC/C=C/C2CC2)CC1(C)C ZINC001261789258 992509284 /nfs/dbraw/zinc/50/92/84/992509284.db2.gz XYVJRJNCWOSORV-IHVVCDCBSA-N 1 3 222.376 2.415 20 0 BEADHO C[N@H+]1CC[C@H](NC/C=C/C2CC2)CC1(C)C ZINC001261789258 992509291 /nfs/dbraw/zinc/50/92/91/992509291.db2.gz XYVJRJNCWOSORV-IHVVCDCBSA-N 1 3 222.376 2.415 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C1 ZINC001474757050 992522856 /nfs/dbraw/zinc/52/28/56/992522856.db2.gz OTAHFWVGBKLQIC-XQQFMLRXSA-N 1 3 224.392 2.352 20 0 BEADHO C1=C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[NH2+]C1 ZINC001574774690 992903578 /nfs/dbraw/zinc/90/35/78/992903578.db2.gz PFUYORRKZXLQMX-HZSPNIEDSA-N 1 3 220.360 2.169 20 0 BEADHO CC(C)C1CC(N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1 ZINC001575499649 993060046 /nfs/dbraw/zinc/06/00/46/993060046.db2.gz VLXYKDYKQXCJJK-XPXVYLNCSA-N 1 3 224.392 2.397 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001576102170 993180609 /nfs/dbraw/zinc/18/06/09/993180609.db2.gz CBCVUDYRJWBFGG-NEPJUHHUSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]1CC([N@@H+]2CCCC[C@@H](CN)C2)C[C@@H](C)O1 ZINC000379928234 993299673 /nfs/dbraw/zinc/29/96/73/993299673.db2.gz TVMHHFDHKHFVSX-UPJWGTAASA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC([N@H+]2CCCC[C@@H](CN)C2)C[C@@H](C)O1 ZINC000379928234 993299686 /nfs/dbraw/zinc/29/96/86/993299686.db2.gz TVMHHFDHKHFVSX-UPJWGTAASA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H]1CC(C)(C)C[N@@H+]1CCCNC1CC1 ZINC001576590141 993354589 /nfs/dbraw/zinc/35/45/89/993354589.db2.gz ZDJIAUAKLMTLSY-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC(C)(C)C[N@H+]1CCCNC1CC1 ZINC001576590141 993354592 /nfs/dbraw/zinc/35/45/92/993354592.db2.gz ZDJIAUAKLMTLSY-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC(C)(C)CN1CCC[NH2+]C1CC1 ZINC001576590141 993354596 /nfs/dbraw/zinc/35/45/96/993354596.db2.gz ZDJIAUAKLMTLSY-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576588579 993357984 /nfs/dbraw/zinc/35/79/84/993357984.db2.gz BUKAKPVVHFVGJM-YFKTTZPYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001576648383 993383938 /nfs/dbraw/zinc/38/39/38/993383938.db2.gz YLNXSWLIRCAFNO-HUXGKSLCSA-N 1 3 222.376 2.294 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000382356216 993444677 /nfs/dbraw/zinc/44/46/77/993444677.db2.gz IJGQKTAKXYVQMR-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO CCC(C)(C)OCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001576948418 993461516 /nfs/dbraw/zinc/46/15/16/993461516.db2.gz PWANKMBNMWVHSD-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO CCOc1cccc(CNCCC(C)(C)[NH3+])c1 ZINC000383744108 993514259 /nfs/dbraw/zinc/51/42/59/993514259.db2.gz CURQCSYQWKVPGL-UHFFFAOYSA-N 1 3 236.359 2.302 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@@H]1CCC[NH2+][C@H]1C ZINC000384501864 993596229 /nfs/dbraw/zinc/59/62/29/993596229.db2.gz XGZFJQHKJRMXJW-AGIUHOORSA-N 1 3 236.359 2.188 20 0 BEADHO CCCCOc1ccccc1CNC/C=C\C[NH3+] ZINC001577473285 993669750 /nfs/dbraw/zinc/66/97/50/993669750.db2.gz VAGAEEAYQJVNSW-SREVYHEPSA-N 1 3 248.370 2.470 20 0 BEADHO CC(C)(C)CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000389740154 993764747 /nfs/dbraw/zinc/76/47/47/993764747.db2.gz VPCWOGZOTXRWRF-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CC[N@H+]1CCCC[C@@H](CN)C1 ZINC000389740154 993764759 /nfs/dbraw/zinc/76/47/59/993764759.db2.gz VPCWOGZOTXRWRF-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO [NH3+]C[C@H]1CCCCN(CCCC(F)(F)F)C1 ZINC000390495848 993793365 /nfs/dbraw/zinc/79/33/65/993793365.db2.gz RFFXGKREZDHTBX-SNVBAGLBSA-N 1 3 238.297 2.390 20 0 BEADHO [NH3+][C@H]1CCCN(CCCc2ccccc2)CC1 ZINC000393181012 993911489 /nfs/dbraw/zinc/91/14/89/993911489.db2.gz BUHYVEYYJDCCCG-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1 ZINC000821987593 994417944 /nfs/dbraw/zinc/41/79/44/994417944.db2.gz FKPLGBWADRRZNP-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC/C=C\C2CC2)C1 ZINC001334742628 994627796 /nfs/dbraw/zinc/62/77/96/994627796.db2.gz JQTRFVOKYMMJLA-SCOBNMCVSA-N 1 3 222.376 2.320 20 0 BEADHO CC(C)CC[NH2+]CCCN1CCCCC1 ZINC000020128739 1170143527 /nfs/dbraw/zinc/14/35/27/1170143527.db2.gz BZZCVTJYXRYGLF-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO Cc1ccccc1CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001621551825 1170845055 /nfs/dbraw/zinc/84/50/55/1170845055.db2.gz SHASLSPMCZNBSH-MRXNPFEDSA-N 1 3 244.382 2.426 20 0 BEADHO Cc1ccccc1C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001621551825 1170845063 /nfs/dbraw/zinc/84/50/63/1170845063.db2.gz SHASLSPMCZNBSH-MRXNPFEDSA-N 1 3 244.382 2.426 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC34CCC4)[C@@H]2C1 ZINC001621570235 1170857316 /nfs/dbraw/zinc/85/73/16/1170857316.db2.gz NZOXIQQEMNPGEH-RFQIPJPRSA-N 1 3 234.387 2.249 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001621570545 1170861432 /nfs/dbraw/zinc/86/14/32/1170861432.db2.gz WYYBWVJIZJGHDY-PEBLQZBPSA-N 1 3 222.376 2.105 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001621570547 1170860119 /nfs/dbraw/zinc/86/01/19/1170860119.db2.gz WYYBWVJIZJGHDY-XHJNMGKDSA-N 1 3 222.376 2.105 20 0 BEADHO Cc1cccc(CC[N@H+]2CCNC[C@@H](C)C2)c1 ZINC000051670991 1171909142 /nfs/dbraw/zinc/90/91/42/1171909142.db2.gz AUZHUQHRUBGPHH-CQSZACIVSA-N 1 3 232.371 2.079 20 0 BEADHO Cc1cccc(CC[N@@H+]2CCNC[C@@H](C)C2)c1 ZINC000051670991 1171909149 /nfs/dbraw/zinc/90/91/49/1171909149.db2.gz AUZHUQHRUBGPHH-CQSZACIVSA-N 1 3 232.371 2.079 20 0 BEADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](CN)C1 ZINC000300932631 349452596 /nfs/dbraw/zinc/45/25/96/349452596.db2.gz NYEIBRCAASJISC-OLZOCXBDSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](CN)C1 ZINC000300932631 349452598 /nfs/dbraw/zinc/45/25/98/349452598.db2.gz NYEIBRCAASJISC-OLZOCXBDSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](CN)C1 ZINC000300932633 349452721 /nfs/dbraw/zinc/45/27/21/349452721.db2.gz NYEIBRCAASJISC-QWHCGFSZSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](CN)C1 ZINC000300932633 349452722 /nfs/dbraw/zinc/45/27/22/349452722.db2.gz NYEIBRCAASJISC-QWHCGFSZSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@]1(C[NH2+]C(C2CC2)C2CC2)CCCNC1 ZINC000062862636 349493496 /nfs/dbraw/zinc/49/34/96/349493496.db2.gz KAFKHUJZGKPLKD-CQSZACIVSA-N 1 3 222.376 2.154 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@H]1C ZINC000301012147 349516136 /nfs/dbraw/zinc/51/61/36/349516136.db2.gz YZIPOXSYKJSEMR-YNEHKIRRSA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N)C[C@H]1C ZINC000301012147 349516138 /nfs/dbraw/zinc/51/61/38/349516138.db2.gz YZIPOXSYKJSEMR-YNEHKIRRSA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000301012147 349516141 /nfs/dbraw/zinc/51/61/41/349516141.db2.gz YZIPOXSYKJSEMR-YNEHKIRRSA-N 1 3 212.381 2.480 20 0 BEADHO Cc1ccoc1CN[C@H](C)C1CC[NH+](C)CC1 ZINC000380031763 398180442 /nfs/dbraw/zinc/18/04/42/398180442.db2.gz GPBMSCHXMORHOL-GFCCVEGCSA-N 1 3 236.359 2.408 20 0 BEADHO Cc1ccccc1OCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422943961 398160330 /nfs/dbraw/zinc/16/03/30/398160330.db2.gz LSNUCHAEAFPQTP-KGLIPLIRSA-N 1 3 248.370 2.091 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000423021289 398161926 /nfs/dbraw/zinc/16/19/26/398161926.db2.gz BPAJCQQKFLNXGJ-GXFFZTMASA-N 1 3 233.359 2.298 20 0 BEADHO C[C@H](CCCc1cccnc1)N[C@@H]1CCC[NH2+]C1 ZINC000415119066 398163763 /nfs/dbraw/zinc/16/37/63/398163763.db2.gz YOQMJUFBZLVJKX-UKRRQHHQSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C1C(C)(C)C1(C)C ZINC000423233164 398165338 /nfs/dbraw/zinc/16/53/38/398165338.db2.gz JIBRNIHBPCBFJL-MNOVXSKESA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc3c2CCNC3)[C@H]1C ZINC000386302701 398205112 /nfs/dbraw/zinc/20/51/12/398205112.db2.gz VRPBRQCVSJMVGW-WQGACYEGSA-N 1 3 244.382 2.466 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)CC(F)F ZINC000647801220 398207756 /nfs/dbraw/zinc/20/77/56/398207756.db2.gz RPGXYIBZMATDBU-GARJFASQSA-N 1 3 234.334 2.385 20 0 BEADHO [NH3+]C[C@H]1CN(CCC2CCCCC2)CCCO1 ZINC000313384185 398213624 /nfs/dbraw/zinc/21/36/24/398213624.db2.gz QWRQQNLKAIJEAX-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO Cc1ccc(CCCN(C)CC(C)(C)C[NH3+])cn1 ZINC000339405899 187330168 /nfs/dbraw/zinc/33/01/68/187330168.db2.gz DCPVPSBZSHADSH-UHFFFAOYSA-N 1 3 249.402 2.239 20 0 BEADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](C)N ZINC000649414280 398212955 /nfs/dbraw/zinc/21/29/55/398212955.db2.gz PUXZLDXFCYEOHQ-TZMCWYRMSA-N 1 3 247.386 2.064 20 0 BEADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H](C)N ZINC000649414280 398212956 /nfs/dbraw/zinc/21/29/56/398212956.db2.gz PUXZLDXFCYEOHQ-TZMCWYRMSA-N 1 3 247.386 2.064 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000584242205 398221749 /nfs/dbraw/zinc/22/17/49/398221749.db2.gz KYONCADIZWHUNZ-KGLIPLIRSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)c1cccnc1 ZINC000584242205 398221751 /nfs/dbraw/zinc/22/17/51/398221751.db2.gz KYONCADIZWHUNZ-KGLIPLIRSA-N 1 3 247.386 2.219 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)c2ccccc21 ZINC000252790957 136226898 /nfs/dbraw/zinc/22/68/98/136226898.db2.gz SWEPYNYPJLXDLL-DFBGVHRSSA-N 1 3 246.354 2.290 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)C2CCCCC2)CCN1 ZINC000229539128 538939589 /nfs/dbraw/zinc/93/95/89/538939589.db2.gz PZHBMFMTNTYDNX-DGCLKSJQSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)C2CCCCC2)CCN1 ZINC000229539128 538939590 /nfs/dbraw/zinc/93/95/90/538939590.db2.gz PZHBMFMTNTYDNX-DGCLKSJQSA-N 1 3 210.365 2.391 20 0 BEADHO Cc1cc([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)no1 ZINC000333893847 178255431 /nfs/dbraw/zinc/25/54/31/178255431.db2.gz YROOBKCGEOCFRD-ZDEQEGDKSA-N 1 3 249.358 2.022 20 0 BEADHO CCC(CC)C[NH2+]C[C@H](C)CN(C)C ZINC000308590181 168361367 /nfs/dbraw/zinc/36/13/67/168361367.db2.gz UVUKFPXSZYNRPP-NSHDSACASA-N 1 3 200.370 2.210 20 0 BEADHO CCC(CC)C[NH2+]C[C@H]1CCN(CC)C1 ZINC000037484203 168361959 /nfs/dbraw/zinc/36/19/59/168361959.db2.gz RYZVBBIRIGTSLU-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)NCCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000576694690 365658632 /nfs/dbraw/zinc/65/86/32/365658632.db2.gz MSHXZBIVKSFWLE-RYUDHWBXSA-N 1 3 212.381 2.399 20 0 BEADHO CCC[C@@H](C[NH2+]CCCN(C)C(C)C)OC ZINC000385947784 398262861 /nfs/dbraw/zinc/26/28/61/398262861.db2.gz CDKXWGUFIIFSRO-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO c1cc(C[NH2+][C@@H]2CCCSC2)cc2c1CNC2 ZINC000335065008 136232556 /nfs/dbraw/zinc/23/25/56/136232556.db2.gz ZQQXNAZFLISIHE-CQSZACIVSA-N 1 3 248.395 2.275 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624124197 346853510 /nfs/dbraw/zinc/85/35/10/346853510.db2.gz ZSSHLMDDESGQDW-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](Cc1ccsc1)NCC[C@H]1CCC[NH2+]1 ZINC000519349505 488178312 /nfs/dbraw/zinc/17/83/12/488178312.db2.gz HNKUQBWLBRSNJA-WCQYABFASA-N 1 3 238.400 2.411 20 0 BEADHO CCC(CC)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077324 168389008 /nfs/dbraw/zinc/38/90/08/168389008.db2.gz BHGMLSNUJZCATK-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]1C[C@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC000197532336 539012409 /nfs/dbraw/zinc/01/24/09/539012409.db2.gz YJADHPWJQNQDBK-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO CCCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000233034781 342894161 /nfs/dbraw/zinc/89/41/61/342894161.db2.gz IUFFVMRGJQZGMO-VXGBXAGGSA-N 1 3 210.365 2.426 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 ZINC000233089436 342894915 /nfs/dbraw/zinc/89/49/15/342894915.db2.gz RNHRJRVJKBCELJ-NWDGAFQWSA-N 1 3 210.365 2.426 20 0 BEADHO CC[C@H](c1ccccc1)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313350935 259333720 /nfs/dbraw/zinc/33/37/20/259333720.db2.gz LDLYUAKFCZJNSB-LSDHHAIUSA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@H](c1ccccc1)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313350935 259333721 /nfs/dbraw/zinc/33/37/21/259333721.db2.gz LDLYUAKFCZJNSB-LSDHHAIUSA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@H](c1ccccc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313350935 259333723 /nfs/dbraw/zinc/33/37/23/259333723.db2.gz LDLYUAKFCZJNSB-LSDHHAIUSA-N 1 3 248.370 2.187 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000235170943 342988249 /nfs/dbraw/zinc/98/82/49/342988249.db2.gz KQYHCJBEQRIMEK-VXGBXAGGSA-N 1 3 230.421 2.379 20 0 BEADHO C[C@H]1C[NH+](Cc2ccc3c(c2)CNCC3)C[C@@H]1C ZINC000211967356 343017292 /nfs/dbraw/zinc/01/72/92/343017292.db2.gz RSSAORPTRDZZSI-STQMWFEESA-N 1 3 244.382 2.420 20 0 BEADHO CC(C)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336702785 187231167 /nfs/dbraw/zinc/23/11/67/187231167.db2.gz QBWIBCNBQQWSCN-FKJOKYEKSA-N 1 3 210.365 2.294 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000236327367 343091723 /nfs/dbraw/zinc/09/17/23/343091723.db2.gz OEGYZXMAGRTABU-NWDGAFQWSA-N 1 3 208.349 2.036 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000308846771 346924224 /nfs/dbraw/zinc/92/42/24/346924224.db2.gz LPLUATDLUAEKDU-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000093210095 343151182 /nfs/dbraw/zinc/15/11/82/343151182.db2.gz MJSZYFRIPVKXIC-HUUCEWRRSA-N 1 3 232.371 2.479 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000093209413 343151281 /nfs/dbraw/zinc/15/12/81/343151281.db2.gz AUUPBNPVJDPSPD-KBPBESRZSA-N 1 3 236.334 2.228 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(F)cc2)C1 ZINC000093209413 343151283 /nfs/dbraw/zinc/15/12/83/343151283.db2.gz AUUPBNPVJDPSPD-KBPBESRZSA-N 1 3 236.334 2.228 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000094183062 343152524 /nfs/dbraw/zinc/15/25/24/343152524.db2.gz AOPJMCQKPRLAMH-CABCVRRESA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccccc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000094183062 343152525 /nfs/dbraw/zinc/15/25/25/343152525.db2.gz AOPJMCQKPRLAMH-CABCVRRESA-N 1 3 232.371 2.397 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000123990589 343166709 /nfs/dbraw/zinc/16/67/09/343166709.db2.gz UDCYSSTZDPOBOQ-IUCAKERBSA-N 1 3 224.270 2.188 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H]1CCC[NH2+]CC1 ZINC000168737567 343210607 /nfs/dbraw/zinc/21/06/07/343210607.db2.gz IDHUHLLPSVGBJJ-YPMHNXCESA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCNCC1 ZINC000168737567 343210608 /nfs/dbraw/zinc/21/06/08/343210608.db2.gz IDHUHLLPSVGBJJ-YPMHNXCESA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000082491016 136276676 /nfs/dbraw/zinc/27/66/76/136276676.db2.gz RBZPORVMSMJMKQ-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@H+](CC1CCCC1)C[C@H]1CCCNC1 ZINC000082492409 136276786 /nfs/dbraw/zinc/27/67/86/136276786.db2.gz GAZHKTJRXXRCKO-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@@H+](CC1CCCC1)C[C@H]1CCCNC1 ZINC000082492409 136276787 /nfs/dbraw/zinc/27/67/87/136276787.db2.gz GAZHKTJRXXRCKO-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO COC[C@H]([NH2+][C@H]1C[C@H](N)c2ccccc21)C(C)C ZINC000132145734 343187627 /nfs/dbraw/zinc/18/76/27/343187627.db2.gz QLNLWLKGTYEBDZ-KKUMJFAQSA-N 1 3 248.370 2.392 20 0 BEADHO CCN(CC)CCC[NH2+]C1CCSCC1 ZINC000035120804 343285351 /nfs/dbraw/zinc/28/53/51/343285351.db2.gz FBWXXFVBCMWIBH-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO CCC1([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000335626660 136299734 /nfs/dbraw/zinc/29/97/34/136299734.db2.gz VYUCOWCTGSNKEO-NWDGAFQWSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000335626660 136299735 /nfs/dbraw/zinc/29/97/35/136299735.db2.gz VYUCOWCTGSNKEO-NWDGAFQWSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000335626660 136299736 /nfs/dbraw/zinc/29/97/36/136299736.db2.gz VYUCOWCTGSNKEO-NWDGAFQWSA-N 1 3 208.349 2.145 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CC[C@H](C(C)C)C1 ZINC000166313070 136345475 /nfs/dbraw/zinc/34/54/75/136345475.db2.gz QERJDOVKCVVVFU-STQMWFEESA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccccc1 ZINC000275296921 187339070 /nfs/dbraw/zinc/33/90/70/187339070.db2.gz PMTQEFRTNMTHJU-ZFWWWQNUSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccccc1 ZINC000275296921 187339072 /nfs/dbraw/zinc/33/90/72/187339072.db2.gz PMTQEFRTNMTHJU-ZFWWWQNUSA-N 1 3 232.371 2.459 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCC2CCC2)C1 ZINC000398610777 488220469 /nfs/dbraw/zinc/22/04/69/488220469.db2.gz AVOZYRFECOVHSI-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398610777 488220475 /nfs/dbraw/zinc/22/04/75/488220475.db2.gz AVOZYRFECOVHSI-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398610777 488220477 /nfs/dbraw/zinc/22/04/77/488220477.db2.gz AVOZYRFECOVHSI-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]1C[N@H+](CCC2CCC2)CC[C@@H]1N ZINC000398751680 488223817 /nfs/dbraw/zinc/22/38/17/488223817.db2.gz BYSHWFOIHCZORA-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1N ZINC000398751680 488223820 /nfs/dbraw/zinc/22/38/20/488223820.db2.gz BYSHWFOIHCZORA-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1CN(CCC2CCC2)CC[C@@H]1[NH3+] ZINC000398751680 488223823 /nfs/dbraw/zinc/22/38/23/488223823.db2.gz BYSHWFOIHCZORA-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]CCCF)c2ccccc21 ZINC000379919279 343655270 /nfs/dbraw/zinc/65/52/70/343655270.db2.gz QYMIGMWFVPIOFJ-NEPJUHHUSA-N 1 3 208.280 2.080 20 0 BEADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000577054382 365795307 /nfs/dbraw/zinc/79/53/07/365795307.db2.gz GASLCIZQOCQJLO-VXGBXAGGSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1CCCCCC1 ZINC000088163225 343709773 /nfs/dbraw/zinc/70/97/73/343709773.db2.gz DIOBXSJRNXCDBG-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CN(CCC[N@H+](C)C1CCC1)C1CCC1 ZINC000173617759 529885741 /nfs/dbraw/zinc/88/57/41/529885741.db2.gz CVLXLFVAFXMJJN-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO CN(CCC[N@@H+](C)C1CCC1)C1CCC1 ZINC000173617759 529885742 /nfs/dbraw/zinc/88/57/42/529885742.db2.gz CVLXLFVAFXMJJN-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO C(C[NH2+][C@H]1CC[C@@H]1C1CC1)CN1CCCC1 ZINC000336650620 537820198 /nfs/dbraw/zinc/82/01/98/537820198.db2.gz DTUXKSVRIRVOSE-KGLIPLIRSA-N 1 3 222.376 2.251 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000634732595 344106604 /nfs/dbraw/zinc/10/66/04/344106604.db2.gz KANCFADFESWRDK-NEPJUHHUSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCSC2)C1 ZINC000634732595 344106606 /nfs/dbraw/zinc/10/66/06/344106606.db2.gz KANCFADFESWRDK-NEPJUHHUSA-N 1 3 242.432 2.250 20 0 BEADHO C(C1CC1)[NH+](CC1CC1)C[C@H]1CCCNC1 ZINC000070064248 187358526 /nfs/dbraw/zinc/35/85/26/187358526.db2.gz GBPRPXOUKIZFER-AWEZNQCLSA-N 1 3 222.376 2.108 20 0 BEADHO CC(C)(C)CC[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733961 344114663 /nfs/dbraw/zinc/11/46/63/344114663.db2.gz SQQLPTYNZXOVIK-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO C(CC1CC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000128059831 187285842 /nfs/dbraw/zinc/28/58/42/187285842.db2.gz JWXWUZWMLFWAES-QWHCGFSZSA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128059831 187285843 /nfs/dbraw/zinc/28/58/43/187285843.db2.gz JWXWUZWMLFWAES-QWHCGFSZSA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128059831 187285844 /nfs/dbraw/zinc/28/58/44/187285844.db2.gz JWXWUZWMLFWAES-QWHCGFSZSA-N 1 3 208.349 2.003 20 0 BEADHO CC(C)CCCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622003960 344181525 /nfs/dbraw/zinc/18/15/25/344181525.db2.gz IGJPUIZTOJRVPK-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000570832116 323072234 /nfs/dbraw/zinc/07/22/34/323072234.db2.gz UDPRERXALFDIIF-GARJFASQSA-N 1 3 239.388 2.311 20 0 BEADHO Cc1cccc([C@H](C)N2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000394356643 344898793 /nfs/dbraw/zinc/89/87/93/344898793.db2.gz XBPHPELGIVYRHC-QEJZJMRPSA-N 1 3 230.355 2.207 20 0 BEADHO CO[C@H]1CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000234892869 537881260 /nfs/dbraw/zinc/88/12/60/537881260.db2.gz YZCYVKTWFCDCSX-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO C[NH2+]CCC1CCN(Cc2ccc(C)cn2)CC1 ZINC000156601405 345189764 /nfs/dbraw/zinc/18/97/64/345189764.db2.gz KLIPZSKGVJUZDB-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C1=CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000156130256 345130079 /nfs/dbraw/zinc/13/00/79/345130079.db2.gz BDPAISBURWTYQS-IHRRRGAJSA-N 1 3 220.360 2.312 20 0 BEADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000390230673 259383015 /nfs/dbraw/zinc/38/30/15/259383015.db2.gz GQEXCQOICCQCFD-VHSXEESVSA-N 1 3 220.307 2.139 20 0 BEADHO C[C@H]1CCCC[C@@]1(C)NCC12CC(C1)C[NH2+]2 ZINC000634996574 345189048 /nfs/dbraw/zinc/18/90/48/345189048.db2.gz OERJCNYONGASKY-RJZJGCCBSA-N 1 3 222.376 2.297 20 0 BEADHO CC1([NH2+]CC23CC(C2)CN3)CCCCC1 ZINC000634993026 345189054 /nfs/dbraw/zinc/18/90/54/345189054.db2.gz JCBCFUNBCPVBOL-UHFFFAOYSA-N 1 3 208.349 2.051 20 0 BEADHO CC1(NCC23CC(C2)C[NH2+]3)CCCCC1 ZINC000634993026 345189056 /nfs/dbraw/zinc/18/90/56/345189056.db2.gz JCBCFUNBCPVBOL-UHFFFAOYSA-N 1 3 208.349 2.051 20 0 BEADHO CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000635021949 345224153 /nfs/dbraw/zinc/22/41/53/345224153.db2.gz QHQIXDIHJMQKOK-FRRDWIJNSA-N 1 3 242.407 2.155 20 0 BEADHO CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000635021950 345224171 /nfs/dbraw/zinc/22/41/71/345224171.db2.gz QHQIXDIHJMQKOK-JHJVBQTASA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000226993522 345245785 /nfs/dbraw/zinc/24/57/85/345245785.db2.gz VCLMMGRARILWOS-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@](C)(NCCC[NH3+])c1ccc(F)cc1 ZINC000634999154 345199220 /nfs/dbraw/zinc/19/92/20/345199220.db2.gz QSKLURAHMFGSAJ-CYBMUJFWSA-N 1 3 224.323 2.389 20 0 BEADHO C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)C[C@H]1CN ZINC000634998958 345199458 /nfs/dbraw/zinc/19/94/58/345199458.db2.gz NMMOAAJGRCWMJB-ZIAGYGMSSA-N 1 3 246.398 2.491 20 0 BEADHO C[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)C[C@H]1CN ZINC000634998958 345199462 /nfs/dbraw/zinc/19/94/62/345199462.db2.gz NMMOAAJGRCWMJB-ZIAGYGMSSA-N 1 3 246.398 2.491 20 0 BEADHO C[C@@H]1CN(CC(C)(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000634998958 345199464 /nfs/dbraw/zinc/19/94/64/345199464.db2.gz NMMOAAJGRCWMJB-ZIAGYGMSSA-N 1 3 246.398 2.491 20 0 BEADHO CC(C)C[C@@H](N)C[NH+]1CCC(CCF)CC1 ZINC000634999476 345200214 /nfs/dbraw/zinc/20/02/14/345200214.db2.gz VEUGGOFDBALAPN-CYBMUJFWSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H](CC1CCC1)N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001785 345201220 /nfs/dbraw/zinc/20/12/20/345201220.db2.gz FYULFGKGFONEHK-GMXVVIOVSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)c1C ZINC000634999870 345201268 /nfs/dbraw/zinc/20/12/68/345201268.db2.gz BKPQJXSXFCFNIB-IUODEOHRSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)c1C ZINC000634999870 345201270 /nfs/dbraw/zinc/20/12/70/345201270.db2.gz BKPQJXSXFCFNIB-IUODEOHRSA-N 1 3 232.371 2.330 20 0 BEADHO CCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999902 345201873 /nfs/dbraw/zinc/20/18/73/345201873.db2.gz BWSUAAWMLIYNOP-TZMCWYRMSA-N 1 3 248.370 2.112 20 0 BEADHO C1CC12CCC[C@@H]2[NH2+][C@H]1CCCNCC1 ZINC000634998048 345203016 /nfs/dbraw/zinc/20/30/16/345203016.db2.gz ZTRVOEFXMQDBJV-RYUDHWBXSA-N 1 3 208.349 2.051 20 0 BEADHO CC[C@@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005510 345209781 /nfs/dbraw/zinc/20/97/81/345209781.db2.gz OEDRTCHQAZVCFF-TZMCWYRMSA-N 1 3 220.360 2.335 20 0 BEADHO CC1CC([NH2+]CC[C@H](N)Cc2ccccc2)C1 ZINC000635010120 345212036 /nfs/dbraw/zinc/21/20/36/345212036.db2.gz YLNKXHBDFLKIDF-BLZCZZARSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2[nH]ccc21 ZINC000635011326 345213599 /nfs/dbraw/zinc/21/35/99/345213599.db2.gz DTQGNLQGLGWGRB-QWRGUYRKSA-N 1 3 231.343 2.383 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012632 345214637 /nfs/dbraw/zinc/21/46/37/345214637.db2.gz UUFYOVUJMJSHED-RYUDHWBXSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1scc(C[NH2+][C@@H]2CCC[C@H]2N)c1C ZINC000635023080 345222064 /nfs/dbraw/zinc/22/20/64/345222064.db2.gz RMOMIWCSEQCUQT-VXGBXAGGSA-N 1 3 224.373 2.334 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772698 345575666 /nfs/dbraw/zinc/57/56/66/345575666.db2.gz VUZHWDSIQVJVQA-KBPBESRZSA-N 1 3 234.387 2.393 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772698 345575667 /nfs/dbraw/zinc/57/56/67/345575667.db2.gz VUZHWDSIQVJVQA-KBPBESRZSA-N 1 3 234.387 2.393 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772698 345575668 /nfs/dbraw/zinc/57/56/68/345575668.db2.gz VUZHWDSIQVJVQA-KBPBESRZSA-N 1 3 234.387 2.393 20 0 BEADHO C1C[C@@H]2C[C@H]([NH2+]C3CCSCC3)CCN2C1 ZINC000106868993 187308109 /nfs/dbraw/zinc/30/81/09/187308109.db2.gz IRSLVGSOGWWFBB-CHWSQXEVSA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@@H]2C[C@H](NC3CCSCC3)CC[N@@H+]2C1 ZINC000106868993 187308111 /nfs/dbraw/zinc/30/81/11/187308111.db2.gz IRSLVGSOGWWFBB-CHWSQXEVSA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@@H]2C[C@H](NC3CCSCC3)CC[N@H+]2C1 ZINC000106868993 187308112 /nfs/dbraw/zinc/30/81/12/187308112.db2.gz IRSLVGSOGWWFBB-CHWSQXEVSA-N 1 3 240.416 2.098 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000319086429 259384254 /nfs/dbraw/zinc/38/42/54/259384254.db2.gz CFDFSSKWACRCEZ-CYDGBPFRSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000224826188 345749942 /nfs/dbraw/zinc/74/99/42/345749942.db2.gz YOADTNPJWSPKEV-CMPLNLGQSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@H]1C[C@H]([N@H+](C)C2CCCCC2)CCN1 ZINC000229539137 537908688 /nfs/dbraw/zinc/90/86/88/537908688.db2.gz PZHBMFMTNTYDNX-WCQYABFASA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H]1C[C@H]([N@@H+](C)C2CCCCC2)CCN1 ZINC000229539137 537908691 /nfs/dbraw/zinc/90/86/91/537908691.db2.gz PZHBMFMTNTYDNX-WCQYABFASA-N 1 3 210.365 2.391 20 0 BEADHO CCC1C[N@@H+](CC2CC3C=CC2C3)CCO1 ZINC000245508148 192093049 /nfs/dbraw/zinc/09/30/49/192093049.db2.gz RHTVLAIFDFHRCL-FQUUOJAGSA-N 1 3 221.344 2.309 20 0 BEADHO C[C@@H]([NH2+]Cc1ccnc2ccccc12)[C@H](C)N ZINC000577079243 365807692 /nfs/dbraw/zinc/80/76/92/365807692.db2.gz IVAAPRNUIIXZHS-WDEREUQCSA-N 1 3 229.327 2.060 20 0 BEADHO Cc1cccc(CN2CC[C@@H](C[NH3+])C2)c1C ZINC000050245536 179078450 /nfs/dbraw/zinc/07/84/50/179078450.db2.gz HAHXYLPZNSHCMZ-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@@H](CN)C2)c1C ZINC000050245536 179078453 /nfs/dbraw/zinc/07/84/53/179078453.db2.gz HAHXYLPZNSHCMZ-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@@H](CN)C2)c1C ZINC000050245536 179078456 /nfs/dbraw/zinc/07/84/56/179078456.db2.gz HAHXYLPZNSHCMZ-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000228151548 179082785 /nfs/dbraw/zinc/08/27/85/179082785.db2.gz ZFEKOWXRNGNBGA-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](N)[C@@H](C)C2)c1C ZINC000235665963 179084487 /nfs/dbraw/zinc/08/44/87/179084487.db2.gz PQMXPQAQYXAQCW-FZMZJTMJSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](N)[C@@H](C)C2)c1C ZINC000235665963 179084490 /nfs/dbraw/zinc/08/44/90/179084490.db2.gz PQMXPQAQYXAQCW-FZMZJTMJSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000105480771 179101354 /nfs/dbraw/zinc/10/13/54/179101354.db2.gz HSGQEBFLXRMXIJ-ZFWWWQNUSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000105480771 179101357 /nfs/dbraw/zinc/10/13/57/179101357.db2.gz HSGQEBFLXRMXIJ-ZFWWWQNUSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccc(CCN[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802608 362754814 /nfs/dbraw/zinc/75/48/14/362754814.db2.gz NRLCTDJBUFCHLZ-KBPBESRZSA-N 1 3 232.371 2.253 20 0 BEADHO CC1(C)c2ccccc2CCN1C[C@H]1CC[NH2+]C1 ZINC000641802132 362758137 /nfs/dbraw/zinc/75/81/37/362758137.db2.gz XWTHCGPRIHCHHY-ZDUSSCGKSA-N 1 3 244.382 2.389 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CO[C@@H](C)C1 ZINC000402170012 349975396 /nfs/dbraw/zinc/97/53/96/349975396.db2.gz UVDCBERDHIHEAS-RFGFWPKPSA-N 1 3 240.391 2.064 20 0 BEADHO Cc1cccc([C@@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000203597023 179181151 /nfs/dbraw/zinc/18/11/51/179181151.db2.gz XBPHPELGIVYRHC-YUELXQCFSA-N 1 3 230.355 2.207 20 0 BEADHO CN1CCCC[C@@H]1CC[N@H+]1CC=CCC1 ZINC000679323816 488337797 /nfs/dbraw/zinc/33/77/97/488337797.db2.gz LWLGGUUAECEBGR-CYBMUJFWSA-N 1 3 208.349 2.123 20 0 BEADHO CN1CCCC[C@@H]1CC[N@@H+]1CC=CCC1 ZINC000679323816 488337799 /nfs/dbraw/zinc/33/77/99/488337799.db2.gz LWLGGUUAECEBGR-CYBMUJFWSA-N 1 3 208.349 2.123 20 0 BEADHO CC[C@H](NC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000382792381 347418825 /nfs/dbraw/zinc/41/88/25/347418825.db2.gz QCLBXFIHWKPFNT-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)C1CCCC1 ZINC000382792381 347418828 /nfs/dbraw/zinc/41/88/28/347418828.db2.gz QCLBXFIHWKPFNT-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CN1CC=C(C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000392185349 347503675 /nfs/dbraw/zinc/50/36/75/347503675.db2.gz DAXPZWYIXUYCHY-CYBMUJFWSA-N 1 3 240.416 2.124 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000309396113 179289303 /nfs/dbraw/zinc/28/93/03/179289303.db2.gz UMINDUQADLDYRK-WCQYABFASA-N 1 3 220.360 2.110 20 0 BEADHO CCS[C@H]1CCCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000592477068 347791628 /nfs/dbraw/zinc/79/16/28/347791628.db2.gz QYLYNUMHGZSOEE-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO Cc1ccccc1OCCCNCC1([NH3+])CCC1 ZINC000342120193 179309043 /nfs/dbraw/zinc/30/90/43/179309043.db2.gz HLMZDTKGLOSZIY-UHFFFAOYSA-N 1 3 248.370 2.235 20 0 BEADHO Cc1ccccc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000309003981 179321746 /nfs/dbraw/zinc/32/17/46/179321746.db2.gz STIVIZNYQUKWGV-ZYHUDNBSSA-N 1 3 206.333 2.240 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577482030 365954226 /nfs/dbraw/zinc/95/42/26/365954226.db2.gz QYLFJAZPGMANPI-RKDXNWHRSA-N 1 3 228.286 2.450 20 0 BEADHO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)N)s1 ZINC000308534182 323175196 /nfs/dbraw/zinc/17/51/96/323175196.db2.gz LUQOKQDCUQPPMG-RKDXNWHRSA-N 1 3 212.362 2.136 20 0 BEADHO CSCC1(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000596648941 348604418 /nfs/dbraw/zinc/60/44/18/348604418.db2.gz BOEUWFLMZBKRME-NWDGAFQWSA-N 1 3 242.432 2.237 20 0 BEADHO CCSC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000596649016 348605387 /nfs/dbraw/zinc/60/53/87/348605387.db2.gz ACGDEQWQABVQRJ-RYUDHWBXSA-N 1 3 242.432 2.379 20 0 BEADHO CSCC1(CC[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000596651878 348605897 /nfs/dbraw/zinc/60/58/97/348605897.db2.gz RHODEEIGOCFSHP-NEPJUHHUSA-N 1 3 242.432 2.379 20 0 BEADHO CSCC1(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000596651882 348605985 /nfs/dbraw/zinc/60/59/85/348605985.db2.gz RHODEEIGOCFSHP-VXGBXAGGSA-N 1 3 242.432 2.379 20 0 BEADHO CCSC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000596652890 348607120 /nfs/dbraw/zinc/60/71/20/348607120.db2.gz QNRCQODGEVXXOY-MNOVXSKESA-N 1 3 228.405 2.132 20 0 BEADHO CCSC1(CN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000596652890 348607124 /nfs/dbraw/zinc/60/71/24/348607124.db2.gz QNRCQODGEVXXOY-MNOVXSKESA-N 1 3 228.405 2.132 20 0 BEADHO COC1([C@H](C)[NH2+]C[C@@H](C)CN(C)C)CCCC1 ZINC000421853143 192389917 /nfs/dbraw/zinc/38/99/17/192389917.db2.gz IPHBFUOETMMYHM-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO C[N@@H+]1CC[C@@H](N[C@@H]2CSC2(C)C)CC1(C)C ZINC000623516292 362940941 /nfs/dbraw/zinc/94/09/41/362940941.db2.gz LVMNBSJQJPTDOK-GHMZBOCLSA-N 1 3 242.432 2.343 20 0 BEADHO C[N@H+]1CC[C@@H](N[C@@H]2CSC2(C)C)CC1(C)C ZINC000623516292 362940944 /nfs/dbraw/zinc/94/09/44/362940944.db2.gz LVMNBSJQJPTDOK-GHMZBOCLSA-N 1 3 242.432 2.343 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250483673 349171254 /nfs/dbraw/zinc/17/12/54/349171254.db2.gz DEMWUSNSSPWNMW-OLZOCXBDSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000253117810 349224039 /nfs/dbraw/zinc/22/40/39/349224039.db2.gz GUBGSODFOXBQMU-FDYHWXHSSA-N 1 3 210.365 2.425 20 0 BEADHO CCC[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])OCC ZINC000530212959 323216368 /nfs/dbraw/zinc/21/63/68/323216368.db2.gz SHMQOPDYGWYGKS-MCIONIFRSA-N 1 3 242.407 2.441 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000388590904 349203147 /nfs/dbraw/zinc/20/31/47/349203147.db2.gz APCXIVGVPWIAGY-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000388590905 349203576 /nfs/dbraw/zinc/20/35/76/349203576.db2.gz APCXIVGVPWIAGY-XQQFMLRXSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccccc1[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251168185 538036312 /nfs/dbraw/zinc/03/63/12/538036312.db2.gz NZDSDZBHTWOTNB-IHRRRGAJSA-N 1 3 230.355 2.207 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000388623663 349274606 /nfs/dbraw/zinc/27/46/06/349274606.db2.gz HZXHLGKKUQGSRF-NDBYEHHHSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@@H]([NH2+]CCCN(CC)CC)[C@H]1CCOC1 ZINC000131454064 191014808 /nfs/dbraw/zinc/01/48/08/191014808.db2.gz NNVUWGQZUIUAIU-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ncsc1CNCc1ccc(C[NH3+])cc1 ZINC000071213761 350092642 /nfs/dbraw/zinc/09/26/42/350092642.db2.gz ZEMMVXIAMJQGMT-UHFFFAOYSA-N 1 3 247.367 2.200 20 0 BEADHO CC[C@H]([NH2+]CCCN(CC)CC)[C@@H]1CCOC1 ZINC000131453476 191015483 /nfs/dbraw/zinc/01/54/83/191015483.db2.gz NNVUWGQZUIUAIU-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CSC1(C[NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000304248333 350150623 /nfs/dbraw/zinc/15/06/23/350150623.db2.gz GLOBHMGINKUYAG-LBPRGKRZSA-N 1 3 242.432 2.202 20 0 BEADHO Cc1cnccc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC000420190345 192172499 /nfs/dbraw/zinc/17/24/99/192172499.db2.gz QMVAKEGGOCKHJS-UHFFFAOYSA-N 1 3 239.322 2.201 20 0 BEADHO C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000154413854 191076807 /nfs/dbraw/zinc/07/68/07/191076807.db2.gz HTCLUIDSMNLLHL-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C(CC1CCCCC1)[NH2+]C1CCNCC1 ZINC000038041473 350302809 /nfs/dbraw/zinc/30/28/09/350302809.db2.gz PVYQYFUUXLPJOX-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO CCC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623535260 362954336 /nfs/dbraw/zinc/95/43/36/362954336.db2.gz SARGAMSPGZTZGI-QWHCGFSZSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535260 362954343 /nfs/dbraw/zinc/95/43/43/362954343.db2.gz SARGAMSPGZTZGI-QWHCGFSZSA-N 1 3 242.407 2.264 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000123990864 350676932 /nfs/dbraw/zinc/67/69/32/350676932.db2.gz UDCYSSTZDPOBOQ-BDAKNGLRSA-N 1 3 224.270 2.188 20 0 BEADHO CSCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000086500069 351165813 /nfs/dbraw/zinc/16/58/13/351165813.db2.gz CHRDHUPQJFZAFH-RWMBFGLXSA-N 1 3 242.432 2.250 20 0 BEADHO CSCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086501071 351166227 /nfs/dbraw/zinc/16/62/27/351166227.db2.gz KDGUJAZBECZYMI-RYUDHWBXSA-N 1 3 230.421 2.250 20 0 BEADHO CN(CCCc1ccccc1)C1CC[NH2+]CC1 ZINC000036301337 358461520 /nfs/dbraw/zinc/46/15/20/358461520.db2.gz LRKWMFCBZLUPDV-UHFFFAOYSA-N 1 3 232.371 2.303 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC1CC1 ZINC000577740196 366049226 /nfs/dbraw/zinc/04/92/26/366049226.db2.gz NKPUCYADLDSTIU-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638338245 352158215 /nfs/dbraw/zinc/15/82/15/352158215.db2.gz UOEFKCAMYATAKF-WDEREUQCSA-N 1 3 234.334 2.350 20 0 BEADHO Cc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422801498 192473364 /nfs/dbraw/zinc/47/33/64/192473364.db2.gz FOTKQBFYUHLZKG-NWDGAFQWSA-N 1 3 206.333 2.210 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638408450 352214577 /nfs/dbraw/zinc/21/45/77/352214577.db2.gz BBOPGDHXXBXYLV-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@@H+]1CC[C@H](CNC[C@](C)(CC)OC)C1 ZINC000638408450 352214582 /nfs/dbraw/zinc/21/45/82/352214582.db2.gz BBOPGDHXXBXYLV-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@H+]1CC[C@H](CNC[C@](C)(CC)OC)C1 ZINC000638408450 352214585 /nfs/dbraw/zinc/21/45/85/352214585.db2.gz BBOPGDHXXBXYLV-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638452128 352262040 /nfs/dbraw/zinc/26/20/40/352262040.db2.gz VEEOBYDUOOGSTM-XQLPTFJDSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414918230 352273214 /nfs/dbraw/zinc/27/32/14/352273214.db2.gz TWEWCEVDACGCRO-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO COC[C@@H](CC(C)C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414919521 352281673 /nfs/dbraw/zinc/28/16/73/352281673.db2.gz XFOOTZBQZNHTGY-ZIAGYGMSSA-N 1 3 242.407 2.027 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919521 352281675 /nfs/dbraw/zinc/28/16/75/352281675.db2.gz XFOOTZBQZNHTGY-ZIAGYGMSSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H](C[NH3+])N[C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414947155 352370728 /nfs/dbraw/zinc/37/07/28/352370728.db2.gz URZRHEBMPYVICX-IMIFBBOLSA-N 1 3 218.344 2.115 20 0 BEADHO CC[NH+]1CCC(NCc2cc(C)cc(N)c2)CC1 ZINC000414957888 352378704 /nfs/dbraw/zinc/37/87/04/352378704.db2.gz CCKRJRWACNBSGO-UHFFFAOYSA-N 1 3 247.386 2.151 20 0 BEADHO CC(C)[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077839 188013356 /nfs/dbraw/zinc/01/33/56/188013356.db2.gz LXJWVAASEMDHFG-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO C1=CO[C@H](CNCCC[NH+]2CCCCC2)CC1 ZINC000050267582 188046013 /nfs/dbraw/zinc/04/60/13/188046013.db2.gz NPUDJERZKHUVCW-AWEZNQCLSA-N 1 3 238.375 2.145 20 0 BEADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC1 ZINC000250896421 188047858 /nfs/dbraw/zinc/04/78/58/188047858.db2.gz YQHOUZQDMVWJLZ-BFHYXJOUSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000159978686 538111507 /nfs/dbraw/zinc/11/15/07/538111507.db2.gz SDFPXNQBIRETAY-MRVWCRGKSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000070613545 353260742 /nfs/dbraw/zinc/26/07/42/353260742.db2.gz QFISPLDUTYATLE-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000070613545 353260744 /nfs/dbraw/zinc/26/07/44/353260744.db2.gz QFISPLDUTYATLE-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N)[C@@H](C)C2)C1 ZINC000251718408 353287999 /nfs/dbraw/zinc/28/79/99/353287999.db2.gz ILBOPLDSZVRMND-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N)[C@@H](C)C2)C1 ZINC000251718408 353288002 /nfs/dbraw/zinc/28/80/02/353288002.db2.gz ILBOPLDSZVRMND-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](CN2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000251718408 353288005 /nfs/dbraw/zinc/28/80/05/353288005.db2.gz ILBOPLDSZVRMND-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304514167 188250137 /nfs/dbraw/zinc/25/01/37/188250137.db2.gz DSHXKISDGOSVPJ-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000304514163 188250583 /nfs/dbraw/zinc/25/05/83/188250583.db2.gz DSHXKISDGOSVPJ-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252862407 353312151 /nfs/dbraw/zinc/31/21/51/353312151.db2.gz NZZGOCAJVWEUFJ-ZOBORPQBSA-N 1 3 245.370 2.202 20 0 BEADHO C1CCCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000129804934 188318028 /nfs/dbraw/zinc/31/80/28/188318028.db2.gz SKSMBUYAKVAVBJ-CYBMUJFWSA-N 1 3 210.365 2.441 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086252923 188318381 /nfs/dbraw/zinc/31/83/81/188318381.db2.gz CYDBNXSONJUZMV-AWEZNQCLSA-N 1 3 235.375 2.225 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([C@@H](C)N)C1 ZINC000301013747 188335989 /nfs/dbraw/zinc/33/59/89/188335989.db2.gz ZEZNXFMIMGGYOE-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([C@@H](C)N)C1 ZINC000301013747 188335990 /nfs/dbraw/zinc/33/59/90/188335990.db2.gz ZEZNXFMIMGGYOE-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO C1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000106868880 188337352 /nfs/dbraw/zinc/33/73/52/188337352.db2.gz ZTUBPWUGZCJWMQ-CHWSQXEVSA-N 1 3 208.349 2.145 20 0 BEADHO CCCC[C@H](CC)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085283182 538116260 /nfs/dbraw/zinc/11/62/60/538116260.db2.gz JKDGBULEUOPIDQ-BFHYXJOUSA-N 1 3 224.392 2.354 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000336773922 353420557 /nfs/dbraw/zinc/42/05/57/353420557.db2.gz WLNLAMAGYRFKIQ-QWHCGFSZSA-N 1 3 242.432 2.061 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000336778956 353530116 /nfs/dbraw/zinc/53/01/16/353530116.db2.gz MVFBLAUCWFHLCD-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2CCSC2)C1 ZINC000231347361 353595552 /nfs/dbraw/zinc/59/55/52/353595552.db2.gz DILAQRVEAXCFPM-VOAKCMCISA-N 1 3 240.416 2.002 20 0 BEADHO CC[C@@](C)(C[N@H+](C)CCCN1CCCC1)OC ZINC000639132918 353842276 /nfs/dbraw/zinc/84/22/76/353842276.db2.gz VEWCENCYQLPKLH-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@@](C)(C[N@@H+](C)CCCN1CCCC1)OC ZINC000639132918 353842280 /nfs/dbraw/zinc/84/22/80/353842280.db2.gz VEWCENCYQLPKLH-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639170027 354096941 /nfs/dbraw/zinc/09/69/41/354096941.db2.gz OGBFBLISKRDBMK-XQLPTFJDSA-N 1 3 236.403 2.352 20 0 BEADHO CCNCCC[NH2+][C@H](C)CCC(F)(F)F ZINC000578062671 366209775 /nfs/dbraw/zinc/20/97/75/366209775.db2.gz KCMVPEIAWDZMOR-SECBINFHSA-N 1 3 226.286 2.307 20 0 BEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCCC1 ZINC000232876433 363387493 /nfs/dbraw/zinc/38/74/93/363387493.db2.gz RMVBBGMJKONWEV-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000235171055 363438758 /nfs/dbraw/zinc/43/87/58/363438758.db2.gz LWHJZQPGTBQJFM-VXGBXAGGSA-N 1 3 230.421 2.237 20 0 BEADHO CC(C)C1CC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000335173950 354940588 /nfs/dbraw/zinc/94/05/88/354940588.db2.gz LAXLPQKANAPNAJ-HPCMXSDISA-N 1 3 222.376 2.294 20 0 BEADHO C[C@H](N)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000335229453 355071852 /nfs/dbraw/zinc/07/18/52/355071852.db2.gz FGOHWTAKSAVABB-JQWIXIFHSA-N 1 3 238.762 2.477 20 0 BEADHO C[C@H](N)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000335229453 355071854 /nfs/dbraw/zinc/07/18/54/355071854.db2.gz FGOHWTAKSAVABB-JQWIXIFHSA-N 1 3 238.762 2.477 20 0 BEADHO C[C@@H]1C[C@H](C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346972749 355208348 /nfs/dbraw/zinc/20/83/48/355208348.db2.gz HXPYBTDNWFWDFX-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346972749 355208350 /nfs/dbraw/zinc/20/83/50/355208350.db2.gz HXPYBTDNWFWDFX-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346965934 355173087 /nfs/dbraw/zinc/17/30/87/355173087.db2.gz CELFRZSTANHTBY-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346965934 355173090 /nfs/dbraw/zinc/17/30/90/355173090.db2.gz CELFRZSTANHTBY-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](CN(C)C1CC[NH+](C(C)C)CC1)OC ZINC000412975211 191346681 /nfs/dbraw/zinc/34/66/81/191346681.db2.gz DSMZKLCHUDYZAO-AWEZNQCLSA-N 1 3 242.407 2.216 20 0 BEADHO CC[C@H](CN(C)C1CC[NH+](C(C)C)CC1)OC ZINC000412975212 191346798 /nfs/dbraw/zinc/34/67/98/191346798.db2.gz DSMZKLCHUDYZAO-CQSZACIVSA-N 1 3 242.407 2.216 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H](C)CN)c1ccc(F)cc1 ZINC000414877738 191612624 /nfs/dbraw/zinc/61/26/24/191612624.db2.gz NEHZRLSKBPIVTB-QWRGUYRKSA-N 1 3 224.323 2.114 20 0 BEADHO CC(C)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000335837719 355566643 /nfs/dbraw/zinc/56/66/43/355566643.db2.gz NYCBVLMCRPBMAQ-CHWSQXEVSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@H]1C[N@H+](C[C@@H]2CCCNC2)CCS1 ZINC000335837719 355566645 /nfs/dbraw/zinc/56/66/45/355566645.db2.gz NYCBVLMCRPBMAQ-CHWSQXEVSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@H]1C[N@@H+](C[C@@H]2CCCNC2)CCS1 ZINC000335837719 355566650 /nfs/dbraw/zinc/56/66/50/355566650.db2.gz NYCBVLMCRPBMAQ-CHWSQXEVSA-N 1 3 242.432 2.059 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)c1C ZINC000216010477 355795921 /nfs/dbraw/zinc/79/59/21/355795921.db2.gz USOJHFQEAMHYFS-GXTWGEPZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)c1C ZINC000216010477 355795923 /nfs/dbraw/zinc/79/59/23/355795923.db2.gz USOJHFQEAMHYFS-GXTWGEPZSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H](C[N@@H+]1C[C@@H](CN)C[C@@H]1C)c1ccccc1 ZINC000216056242 355804514 /nfs/dbraw/zinc/80/45/14/355804514.db2.gz VKIQLAPYQKBGDH-HZSPNIEDSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1C[C@@H](CN)C[C@@H]1C)c1ccccc1 ZINC000216056242 355804517 /nfs/dbraw/zinc/80/45/17/355804517.db2.gz VKIQLAPYQKBGDH-HZSPNIEDSA-N 1 3 232.371 2.459 20 0 BEADHO Cc1cc(C)cc(CNCCC[NH+]2CCC2)c1 ZINC000536598865 355843363 /nfs/dbraw/zinc/84/33/63/355843363.db2.gz CXCWJRHLGZKAOD-UHFFFAOYSA-N 1 3 232.371 2.489 20 0 BEADHO CCCN1CC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000309063706 355989005 /nfs/dbraw/zinc/98/90/05/355989005.db2.gz YEFRHUOXKZKEBR-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000351882137 356119889 /nfs/dbraw/zinc/11/98/89/356119889.db2.gz PAWWWSODHUGBPX-YNEHKIRRSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H](F)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000351882137 356119892 /nfs/dbraw/zinc/11/98/92/356119892.db2.gz PAWWWSODHUGBPX-YNEHKIRRSA-N 1 3 228.355 2.151 20 0 BEADHO CCN(CCOCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420319552 192195117 /nfs/dbraw/zinc/19/51/17/192195117.db2.gz XRXUTRAEALSINY-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO CCc1cccc(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000420298744 192204179 /nfs/dbraw/zinc/20/41/79/192204179.db2.gz SMZFYNVKNNNXND-AWEZNQCLSA-N 1 3 218.344 2.030 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CC[C@@H]1CCCCO1 ZINC000420289679 192201091 /nfs/dbraw/zinc/20/10/91/192201091.db2.gz KSOJGSFBBMKUJV-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO C[NH+](C)CCCC(C)(C)NCc1ccco1 ZINC000395645372 356359384 /nfs/dbraw/zinc/35/93/84/356359384.db2.gz NDMGZAWIUFUAQA-UHFFFAOYSA-N 1 3 224.348 2.490 20 0 BEADHO COc1ccccc1CCCNCC1([NH3+])CCC1 ZINC000420312124 192210264 /nfs/dbraw/zinc/21/02/64/192210264.db2.gz RQBLPJHOLAFYAQ-UHFFFAOYSA-N 1 3 248.370 2.099 20 0 BEADHO CN(CCCC1CCCC1)C1CC([NH3+])C1 ZINC000420323982 192227872 /nfs/dbraw/zinc/22/78/72/192227872.db2.gz BVONTCIPPKGKHR-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[N@H+](CCCC1CCCC1)C1CC(N)C1 ZINC000420323982 192227875 /nfs/dbraw/zinc/22/78/75/192227875.db2.gz BVONTCIPPKGKHR-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[N@@H+](CCCC1CCCC1)C1CC(N)C1 ZINC000420323982 192227878 /nfs/dbraw/zinc/22/78/78/192227878.db2.gz BVONTCIPPKGKHR-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCCC(F)(F)F ZINC000420326099 192228814 /nfs/dbraw/zinc/22/88/14/192228814.db2.gz XAWZREKVUNHOHL-ZJUUUORDSA-N 1 3 238.297 2.388 20 0 BEADHO Cc1cc([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)on1 ZINC000420326823 192228877 /nfs/dbraw/zinc/22/88/77/192228877.db2.gz XVHBZAZAYFFEOZ-QWHCGFSZSA-N 1 3 249.358 2.120 20 0 BEADHO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@H](C)N)C2)cc1 ZINC000420357485 192219326 /nfs/dbraw/zinc/21/93/26/192219326.db2.gz HYDPUFQKESKLMN-ZFWWWQNUSA-N 1 3 232.371 2.306 20 0 BEADHO Cc1ccc([C@@]2(C)CC[N@H+](C[C@H](C)N)C2)cc1 ZINC000420357485 192219328 /nfs/dbraw/zinc/21/93/28/192219328.db2.gz HYDPUFQKESKLMN-ZFWWWQNUSA-N 1 3 232.371 2.306 20 0 BEADHO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCNC ZINC000420363130 192223217 /nfs/dbraw/zinc/22/32/17/192223217.db2.gz BEVLNIVDFSKRQH-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(C)(C)[C@@H]1CCC[N@H+]1CCCNC ZINC000420363130 192223219 /nfs/dbraw/zinc/22/32/19/192223219.db2.gz BEVLNIVDFSKRQH-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422992867 192520777 /nfs/dbraw/zinc/52/07/77/192520777.db2.gz RVAXOEOZMRQXMD-QYPKEOEOSA-N 1 3 244.382 2.288 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639685931 356601683 /nfs/dbraw/zinc/60/16/83/356601683.db2.gz ZEQBKHTXIBPSGD-KGLIPLIRSA-N 1 3 245.370 2.250 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639685931 356601685 /nfs/dbraw/zinc/60/16/85/356601685.db2.gz ZEQBKHTXIBPSGD-KGLIPLIRSA-N 1 3 245.370 2.250 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450408139 202156239 /nfs/dbraw/zinc/15/62/39/202156239.db2.gz VFBVJJBRAKYHHP-NEPJUHHUSA-N 1 3 246.345 2.305 20 0 BEADHO CCCN(C)CC[C@H](C)[N@H+](C)CCC ZINC000153331453 538568508 /nfs/dbraw/zinc/56/85/08/538568508.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCCN(C)CC[C@H](C)[N@@H+](C)CCC ZINC000153331453 538568513 /nfs/dbraw/zinc/56/85/13/538568513.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCCN(C)[C@@H](C)CC[N@H+](C)CCC ZINC000153331453 538568520 /nfs/dbraw/zinc/56/85/20/538568520.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCCN(C)[C@@H](C)CC[N@@H+](C)CCC ZINC000153331453 538568528 /nfs/dbraw/zinc/56/85/28/538568528.db2.gz CLEUYPOQRBDAEB-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO Cc1cc(C[NH2+]CC(C)(C)CN(C)C)ccn1 ZINC000623335740 356720521 /nfs/dbraw/zinc/72/05/21/356720521.db2.gz BNTWDVZXWRJPAD-UHFFFAOYSA-N 1 3 235.375 2.067 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000578185297 366367774 /nfs/dbraw/zinc/36/77/74/366367774.db2.gz YCPYTFOHHZHZDG-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO CCc1cc(N2CCN(C)[C@@H](C(C)C)C2)cc[nH+]1 ZINC000450479462 202180188 /nfs/dbraw/zinc/18/01/88/202180188.db2.gz OIKIJCXSPODXET-OAHLLOKOSA-N 1 3 247.386 2.420 20 0 BEADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCCCO2)CC1(C)C ZINC000623377441 356896621 /nfs/dbraw/zinc/89/66/21/356896621.db2.gz ZAARRMJNQDBTMJ-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CC[C@H](NC[C@@H]2CCCCO2)CC1(C)C ZINC000623377441 356896626 /nfs/dbraw/zinc/89/66/26/356896626.db2.gz ZAARRMJNQDBTMJ-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@@H]([C@H](C)N)C1 ZINC000261550460 535351047 /nfs/dbraw/zinc/35/10/47/535351047.db2.gz PLYFTMNKMOBEGE-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@@H]([C@H](C)N)C1 ZINC000261550460 535351050 /nfs/dbraw/zinc/35/10/50/535351050.db2.gz PLYFTMNKMOBEGE-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423204735 192625899 /nfs/dbraw/zinc/62/58/99/192625899.db2.gz DQAUTQNQFMKAAC-IHRRRGAJSA-N 1 3 242.382 2.494 20 0 BEADHO C[C@H](C[NH2+]C1CCC(C)CC1)CN(C)C ZINC000389641877 357008140 /nfs/dbraw/zinc/00/81/40/357008140.db2.gz QVXWOAZULLXRDX-OTTFEQOBSA-N 1 3 212.381 2.352 20 0 BEADHO CCC1(CC)[C@H](NC[C@H]([NH3+])C(C)C)C[C@@H]1OC ZINC000423277651 192670036 /nfs/dbraw/zinc/67/00/36/192670036.db2.gz PPUPOWQEZQOPNN-XQQFMLRXSA-N 1 3 242.407 2.153 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(O)cc2)C1 ZINC000628425750 357253461 /nfs/dbraw/zinc/25/34/61/357253461.db2.gz UKPSBFRIJFSKGT-AWEZNQCLSA-N 1 3 248.370 2.214 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425915 357254559 /nfs/dbraw/zinc/25/45/59/357254559.db2.gz ZCZQTAQWMOVJPQ-AGIUHOORSA-N 1 3 242.432 2.059 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000582480738 357316556 /nfs/dbraw/zinc/31/65/56/357316556.db2.gz SPPVTESGEFCQHW-ZUWCUPBKSA-N 1 3 240.391 2.063 20 0 BEADHO CC[C@H](C[N@H+](C)CCCN)c1ccccc1 ZINC000382089733 357347625 /nfs/dbraw/zinc/34/76/25/357347625.db2.gz XUSONCOZSCAYFA-CYBMUJFWSA-N 1 3 220.360 2.461 20 0 BEADHO CC[C@H](C[N@@H+](C)CCCN)c1ccccc1 ZINC000382089733 357347628 /nfs/dbraw/zinc/34/76/28/357347628.db2.gz XUSONCOZSCAYFA-CYBMUJFWSA-N 1 3 220.360 2.461 20 0 BEADHO CC1(C)CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000582606258 357349298 /nfs/dbraw/zinc/34/92/98/357349298.db2.gz LSFGOOQRUQKHMI-MCIONIFRSA-N 1 3 236.403 2.354 20 0 BEADHO CC(C)CSCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000397364323 357513514 /nfs/dbraw/zinc/51/35/14/357513514.db2.gz YOBOWTSRLPYYAW-RYUDHWBXSA-N 1 3 230.421 2.235 20 0 BEADHO Cc1cnccc1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397487378 357515758 /nfs/dbraw/zinc/51/57/58/357515758.db2.gz WHIJTFVAPMHXQS-ZLDLUXBVSA-N 1 3 247.386 2.195 20 0 BEADHO CCN(CC)CCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000191545790 357784169 /nfs/dbraw/zinc/78/41/69/357784169.db2.gz GGCUZXIREOCWQQ-KBPBESRZSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H]2CCC[C@H]2C1 ZINC000191545790 357784172 /nfs/dbraw/zinc/78/41/72/357784172.db2.gz GGCUZXIREOCWQQ-KBPBESRZSA-N 1 3 224.392 2.450 20 0 BEADHO CSC1(C[NH2+]CCCN2CCCC2)CCC1 ZINC000235228372 357858060 /nfs/dbraw/zinc/85/80/60/357858060.db2.gz BUZWEXMBIUOBRZ-UHFFFAOYSA-N 1 3 242.432 2.348 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000583316290 357898736 /nfs/dbraw/zinc/89/87/36/357898736.db2.gz FOGQWMHTUOMUTO-CHWSQXEVSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@@H]1C(C)C ZINC000583316290 357898740 /nfs/dbraw/zinc/89/87/40/357898740.db2.gz FOGQWMHTUOMUTO-CHWSQXEVSA-N 1 3 212.381 2.399 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000584479862 357996605 /nfs/dbraw/zinc/99/66/05/357996605.db2.gz KAGOQDYEWBIYRC-DGAVXFQQSA-N 1 3 222.376 2.282 20 0 BEADHO CC1(C)C(C[NH2+][C@H]2CCCNCC2)C1(C)C ZINC000168768961 134248067 /nfs/dbraw/zinc/24/80/67/134248067.db2.gz QHEASJYWGFUMKE-NSHDSACASA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000583882365 358117358 /nfs/dbraw/zinc/11/73/58/358117358.db2.gz DLJQDDXYFLUMFU-MROQNXINSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000583882365 358117361 /nfs/dbraw/zinc/11/73/61/358117361.db2.gz DLJQDDXYFLUMFU-MROQNXINSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)C[C@H](N)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000578206654 366390512 /nfs/dbraw/zinc/39/05/12/366390512.db2.gz ZWOFAOMDHGHHLS-DZGCQCFKSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)CCO1 ZINC000139023157 491130134 /nfs/dbraw/zinc/13/01/34/491130134.db2.gz IASHZOBSDZCWKQ-SRVKXCTJSA-N 1 3 237.347 2.264 20 0 BEADHO CC[NH+]1CCC(CNCc2ccco2)CC1 ZINC000044517398 358389000 /nfs/dbraw/zinc/38/90/00/358389000.db2.gz LCPIVPAPMAIDBJ-UHFFFAOYSA-N 1 3 222.332 2.101 20 0 BEADHO CCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173871851 134278066 /nfs/dbraw/zinc/27/80/66/134278066.db2.gz LHDCCVOSHJHJBY-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO C1CC1C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000130152874 358610640 /nfs/dbraw/zinc/61/06/40/358610640.db2.gz WPRNTUTZTOAJER-KGLIPLIRSA-N 1 3 234.387 2.391 20 0 BEADHO CCc1ccc(CNCC2CC[NH+](C)CC2)o1 ZINC000051724948 358760745 /nfs/dbraw/zinc/76/07/45/358760745.db2.gz XJGVNBBVWVHLTL-UHFFFAOYSA-N 1 3 236.359 2.273 20 0 BEADHO CC[C@H](COC)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132126903 358708524 /nfs/dbraw/zinc/70/85/24/358708524.db2.gz IWTSGAQXHPDFOA-SWHYSGLUSA-N 1 3 234.343 2.146 20 0 BEADHO CCCC[C@H](COC)NCC(C)(C)C[NH+](C)C ZINC000132149585 358708823 /nfs/dbraw/zinc/70/88/23/358708823.db2.gz YKOBSCAXKBTULU-CYBMUJFWSA-N 1 3 244.423 2.369 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000086404702 358968571 /nfs/dbraw/zinc/96/85/71/358968571.db2.gz SXPHMFZZMFGWJD-QWHCGFSZSA-N 1 3 222.376 2.282 20 0 BEADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)C(C)C ZINC000423318663 192702714 /nfs/dbraw/zinc/70/27/14/192702714.db2.gz CUIGTRSULLEHIS-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CCC1CC([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000423332260 192712680 /nfs/dbraw/zinc/71/26/80/192712680.db2.gz HEZFBJBIEYAVLH-WXRRBKDZSA-N 1 3 210.365 2.154 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958284 359249499 /nfs/dbraw/zinc/24/94/99/359249499.db2.gz FWVDWNAGQWSCES-CHWSQXEVSA-N 1 3 240.467 2.280 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958284 359249503 /nfs/dbraw/zinc/24/95/03/359249503.db2.gz FWVDWNAGQWSCES-CHWSQXEVSA-N 1 3 240.467 2.280 20 0 BEADHO C[N@@H+]1CCC[C@@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000247958284 359249511 /nfs/dbraw/zinc/24/95/11/359249511.db2.gz FWVDWNAGQWSCES-CHWSQXEVSA-N 1 3 240.467 2.280 20 0 BEADHO C[N@H+]1CCC[C@@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000247958284 359249516 /nfs/dbraw/zinc/24/95/16/359249516.db2.gz FWVDWNAGQWSCES-CHWSQXEVSA-N 1 3 240.467 2.280 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248067335 359252687 /nfs/dbraw/zinc/25/26/87/359252687.db2.gz MHCFSHBGKBZWGZ-IHRRRGAJSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248067335 359252688 /nfs/dbraw/zinc/25/26/88/359252688.db2.gz MHCFSHBGKBZWGZ-IHRRRGAJSA-N 1 3 224.392 2.449 20 0 BEADHO CCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076002749 359255511 /nfs/dbraw/zinc/25/55/11/359255511.db2.gz CMHKRCKRTWIVDU-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000076002749 359255514 /nfs/dbraw/zinc/25/55/14/359255514.db2.gz CMHKRCKRTWIVDU-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000076002749 359255518 /nfs/dbraw/zinc/25/55/18/359255518.db2.gz CMHKRCKRTWIVDU-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@@H](C)C1 ZINC000247258296 359206271 /nfs/dbraw/zinc/20/62/71/359206271.db2.gz ZRMUKUDKAOYBNI-SWLSCSKDSA-N 1 3 248.370 2.212 20 0 BEADHO CO[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623436964 359330289 /nfs/dbraw/zinc/33/02/89/359330289.db2.gz LSXRXXOVEQABHH-CHWSQXEVSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436964 359330293 /nfs/dbraw/zinc/33/02/93/359330293.db2.gz LSXRXXOVEQABHH-CHWSQXEVSA-N 1 3 242.407 2.120 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000379586398 359560536 /nfs/dbraw/zinc/56/05/36/359560536.db2.gz JMEUAZXHBHJUEH-QWHCGFSZSA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1=CCCCC1 ZINC000379586398 359560540 /nfs/dbraw/zinc/56/05/40/359560540.db2.gz JMEUAZXHBHJUEH-QWHCGFSZSA-N 1 3 208.349 2.204 20 0 BEADHO CN(CCC[NH+]1CCCC1)CC1CC(F)(F)C1 ZINC000450913151 202309183 /nfs/dbraw/zinc/30/91/83/202309183.db2.gz YNBOXPZQBGZLQO-UHFFFAOYSA-N 1 3 246.345 2.449 20 0 BEADHO CCC1(CC)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000087255323 359904476 /nfs/dbraw/zinc/90/44/76/359904476.db2.gz RHFJMOYJTULALP-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN)C12CCCCC2 ZINC000087298412 359906177 /nfs/dbraw/zinc/90/61/77/359906177.db2.gz NEZTVAFQEUMWLY-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO CCO[C@@H]1C[C@H](NCCC[NH3+])C12CCCCC2 ZINC000087298412 359906182 /nfs/dbraw/zinc/90/61/82/359906182.db2.gz NEZTVAFQEUMWLY-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccncc1 ZINC000089139917 359991513 /nfs/dbraw/zinc/99/15/13/359991513.db2.gz OOERCCOLKHSXKL-YUTCNCBUSA-N 1 3 233.359 2.250 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000089139566 359992143 /nfs/dbraw/zinc/99/21/43/359992143.db2.gz JVHGYNWOXVOSFF-GJZGRUSLSA-N 1 3 232.371 2.336 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOC1CCCCC1 ZINC000089150696 359993734 /nfs/dbraw/zinc/99/37/34/359993734.db2.gz WLEMJNDWGGERBG-JSGCOSHPSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000089150696 359993736 /nfs/dbraw/zinc/99/37/36/359993736.db2.gz WLEMJNDWGGERBG-JSGCOSHPSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000089147662 359993779 /nfs/dbraw/zinc/99/37/79/359993779.db2.gz QCDFXZQLANPMIM-LSDHHAIUSA-N 1 3 232.371 2.336 20 0 BEADHO CC(C)COCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000089140454 359993177 /nfs/dbraw/zinc/99/31/77/359993177.db2.gz OWIPJBZMQJSRIS-KBPBESRZSA-N 1 3 242.407 2.156 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000089147663 359994096 /nfs/dbraw/zinc/99/40/96/359994096.db2.gz QCDFXZQLANPMIM-GJZGRUSLSA-N 1 3 232.371 2.336 20 0 BEADHO CCOc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149830 359994236 /nfs/dbraw/zinc/99/42/36/359994236.db2.gz KMKUVOFNLRWKEV-DZGCQCFKSA-N 1 3 248.370 2.302 20 0 BEADHO COC[C@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516223 360255837 /nfs/dbraw/zinc/25/58/37/360255837.db2.gz WNXBFUHQRUSFIV-MCIONIFRSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CC1CCC1 ZINC000629389278 361036442 /nfs/dbraw/zinc/03/64/42/361036442.db2.gz UGXWZSQWUWUGBY-WCFLWFBJSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C ZINC000629390397 361037954 /nfs/dbraw/zinc/03/79/54/361037954.db2.gz DXGNJMGBZWWQMZ-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000629387891 361040450 /nfs/dbraw/zinc/04/04/50/361040450.db2.gz IAXNYGDBUGCTTQ-SDDRHHMPSA-N 1 3 210.365 2.295 20 0 BEADHO CCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629409500 361058538 /nfs/dbraw/zinc/05/85/38/361058538.db2.gz HYVASTXUDFQHRO-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000629408684 361059141 /nfs/dbraw/zinc/05/91/41/361059141.db2.gz YQAPAEYPJJESOA-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000629512456 361107281 /nfs/dbraw/zinc/10/72/81/361107281.db2.gz AKJXJRPDCAVLLU-NILFDRSVSA-N 1 3 244.382 2.376 20 0 BEADHO C[C@H]([NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CNC1 ZINC000629512456 361107284 /nfs/dbraw/zinc/10/72/84/361107284.db2.gz AKJXJRPDCAVLLU-NILFDRSVSA-N 1 3 244.382 2.376 20 0 BEADHO Cc1cccc2c1C[C@H](N[C@H](C)C[C@H](C)[NH3+])CO2 ZINC000629513167 361110089 /nfs/dbraw/zinc/11/00/89/361110089.db2.gz FMJCENGYULFGEW-XQQFMLRXSA-N 1 3 248.370 2.014 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000629527485 361130991 /nfs/dbraw/zinc/13/09/91/361130991.db2.gz WYNDXVURJKPHEE-FIQHERPVSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H](NCCOCC[NH2+]C)c1ccsc1 ZINC000629530927 361145853 /nfs/dbraw/zinc/14/58/53/361145853.db2.gz VHPQNZDNFUMDDF-LBPRGKRZSA-N 1 3 242.388 2.025 20 0 BEADHO Cc1ccc(C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+])nc1 ZINC000629524618 361125647 /nfs/dbraw/zinc/12/56/47/361125647.db2.gz UAPZYZPNVOJJMI-STQMWFEESA-N 1 3 249.402 2.383 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N)nc1 ZINC000629524618 361125649 /nfs/dbraw/zinc/12/56/49/361125649.db2.gz UAPZYZPNVOJJMI-STQMWFEESA-N 1 3 249.402 2.383 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC000158593718 361205445 /nfs/dbraw/zinc/20/54/45/361205445.db2.gz TWDQYWZOJIZKNF-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000158593718 361205448 /nfs/dbraw/zinc/20/54/48/361205448.db2.gz TWDQYWZOJIZKNF-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000158593718 361205450 /nfs/dbraw/zinc/20/54/50/361205450.db2.gz TWDQYWZOJIZKNF-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000622044341 370672573 /nfs/dbraw/zinc/67/25/73/370672573.db2.gz BHYIOSHLSYMADQ-FIYWTHMPSA-N 1 3 210.365 2.140 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000622044344 370672642 /nfs/dbraw/zinc/67/26/42/370672642.db2.gz BHYIOSHLSYMADQ-TYUFSLCMSA-N 1 3 210.365 2.140 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043844 370675814 /nfs/dbraw/zinc/67/58/14/370675814.db2.gz NNAKMAUQVPWRGI-GARJFASQSA-N 1 3 232.318 2.139 20 0 BEADHO CC[C@@H](NCC1CC(C)C1)[C@@H]1CCC[NH2+]1 ZINC000622044491 370677185 /nfs/dbraw/zinc/67/71/85/370677185.db2.gz HYXYHYYVUOFMEU-TUUUFIMRSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]CC1CC(C)C1)[C@@H]1CCCN1 ZINC000622044491 370677189 /nfs/dbraw/zinc/67/71/89/370677189.db2.gz HYXYHYYVUOFMEU-TUUUFIMRSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1cccs1)NCC[C@H](C)[NH3+] ZINC000622045753 370679782 /nfs/dbraw/zinc/67/97/82/370679782.db2.gz UXIHWOYSOHEGHP-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+]CC[C@H](C)N ZINC000622045753 370679787 /nfs/dbraw/zinc/67/97/87/370679787.db2.gz UXIHWOYSOHEGHP-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO Cc1ccc([C@@H](C)NCCOCCC[NH3+])s1 ZINC000629536967 361399570 /nfs/dbraw/zinc/39/95/70/361399570.db2.gz HYWHEENOWMXXMN-LLVKDONJSA-N 1 3 242.388 2.073 20 0 BEADHO Cc1cccc([C@H](C)NCCOCCC[NH3+])c1 ZINC000629538766 361403664 /nfs/dbraw/zinc/40/36/64/361403664.db2.gz LFVALDOGOIRWQU-ZDUSSCGKSA-N 1 3 236.359 2.011 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538812 361403740 /nfs/dbraw/zinc/40/37/40/361403740.db2.gz LGZYTGISQNGURM-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1C(C)(C)C1(C)C ZINC000629543521 361410904 /nfs/dbraw/zinc/41/09/04/361410904.db2.gz BALBVDQWDQMGLM-GARJFASQSA-N 1 3 224.392 2.397 20 0 BEADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429581589 201117223 /nfs/dbraw/zinc/11/72/23/201117223.db2.gz USDHWQPKHDGZCK-OPQQBVKSSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542708 361420479 /nfs/dbraw/zinc/42/04/79/361420479.db2.gz JOBIVGRTQJDJPN-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](C1CC1)C1CCCC1 ZINC000629544274 361422998 /nfs/dbraw/zinc/42/29/98/361422998.db2.gz HGTVOESKEOTSKD-ZLKJLUDKSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000629544274 361423003 /nfs/dbraw/zinc/42/30/03/361423003.db2.gz HGTVOESKEOTSKD-ZLKJLUDKSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1NC1C2CC3CC(C2)CC1C3 ZINC000629544928 361424394 /nfs/dbraw/zinc/42/43/94/361424394.db2.gz HNZTWWPTBJNTDJ-ROZWMTPISA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000629544928 361424397 /nfs/dbraw/zinc/42/43/97/361424397.db2.gz HNZTWWPTBJNTDJ-ROZWMTPISA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000629546895 361428884 /nfs/dbraw/zinc/42/88/84/361428884.db2.gz QINCDNTTYOTUDW-YNEHKIRRSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000629553171 361437725 /nfs/dbraw/zinc/43/77/25/361437725.db2.gz VJIZYJRUUSYQBX-IJLUTSLNSA-N 1 3 246.345 2.209 20 0 BEADHO Cc1ccccc1CCCN1CC[C@@H](C[NH3+])C1 ZINC000430940335 201159527 /nfs/dbraw/zinc/15/95/27/201159527.db2.gz JRXRFECUGATDOJ-AWEZNQCLSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccccc1CCC[N@@H+]1CC[C@@H](CN)C1 ZINC000430940335 201159531 /nfs/dbraw/zinc/15/95/31/201159531.db2.gz JRXRFECUGATDOJ-AWEZNQCLSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccccc1CCC[N@H+]1CC[C@@H](CN)C1 ZINC000430940335 201159533 /nfs/dbraw/zinc/15/95/33/201159533.db2.gz JRXRFECUGATDOJ-AWEZNQCLSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccccc1CCCN1CC[C@H](C[NH3+])C1 ZINC000430940337 201159542 /nfs/dbraw/zinc/15/95/42/201159542.db2.gz JRXRFECUGATDOJ-CQSZACIVSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccccc1CCC[N@@H+]1CC[C@H](CN)C1 ZINC000430940337 201159546 /nfs/dbraw/zinc/15/95/46/201159546.db2.gz JRXRFECUGATDOJ-CQSZACIVSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccccc1CCC[N@H+]1CC[C@H](CN)C1 ZINC000430940337 201159547 /nfs/dbraw/zinc/15/95/47/201159547.db2.gz JRXRFECUGATDOJ-CQSZACIVSA-N 1 3 232.371 2.208 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCCc2ccccc2C)C1 ZINC000430941212 201159810 /nfs/dbraw/zinc/15/98/10/201159810.db2.gz VABODEPXKUPEEZ-HNNXBMFYSA-N 1 3 246.398 2.469 20 0 BEADHO C/C=C/C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000629595407 361482104 /nfs/dbraw/zinc/48/21/04/361482104.db2.gz OPHSVGUFXFFHMS-DHMVDLOISA-N 1 3 222.376 2.274 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000629593126 361485056 /nfs/dbraw/zinc/48/50/56/361485056.db2.gz DQLZPGVYVNHDNQ-LJIZCISZSA-N 1 3 248.414 2.354 20 0 BEADHO CC[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562476 361456192 /nfs/dbraw/zinc/45/61/92/361456192.db2.gz NJTGPKHQWSSJMX-GUBZILKMSA-N 1 3 238.297 2.244 20 0 BEADHO Cn1ccc(CN(CCC[NH3+])CC2CCCC2)c1 ZINC000629654447 361558287 /nfs/dbraw/zinc/55/82/87/361558287.db2.gz OWWPJNBDEDIKFE-UHFFFAOYSA-N 1 3 249.402 2.366 20 0 BEADHO Cn1ccc(C[N@H+](CCCN)CC2CCCC2)c1 ZINC000629654447 361558294 /nfs/dbraw/zinc/55/82/94/361558294.db2.gz OWWPJNBDEDIKFE-UHFFFAOYSA-N 1 3 249.402 2.366 20 0 BEADHO Cn1ccc(C[N@@H+](CCCN)CC2CCCC2)c1 ZINC000629654447 361558298 /nfs/dbraw/zinc/55/82/98/361558298.db2.gz OWWPJNBDEDIKFE-UHFFFAOYSA-N 1 3 249.402 2.366 20 0 BEADHO COC1(CNCC2([NH3+])CCCCC2)CCCC1 ZINC000629648113 361539285 /nfs/dbraw/zinc/53/92/85/361539285.db2.gz OQYGRNQRIDMEIO-UHFFFAOYSA-N 1 3 240.391 2.197 20 0 BEADHO CC[N@H+](CCCOC(C)C)[C@@H]1CCCNCC1 ZINC000435615276 201280292 /nfs/dbraw/zinc/28/02/92/201280292.db2.gz PCKWINQKMTZFBF-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO CC[N@@H+](CCCOC(C)C)[C@@H]1CCCNCC1 ZINC000435615276 201280295 /nfs/dbraw/zinc/28/02/95/201280295.db2.gz PCKWINQKMTZFBF-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO C[NH2+]CCCN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000435871731 201293984 /nfs/dbraw/zinc/29/39/84/201293984.db2.gz LJDMVYQHYQLNOR-HIFRSBDPSA-N 1 3 232.371 2.474 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000437793044 201373814 /nfs/dbraw/zinc/37/38/14/201373814.db2.gz MSIDOQKCNOZYRK-KGLIPLIRSA-N 1 3 236.334 2.400 20 0 BEADHO C[C@@H]1[C@H]([NH2+]CCCN)C[C@@H]1c1ccccc1 ZINC000437759643 201372221 /nfs/dbraw/zinc/37/22/21/201372221.db2.gz DOAWTWQHKXQQMK-FPMFFAJLSA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H]1[C@H](NCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000437759643 201372225 /nfs/dbraw/zinc/37/22/25/201372225.db2.gz DOAWTWQHKXQQMK-FPMFFAJLSA-N 1 3 218.344 2.117 20 0 BEADHO CC1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398971077 364401952 /nfs/dbraw/zinc/40/19/52/364401952.db2.gz WBDZXLQYWUOUOZ-POOIEITISA-N 1 3 210.365 2.295 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CC2(C)CC2)CC1 ZINC000573541843 364856492 /nfs/dbraw/zinc/85/64/92/364856492.db2.gz MXBDXWRLIWFBKR-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CC2(C)CC2)CC1 ZINC000573541843 364856497 /nfs/dbraw/zinc/85/64/97/364856497.db2.gz MXBDXWRLIWFBKR-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH+](C)[C@@H]1CCCN(CC2(C)CC2)CC1 ZINC000573541843 364856503 /nfs/dbraw/zinc/85/65/03/364856503.db2.gz MXBDXWRLIWFBKR-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(F)c(F)c1 ZINC000573711444 364899021 /nfs/dbraw/zinc/89/90/21/364899021.db2.gz TVWKJGYTLMDADS-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000573711444 364899025 /nfs/dbraw/zinc/89/90/25/364899025.db2.gz TVWKJGYTLMDADS-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000574191057 365007029 /nfs/dbraw/zinc/00/70/29/365007029.db2.gz ALMNGMSDWKCLKF-LOWDOPEQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000574269158 365022878 /nfs/dbraw/zinc/02/28/78/365022878.db2.gz LBQXRGUQMFZJHX-AAEUAGOBSA-N 1 3 222.332 2.462 20 0 BEADHO C[C@@H](C[N@H+](C)CCCN)c1ccc(F)cc1 ZINC000574277869 365026181 /nfs/dbraw/zinc/02/61/81/365026181.db2.gz VDEGMHSNZZHNBV-NSHDSACASA-N 1 3 224.323 2.210 20 0 BEADHO C[C@@H](C[N@@H+](C)CCCN)c1ccc(F)cc1 ZINC000574277869 365026184 /nfs/dbraw/zinc/02/61/84/365026184.db2.gz VDEGMHSNZZHNBV-NSHDSACASA-N 1 3 224.323 2.210 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)o1 ZINC000574563067 365088905 /nfs/dbraw/zinc/08/89/05/365088905.db2.gz NKRNUTSKEKENPO-OCCSQVGLSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCC[C@@H]2C[NH3+])o1 ZINC000574563067 365088909 /nfs/dbraw/zinc/08/89/09/365088909.db2.gz NKRNUTSKEKENPO-OCCSQVGLSA-N 1 3 236.359 2.238 20 0 BEADHO Cc1ccc2nccc(NC[C@H](C)[NH+](C)C)c2c1 ZINC000443429275 193020328 /nfs/dbraw/zinc/02/03/28/193020328.db2.gz KRZHWKBLGYIBNJ-LBPRGKRZSA-N 1 3 243.354 2.327 20 0 BEADHO N[C@@H](C[NH2+][C@@H]1CCCNc2ccccc21)C1CC1 ZINC000579581003 366887268 /nfs/dbraw/zinc/88/72/68/366887268.db2.gz PAKQTYIDXMFCIQ-DZGCQCFKSA-N 1 3 245.370 2.260 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccnc2ccccc12 ZINC000576009989 365448510 /nfs/dbraw/zinc/44/85/10/365448510.db2.gz AUJRQFCYPBEQBH-GFCCVEGCSA-N 1 3 229.327 2.062 20 0 BEADHO CCNCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000576099194 365483344 /nfs/dbraw/zinc/48/33/44/365483344.db2.gz HEHUBINCOWDRDZ-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+]C[C@H]1CCCN(CCCc2ccsc2)C1 ZINC000579712576 366989225 /nfs/dbraw/zinc/98/92/25/366989225.db2.gz RXGFIOPISDBOFU-CYBMUJFWSA-N 1 3 238.400 2.351 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cc(C)sc1C ZINC000579809482 367017201 /nfs/dbraw/zinc/01/72/01/367017201.db2.gz CQKGYZIIXLCHMO-LLVKDONJSA-N 1 3 212.362 2.192 20 0 BEADHO CCO[C@H](CC[NH2+][C@H]1CCC[C@H](N)C1)C(C)C ZINC000581439802 367472440 /nfs/dbraw/zinc/47/24/40/367472440.db2.gz JPXRBLOJWCVMQB-MELADBBJSA-N 1 3 242.407 2.297 20 0 BEADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H](N)C1)C(C)C ZINC000581439800 367472763 /nfs/dbraw/zinc/47/27/63/367472763.db2.gz JPXRBLOJWCVMQB-BFHYXJOUSA-N 1 3 242.407 2.297 20 0 BEADHO CCO[C@H](CC[NH2+][C@H]1CCC[C@@H](N)C1)C(C)C ZINC000581439801 367473106 /nfs/dbraw/zinc/47/31/06/367473106.db2.gz JPXRBLOJWCVMQB-HZSPNIEDSA-N 1 3 242.407 2.297 20 0 BEADHO Cc1csc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000382080722 367484374 /nfs/dbraw/zinc/48/43/74/367484374.db2.gz IFOZBXQRNJDMGO-MNOVXSKESA-N 1 3 224.373 2.416 20 0 BEADHO Cc1csc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000382080726 367484595 /nfs/dbraw/zinc/48/45/95/367484595.db2.gz IFOZBXQRNJDMGO-WDEREUQCSA-N 1 3 224.373 2.416 20 0 BEADHO CC[C@@H]([NH2+]CCCNC1CC1)C1CCC1 ZINC000382587889 367544697 /nfs/dbraw/zinc/54/46/97/367544697.db2.gz VZRYRLUZRYBFGY-CYBMUJFWSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH2+]CCNC[C@H]1CCC[C@@H](C)C1 ZINC000383112717 367598311 /nfs/dbraw/zinc/59/83/11/367598311.db2.gz IDESIYQXLOEIHT-OLZOCXBDSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000384512704 367695393 /nfs/dbraw/zinc/69/53/93/367695393.db2.gz HOXLCTAGFRESIV-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000384940040 367761081 /nfs/dbraw/zinc/76/10/81/367761081.db2.gz QSJQFYDBEXNQBJ-OUCADQQQSA-N 1 3 240.391 2.016 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000581878549 367866125 /nfs/dbraw/zinc/86/61/25/367866125.db2.gz NYDVNYWJTDLHKD-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCNC2)[C@@H]1C ZINC000386090844 367911113 /nfs/dbraw/zinc/91/11/13/367911113.db2.gz FVSQYSOAOFXZSM-NDBYEHHHSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000083390742 368771888 /nfs/dbraw/zinc/77/18/88/368771888.db2.gz HEWSJGGECOMNGV-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623657096 368997985 /nfs/dbraw/zinc/99/79/85/368997985.db2.gz JRBYVINUVSXNDU-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623657096 368997987 /nfs/dbraw/zinc/99/79/87/368997987.db2.gz JRBYVINUVSXNDU-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000623655837 368991174 /nfs/dbraw/zinc/99/11/74/368991174.db2.gz GZPJSKKWKHMYDS-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CN1CCCC[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000623656519 368993358 /nfs/dbraw/zinc/99/33/58/368993358.db2.gz VYVWTDRIHWTFJI-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656345 368993538 /nfs/dbraw/zinc/99/35/38/368993538.db2.gz SFHFTFUTXJPCJT-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CN(C)CCOc1ccc(C[NH2+]C2CCC2)cc1 ZINC000107322805 369342426 /nfs/dbraw/zinc/34/24/26/369342426.db2.gz USLGHOZGJPIDES-UHFFFAOYSA-N 1 3 248.370 2.269 20 0 BEADHO CSCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250930091 369622542 /nfs/dbraw/zinc/62/25/42/369622542.db2.gz CHRDHUPQJFZAFH-YNEHKIRRSA-N 1 3 242.432 2.250 20 0 BEADHO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000621377191 370318796 /nfs/dbraw/zinc/31/87/96/370318796.db2.gz RLPVRLHYEACPML-TUAOUCFPSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000621377191 370318799 /nfs/dbraw/zinc/31/87/99/370318799.db2.gz RLPVRLHYEACPML-TUAOUCFPSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000621377191 370318804 /nfs/dbraw/zinc/31/88/04/370318804.db2.gz RLPVRLHYEACPML-TUAOUCFPSA-N 1 3 244.329 2.248 20 0 BEADHO FCC1([NH2+]C2CCN(CC3CC3)CC2)CCC1 ZINC000568396124 326353935 /nfs/dbraw/zinc/35/39/35/326353935.db2.gz VJYGUVQOEPRWHV-UHFFFAOYSA-N 1 3 240.366 2.343 20 0 BEADHO Cc1cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])ccn1 ZINC000621776327 370524059 /nfs/dbraw/zinc/52/40/59/370524059.db2.gz JCDVDBSOLBTJKP-SWLSCSKDSA-N 1 3 247.386 2.339 20 0 BEADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000621784342 370535610 /nfs/dbraw/zinc/53/56/10/370535610.db2.gz NMHIZCRZBGGINZ-QMIVOQANSA-N 1 3 234.387 2.236 20 0 BEADHO CC1CC([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624121672 371322920 /nfs/dbraw/zinc/32/29/20/371322920.db2.gz ARLKEHGZLFFORK-OTTFEQOBSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccncc1 ZINC000624122646 371323009 /nfs/dbraw/zinc/32/30/09/371323009.db2.gz XNAKRCPUCLYEIP-UONOGXRCSA-N 1 3 247.386 2.464 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631834297 372619214 /nfs/dbraw/zinc/61/92/14/372619214.db2.gz UIEVQCJYYBKULO-ZDUSSCGKSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OCCC[N@H+]1CCCCC[C@H](N)C1 ZINC000631834297 372619218 /nfs/dbraw/zinc/61/92/18/372619218.db2.gz UIEVQCJYYBKULO-ZDUSSCGKSA-N 1 3 228.380 2.005 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631842734 372641203 /nfs/dbraw/zinc/64/12/03/372641203.db2.gz FBSGSNLGATZWEH-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631842734 372641206 /nfs/dbraw/zinc/64/12/06/372641206.db2.gz FBSGSNLGATZWEH-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](N)C[C@@H]2C)c(C)c1 ZINC000631863370 372666693 /nfs/dbraw/zinc/66/66/93/372666693.db2.gz ZQCDIEMGBPORTE-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](N)C[C@@H]2C)c(C)c1 ZINC000631863370 372666698 /nfs/dbraw/zinc/66/66/98/372666698.db2.gz ZQCDIEMGBPORTE-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCC2)CC1 ZINC000631873778 372675448 /nfs/dbraw/zinc/67/54/48/372675448.db2.gz WBCADJVWECMQBS-UKRRQHHQSA-N 1 3 236.403 2.498 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424381316 206039666 /nfs/dbraw/zinc/03/96/66/206039666.db2.gz YJXAVLUQEQUKPS-XDQVBPFNSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H]1[C@H]([NH2+]CCCN)C[C@H]1c1ccccc1 ZINC000437759644 206070593 /nfs/dbraw/zinc/07/05/93/206070593.db2.gz DOAWTWQHKXQQMK-IACUBPJLSA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H]1[C@H](NCCC[NH3+])C[C@H]1c1ccccc1 ZINC000437759644 206070596 /nfs/dbraw/zinc/07/05/96/206070596.db2.gz DOAWTWQHKXQQMK-IACUBPJLSA-N 1 3 218.344 2.117 20 0 BEADHO CCCN1CC[C@H](C[NH2+]CCC(C)C)C1 ZINC000076453762 169206172 /nfs/dbraw/zinc/20/61/72/169206172.db2.gz QETFLROOSXLZSY-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000309942948 169206435 /nfs/dbraw/zinc/20/64/35/169206435.db2.gz CGXZLYTYHQSSOW-OLZOCXBDSA-N 1 3 242.432 2.061 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309946607 169207287 /nfs/dbraw/zinc/20/72/87/169207287.db2.gz DOXOSQANLWWOOE-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000309976881 169209435 /nfs/dbraw/zinc/20/94/35/169209435.db2.gz UBJWWFHJAFZJFP-XJFOESAGSA-N 1 3 224.392 2.352 20 0 BEADHO c1ccc(CCCN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000336786239 183392290 /nfs/dbraw/zinc/39/22/90/183392290.db2.gz BLSBULBRIMFOLM-JKSUJKDBSA-N 1 3 244.382 2.161 20 0 BEADHO NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC000226419700 134365757 /nfs/dbraw/zinc/36/57/57/134365757.db2.gz NDAGZHGCYBWEQL-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000226419700 134365758 /nfs/dbraw/zinc/36/57/58/134365758.db2.gz NDAGZHGCYBWEQL-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO CC[C@H](C)C[N@@H+](C)CC[C@@H](N)C(C)C ZINC000226431057 134365846 /nfs/dbraw/zinc/36/58/46/134365846.db2.gz YEMUEODYKFDVIA-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H](C)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000226431057 134365847 /nfs/dbraw/zinc/36/58/47/134365847.db2.gz YEMUEODYKFDVIA-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO C[C@]1(CN2CCCC(C)(C)C2)CC[NH2+]C1 ZINC000069794526 383844938 /nfs/dbraw/zinc/84/49/38/383844938.db2.gz GWRRDFXIQNEKCQ-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C2CCNCC2)s1 ZINC000049161921 383875542 /nfs/dbraw/zinc/87/55/42/383875542.db2.gz OUXNKJICTGUSJV-SNVBAGLBSA-N 1 3 224.373 2.459 20 0 BEADHO C[C@H]1OCC[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119892414 383913351 /nfs/dbraw/zinc/91/33/51/383913351.db2.gz KZUBRNOTIIBNDQ-PWSUYJOCSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@H]1OCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000119892414 383913356 /nfs/dbraw/zinc/91/33/56/383913356.db2.gz KZUBRNOTIIBNDQ-PWSUYJOCSA-N 1 3 240.391 2.063 20 0 BEADHO CC1(C)CC([NH2+]CCCN2CCCC2)C1 ZINC000309127018 383932747 /nfs/dbraw/zinc/93/27/47/383932747.db2.gz QCETUEUQIOZJNC-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403339377 383948388 /nfs/dbraw/zinc/94/83/88/383948388.db2.gz IMDLCRGKSADQRM-HTOAHKCRSA-N 1 3 222.376 2.140 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545970 384013673 /nfs/dbraw/zinc/01/36/73/384013673.db2.gz GOMWVZDBCXCGIX-QWHCGFSZSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1C ZINC000235886373 384029107 /nfs/dbraw/zinc/02/91/07/384029107.db2.gz AVNCUALOUOMKAV-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)cc1C ZINC000235886373 384029113 /nfs/dbraw/zinc/02/91/13/384029113.db2.gz AVNCUALOUOMKAV-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@](C)(CN)C2)cc1C ZINC000235886373 384029119 /nfs/dbraw/zinc/02/91/19/384029119.db2.gz AVNCUALOUOMKAV-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@@H](Cc1ccoc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547397 384033853 /nfs/dbraw/zinc/03/38/53/384033853.db2.gz DTWINHLYJVGBFH-JSGCOSHPSA-N 1 3 248.370 2.475 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547397 384033854 /nfs/dbraw/zinc/03/38/54/384033854.db2.gz DTWINHLYJVGBFH-JSGCOSHPSA-N 1 3 248.370 2.475 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549042 384038432 /nfs/dbraw/zinc/03/84/32/384038432.db2.gz ZJEOUXFIOBDNFN-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000070748371 384135955 /nfs/dbraw/zinc/13/59/55/384135955.db2.gz CIAKVSYCOLMDBW-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746517 384125688 /nfs/dbraw/zinc/12/56/88/384125688.db2.gz VZUHFPVHQGQLGI-FUNVUKJBSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@H]([NH2+]C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000132627330 384241395 /nfs/dbraw/zinc/24/13/95/384241395.db2.gz INAWFOBLRVKIOT-LBPRGKRZSA-N 1 3 248.370 2.440 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000082645633 384253853 /nfs/dbraw/zinc/25/38/53/384253853.db2.gz YACRAAHCUORGQV-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645633 384253858 /nfs/dbraw/zinc/25/38/58/384253858.db2.gz YACRAAHCUORGQV-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@](C)(C[NH2+]C[C@@H](C)CN1CCCC1)OC ZINC000319536617 384254612 /nfs/dbraw/zinc/25/46/12/384254612.db2.gz AXNBFQLWKBSQPC-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(CNC[C@@H](C)C[NH+]1CCCC1)OC ZINC000319536617 384254618 /nfs/dbraw/zinc/25/46/18/384254618.db2.gz AXNBFQLWKBSQPC-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000228471959 384258432 /nfs/dbraw/zinc/25/84/32/384258432.db2.gz CJUGFXOBRUGASE-NWANDNLSSA-N 1 3 248.345 2.385 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000228537569 384274679 /nfs/dbraw/zinc/27/46/79/384274679.db2.gz XBSFAUXONVIAPO-JHJVBQTASA-N 1 3 236.384 2.307 20 0 BEADHO CCCN(CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000179422367 384290021 /nfs/dbraw/zinc/29/00/21/384290021.db2.gz VZPCDRCBSABSDQ-LBPRGKRZSA-N 1 3 210.365 2.345 20 0 BEADHO CCCN(CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000179422367 384290027 /nfs/dbraw/zinc/29/00/27/384290027.db2.gz VZPCDRCBSABSDQ-LBPRGKRZSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC[C@H]2C)CO1 ZINC000401975651 384355618 /nfs/dbraw/zinc/35/56/18/384355618.db2.gz TYHVZPFCXWSQAL-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CN(CC[C@H]1CCC[N@@H+]1C)CC(C)(C)C ZINC000120497813 384357926 /nfs/dbraw/zinc/35/79/26/384357926.db2.gz FIXNWEYKALBDPE-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CN(CC[C@H]1CCC[N@H+]1C)CC(C)(C)C ZINC000120497813 384357934 /nfs/dbraw/zinc/35/79/34/384357934.db2.gz FIXNWEYKALBDPE-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835953 384358050 /nfs/dbraw/zinc/35/80/50/384358050.db2.gz IXGJBPWTMYVJNX-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835953 384358054 /nfs/dbraw/zinc/35/80/54/384358054.db2.gz IXGJBPWTMYVJNX-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835953 384358066 /nfs/dbraw/zinc/35/80/66/384358066.db2.gz IXGJBPWTMYVJNX-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](N)[C@@H](C)C2)c(C)c1 ZINC000235648877 384361251 /nfs/dbraw/zinc/36/12/51/384361251.db2.gz PVDVYHSYHAJGHT-JSGCOSHPSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](N)[C@@H](C)C2)c(C)c1 ZINC000235648877 384361258 /nfs/dbraw/zinc/36/12/58/384361258.db2.gz PVDVYHSYHAJGHT-JSGCOSHPSA-N 1 3 218.344 2.082 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccs1 ZINC000084215707 384377626 /nfs/dbraw/zinc/37/76/26/384377626.db2.gz BRXJBWRVKOKWHO-ZYHUDNBSSA-N 1 3 224.373 2.355 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC(F)F ZINC000647227016 384437945 /nfs/dbraw/zinc/43/79/45/384437945.db2.gz MHPXLQQJUSHISC-QJPTWQEYSA-N 1 3 246.345 2.494 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000306009754 384468633 /nfs/dbraw/zinc/46/86/33/384468633.db2.gz OPRQXJCVCQOAAA-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO COC(C)(C)[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000306009754 384468637 /nfs/dbraw/zinc/46/86/37/384468637.db2.gz OPRQXJCVCQOAAA-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC1(C)C ZINC000309568676 384527096 /nfs/dbraw/zinc/52/70/96/384527096.db2.gz MZZWRWWWEZDYFM-WCQYABFASA-N 1 3 222.376 2.273 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000449082834 384554396 /nfs/dbraw/zinc/55/43/96/384554396.db2.gz QEQXDSBBTJBWJZ-SNPRPXQTSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000449082834 384554406 /nfs/dbraw/zinc/55/44/06/384554406.db2.gz QEQXDSBBTJBWJZ-SNPRPXQTSA-N 1 3 248.370 2.427 20 0 BEADHO CSC1(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000309728986 384560529 /nfs/dbraw/zinc/56/05/29/384560529.db2.gz ZABOWUIHRNPWNX-NWDGAFQWSA-N 1 3 242.432 2.344 20 0 BEADHO CC(C)[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040621553 384590788 /nfs/dbraw/zinc/59/07/88/384590788.db2.gz AFXVSPFALRJPHW-QWHCGFSZSA-N 1 3 212.381 2.351 20 0 BEADHO C[C@@H](CC[NH2+]C[C@H]1C[C@H]1C)N1CCCCC1 ZINC000309757139 384588624 /nfs/dbraw/zinc/58/86/24/384588624.db2.gz LURZBBUMBMFANN-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000568248684 384620895 /nfs/dbraw/zinc/62/08/95/384620895.db2.gz XWIVASLKZZZUOQ-BNDIWNMDSA-N 1 3 208.349 2.035 20 0 BEADHO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCNC ZINC000309852653 384671247 /nfs/dbraw/zinc/67/12/47/384671247.db2.gz YQEKRGJPOBHMKI-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCNC ZINC000309852653 384671256 /nfs/dbraw/zinc/67/12/56/384671256.db2.gz YQEKRGJPOBHMKI-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[NH+]1CCC(NC[C@H]2CCCCO2)CC1 ZINC000042225567 384635657 /nfs/dbraw/zinc/63/56/57/384635657.db2.gz DSTZCKFAOZXSPJ-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CCC(CC)[N@H+](CCCN)CC(C)C ZINC000086453403 384650573 /nfs/dbraw/zinc/65/05/73/384650573.db2.gz TZKHHUMJMGLIIW-UHFFFAOYSA-N 1 3 200.370 2.482 20 0 BEADHO CCC(CC)[N@@H+](CCCN)CC(C)C ZINC000086453403 384650575 /nfs/dbraw/zinc/65/05/75/384650575.db2.gz TZKHHUMJMGLIIW-UHFFFAOYSA-N 1 3 200.370 2.482 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000556934003 384661921 /nfs/dbraw/zinc/66/19/21/384661921.db2.gz BFLAAUHXNHKLPV-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC(F)(F)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000357718319 384681918 /nfs/dbraw/zinc/68/19/18/384681918.db2.gz VUOHEWMHNYBVDU-WDEREUQCSA-N 1 3 232.318 2.248 20 0 BEADHO CC(F)(F)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000357718319 384681923 /nfs/dbraw/zinc/68/19/23/384681923.db2.gz VUOHEWMHNYBVDU-WDEREUQCSA-N 1 3 232.318 2.248 20 0 BEADHO CN(CCCC(C)(C)C)C1CC[NH2+]CC1 ZINC000300919804 384712693 /nfs/dbraw/zinc/71/26/93/384712693.db2.gz SYYNMZCQIRTWPQ-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](CCN(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000125628149 384738861 /nfs/dbraw/zinc/73/88/61/384738861.db2.gz VJOQNKADTYDXGW-SNVBAGLBSA-N 1 3 242.313 2.395 20 0 BEADHO C[C@@H](NC1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000335037242 384779340 /nfs/dbraw/zinc/77/93/40/384779340.db2.gz BSCWARQBJXOYQX-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]([NH2+]C1CCCCCC1)[C@H]1CCCN1 ZINC000335037242 384779346 /nfs/dbraw/zinc/77/93/46/384779346.db2.gz BSCWARQBJXOYQX-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2cnccc2c1 ZINC000647552277 384756687 /nfs/dbraw/zinc/75/66/87/384756687.db2.gz ORAZQCJKKCLVJT-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423359618 384831423 /nfs/dbraw/zinc/83/14/23/384831423.db2.gz DNBMDZLTHMHZQA-DGAVXFQQSA-N 1 3 240.391 2.051 20 0 BEADHO CCCC[C@H](COC)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000163276673 384781759 /nfs/dbraw/zinc/78/17/59/384781759.db2.gz TVZCUCTWOKOXMN-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@H](COC)NC[C@@H]1CC[N@H+](CC)C1 ZINC000163276673 384781767 /nfs/dbraw/zinc/78/17/67/384781767.db2.gz TVZCUCTWOKOXMN-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@H](COC)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000163276673 384781774 /nfs/dbraw/zinc/78/17/74/384781774.db2.gz TVZCUCTWOKOXMN-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000310013058 384784101 /nfs/dbraw/zinc/78/41/01/384784101.db2.gz JMTKCPPXYJJJGY-FKZOYECMSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000310013058 384784108 /nfs/dbraw/zinc/78/41/08/384784108.db2.gz JMTKCPPXYJJJGY-FKZOYECMSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000310013058 384784112 /nfs/dbraw/zinc/78/41/12/384784112.db2.gz JMTKCPPXYJJJGY-FKZOYECMSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCCNC1 ZINC000423332192 384801482 /nfs/dbraw/zinc/80/14/82/384801482.db2.gz HBTRLQJPUUISQR-RDBSUJKOSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCSc2ccccc21 ZINC000309254522 384805995 /nfs/dbraw/zinc/80/59/95/384805995.db2.gz AFHWYLJEXYVGQC-PWSUYJOCSA-N 1 3 236.384 2.408 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C(C)(C)C ZINC000308645540 384886759 /nfs/dbraw/zinc/88/67/59/384886759.db2.gz HJJUQGCDDDEWEE-WDEREUQCSA-N 1 3 200.370 2.208 20 0 BEADHO C[C@@H](CCC1CC1)NCC[C@H]1CCC[NH2+]1 ZINC000398197582 384839003 /nfs/dbraw/zinc/83/90/03/384839003.db2.gz DFYCISKINUNFDU-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CN1CC=C(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403677727 384850541 /nfs/dbraw/zinc/85/05/41/384850541.db2.gz PLNXXFYURNBWPU-KFWWJZLASA-N 1 3 234.387 2.274 20 0 BEADHO COc1ccc(C)cc1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000259239214 384958676 /nfs/dbraw/zinc/95/86/76/384958676.db2.gz YHQADCDHTLTGKP-UONOGXRCSA-N 1 3 248.370 2.016 20 0 BEADHO CC[C@H]([NH2+]CCCN(C)C(C)C)[C@@H]1CCOC1 ZINC000336677884 384930086 /nfs/dbraw/zinc/93/00/86/384930086.db2.gz ACJJZFMAPUDDDQ-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+]C1CCCCC1)[C@H]1CCCNC1 ZINC000129792237 385013722 /nfs/dbraw/zinc/01/37/22/385013722.db2.gz QZAHXWCKDGAGDS-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404775705 385054468 /nfs/dbraw/zinc/05/44/68/385054468.db2.gz SNKSFQUUZOKWEO-CHWSQXEVSA-N 1 3 218.344 2.210 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCOc1ccccc1 ZINC000404784583 385064954 /nfs/dbraw/zinc/06/49/54/385064954.db2.gz PAFIFGKAVUOHQS-KGLIPLIRSA-N 1 3 248.370 2.171 20 0 BEADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397324450 385082463 /nfs/dbraw/zinc/08/24/63/385082463.db2.gz OFGFDTAYXTZXAB-RVMXOQNASA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397324450 385082467 /nfs/dbraw/zinc/08/24/67/385082467.db2.gz OFGFDTAYXTZXAB-RVMXOQNASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423567888 385028790 /nfs/dbraw/zinc/02/87/90/385028790.db2.gz VGLMBZKCAPEEFQ-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO CN(CCCF)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000156986736 385038210 /nfs/dbraw/zinc/03/82/10/385038210.db2.gz PRIPDAVVWRXXJE-CYBMUJFWSA-N 1 3 248.361 2.492 20 0 BEADHO CN(CCCF)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000156986736 385038218 /nfs/dbraw/zinc/03/82/18/385038218.db2.gz PRIPDAVVWRXXJE-CYBMUJFWSA-N 1 3 248.361 2.492 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000129200348 385119484 /nfs/dbraw/zinc/11/94/84/385119484.db2.gz TWTNUQJEWRGBNN-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000129200348 385119486 /nfs/dbraw/zinc/11/94/86/385119486.db2.gz TWTNUQJEWRGBNN-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CN(C)CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000151941101 385142349 /nfs/dbraw/zinc/14/23/49/385142349.db2.gz GZVORDZBWYKYQX-CQSZACIVSA-N 1 3 248.370 2.442 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200527 385106620 /nfs/dbraw/zinc/10/66/20/385106620.db2.gz WAJVGTQPDLBEFU-UMVBOHGHSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200527 385106622 /nfs/dbraw/zinc/10/66/22/385106622.db2.gz WAJVGTQPDLBEFU-UMVBOHGHSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000227200527 385106628 /nfs/dbraw/zinc/10/66/28/385106628.db2.gz WAJVGTQPDLBEFU-UMVBOHGHSA-N 1 3 232.371 2.459 20 0 BEADHO Cc1ccoc1CN[C@H](C)CCCC[NH3+] ZINC000308821350 385192158 /nfs/dbraw/zinc/19/21/58/385192158.db2.gz GRPDCVSNNQXOFH-LLVKDONJSA-N 1 3 210.321 2.195 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479296 385150635 /nfs/dbraw/zinc/15/06/35/385150635.db2.gz AVRCXUDKDQWCCJ-SYQHCUMBSA-N 1 3 222.376 2.106 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CC12CC2 ZINC000424373918 385153668 /nfs/dbraw/zinc/15/36/68/385153668.db2.gz KFICGXOWJWLBKU-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CCOC[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252709043 385178524 /nfs/dbraw/zinc/17/85/24/385178524.db2.gz BWEAWHYGZOGJIB-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000252709043 385178531 /nfs/dbraw/zinc/17/85/31/385178531.db2.gz BWEAWHYGZOGJIB-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252709043 385178539 /nfs/dbraw/zinc/17/85/39/385178539.db2.gz BWEAWHYGZOGJIB-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)CN(C)C ZINC000308881014 385235495 /nfs/dbraw/zinc/23/54/95/385235495.db2.gz UJVFUTQTIYIFQT-GRYCIOLGSA-N 1 3 212.381 2.208 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000308950226 385311994 /nfs/dbraw/zinc/31/19/94/385311994.db2.gz OWUPLNSRBKJBKC-GFCCVEGCSA-N 1 3 208.349 2.027 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCCc2sccc21 ZINC000308976459 385329187 /nfs/dbraw/zinc/32/91/87/385329187.db2.gz IPUOYGCWHAPBCK-KOLCDFICSA-N 1 3 224.373 2.310 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000228149002 385347502 /nfs/dbraw/zinc/34/75/02/385347502.db2.gz LLTNFRPXZNJWMF-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000228152727 385348929 /nfs/dbraw/zinc/34/89/29/385348929.db2.gz PRCNGZXCSUWUII-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000309006284 385356709 /nfs/dbraw/zinc/35/67/09/385356709.db2.gz URYNCUWCPFTWQM-VHSXEESVSA-N 1 3 210.296 2.071 20 0 BEADHO CCSCC[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000309031107 385379787 /nfs/dbraw/zinc/37/97/87/385379787.db2.gz DVALDGBJSLEBDQ-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@@H]1CCC[N@H+](CC)C1 ZINC000309031107 385379790 /nfs/dbraw/zinc/37/97/90/385379790.db2.gz DVALDGBJSLEBDQ-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@@H]1CCC[N@@H+](CC)C1 ZINC000309031107 385379792 /nfs/dbraw/zinc/37/97/92/385379792.db2.gz DVALDGBJSLEBDQ-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CC1(C)C ZINC000309444123 385584305 /nfs/dbraw/zinc/58/43/05/385584305.db2.gz KXKPWEVJLZHUNY-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCC(C)C ZINC000414849301 385624942 /nfs/dbraw/zinc/62/49/42/385624942.db2.gz XYWVNZCDJZGWSU-NEPJUHHUSA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000414849768 385629203 /nfs/dbraw/zinc/62/92/03/385629203.db2.gz YNPNLMCOVZJLQZ-UMSGYPCISA-N 1 3 212.381 2.256 20 0 BEADHO C(C[NH2+][C@H]1CCC12CCC2)CN1CCCC1 ZINC000336683581 385647722 /nfs/dbraw/zinc/64/77/22/385647722.db2.gz SJQJNYQYBWHMQO-ZDUSSCGKSA-N 1 3 222.376 2.395 20 0 BEADHO Cc1cscc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309515051 385654502 /nfs/dbraw/zinc/65/45/02/385654502.db2.gz YJBNZZNXAOZQOG-GXFFZTMASA-N 1 3 238.400 2.486 20 0 BEADHO Cc1cscc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000309515051 385654507 /nfs/dbraw/zinc/65/45/07/385654507.db2.gz YJBNZZNXAOZQOG-GXFFZTMASA-N 1 3 238.400 2.486 20 0 BEADHO CNC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC000414852345 385675346 /nfs/dbraw/zinc/67/53/46/385675346.db2.gz RAJOUOTYZMMAPE-GFCCVEGCSA-N 1 3 212.381 2.402 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C ZINC000414853097 385681684 /nfs/dbraw/zinc/68/16/84/385681684.db2.gz RTDPPQPTILGKGH-NWDGAFQWSA-N 1 3 200.370 2.114 20 0 BEADHO C(N[C@H]1CCCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414853787 385690453 /nfs/dbraw/zinc/69/04/53/385690453.db2.gz YCKAIYSETACBFS-MJBXVCDLSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H]1CCCC[C@@H]1C1CC1)[C@@H]1CCCN1 ZINC000414853787 385690457 /nfs/dbraw/zinc/69/04/57/385690457.db2.gz YCKAIYSETACBFS-MJBXVCDLSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H](c1ccccc1)C1CC1 ZINC000336688914 385706657 /nfs/dbraw/zinc/70/66/57/385706657.db2.gz VWUNXRXGOFEUTB-SMDDNHRTSA-N 1 3 218.344 2.322 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000309579221 385711457 /nfs/dbraw/zinc/71/14/57/385711457.db2.gz PWEWSLGBHJYDJE-CYBMUJFWSA-N 1 3 230.396 2.120 20 0 BEADHO CCCC[C@H](COC)N[C@H](C[NH3+])CC(C)C ZINC000414856405 385711698 /nfs/dbraw/zinc/71/16/98/385711698.db2.gz YXUULHHYEOLDFX-OLZOCXBDSA-N 1 3 230.396 2.155 20 0 BEADHO Cc1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000414858579 385736216 /nfs/dbraw/zinc/73/62/16/385736216.db2.gz SAVIIHZESYJWGW-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185709240 385736479 /nfs/dbraw/zinc/73/64/79/385736479.db2.gz AGFMLAUXFKWXCB-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+]CCCNC)C1 ZINC000414859802 385738408 /nfs/dbraw/zinc/73/84/08/385738408.db2.gz NXECSKXEWXHLQI-CHWSQXEVSA-N 1 3 212.381 2.402 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCCC(C)C ZINC000414861591 385753235 /nfs/dbraw/zinc/75/32/35/385753235.db2.gz SCYOVCSVZPDRDT-LBPRGKRZSA-N 1 3 200.370 2.400 20 0 BEADHO CNCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000414864533 385763626 /nfs/dbraw/zinc/76/36/26/385763626.db2.gz ZJQCHLXNUPZNCA-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C(CC1CCCCCC1)[NH2+][C@H]1CCNC1 ZINC000414864125 385766179 /nfs/dbraw/zinc/76/61/79/385766179.db2.gz BIJNTWCBLKLICG-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CN(C)C ZINC000336655853 385766974 /nfs/dbraw/zinc/76/69/74/385766974.db2.gz ABWPWNHMHVEWOJ-FRRDWIJNSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](CCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000414866232 385774025 /nfs/dbraw/zinc/77/40/25/385774025.db2.gz MRQZLSLYRHKZNB-BDAKNGLRSA-N 1 3 224.270 2.059 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414944867 385784094 /nfs/dbraw/zinc/78/40/94/385784094.db2.gz QORUWWDPXWGEBD-FQUUOJAGSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000414944872 385785031 /nfs/dbraw/zinc/78/50/31/385785031.db2.gz QORUWWDPXWGEBD-XUXIUFHCSA-N 1 3 224.392 2.399 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414856877 385719058 /nfs/dbraw/zinc/71/90/58/385719058.db2.gz BENJJTNYAJBOFR-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO [NH3+][C@H]1C[C@H](NCCCCF)c2ccccc21 ZINC000336654147 385721847 /nfs/dbraw/zinc/72/18/47/385721847.db2.gz JZQRZLUTXVCBHU-STQMWFEESA-N 1 3 222.307 2.471 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)CN(C)C ZINC000336713389 385806572 /nfs/dbraw/zinc/80/65/72/385806572.db2.gz VLRRGEPZQAKKME-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@H](NC[C@H](C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000647801126 385811115 /nfs/dbraw/zinc/81/11/15/385811115.db2.gz OQRRPFJTOQDGBI-VWYCJHECSA-N 1 3 234.334 2.398 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CC(F)F)[C@@H]1CCCN1 ZINC000647801126 385811121 /nfs/dbraw/zinc/81/11/21/385811121.db2.gz OQRRPFJTOQDGBI-VWYCJHECSA-N 1 3 234.334 2.398 20 0 BEADHO CC[C@H](NC[C@@H](C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000647801124 385811563 /nfs/dbraw/zinc/81/15/63/385811563.db2.gz OQRRPFJTOQDGBI-DCAQKATOSA-N 1 3 234.334 2.398 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CCCN1 ZINC000647801124 385811568 /nfs/dbraw/zinc/81/15/68/385811568.db2.gz OQRRPFJTOQDGBI-DCAQKATOSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)CC(F)F ZINC000647801454 385811838 /nfs/dbraw/zinc/81/18/38/385811838.db2.gz WDLZWMHOBGPAAW-HBNTYKKESA-N 1 3 234.334 2.255 20 0 BEADHO CCC[NH2+]CCNC[C@H]1CCCC[C@H]1C ZINC000414868188 385814536 /nfs/dbraw/zinc/81/45/36/385814536.db2.gz JPZJPBUPOPFFFN-CHWSQXEVSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000340172932 385819139 /nfs/dbraw/zinc/81/91/39/385819139.db2.gz DHFCSXUJOLOFSA-DOMZBBRYSA-N 1 3 232.371 2.494 20 0 BEADHO C[C@@H](C[NH3+])NCCCc1c(F)cccc1Cl ZINC000414948807 385820385 /nfs/dbraw/zinc/82/03/85/385820385.db2.gz YCQALTPXGBCFDJ-VIFPVBQESA-N 1 3 244.741 2.349 20 0 BEADHO Cc1sccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000294246911 385828082 /nfs/dbraw/zinc/82/80/82/385828082.db2.gz AELMVDDNDOLXIX-BETUJISGSA-N 1 3 236.384 2.050 20 0 BEADHO Cc1sccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000294246911 385828083 /nfs/dbraw/zinc/82/80/83/385828083.db2.gz AELMVDDNDOLXIX-BETUJISGSA-N 1 3 236.384 2.050 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414955467 385836645 /nfs/dbraw/zinc/83/66/45/385836645.db2.gz UHYKELUTEWLRJY-IVZWLZJFSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414955464 385837052 /nfs/dbraw/zinc/83/70/52/385837052.db2.gz UHYKELUTEWLRJY-AEJSXWLSSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414869626 385838391 /nfs/dbraw/zinc/83/83/91/385838391.db2.gz AYVDMCVRONKYEU-RJZRQDKASA-N 1 3 232.371 2.363 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647804800 385838542 /nfs/dbraw/zinc/83/85/42/385838542.db2.gz ZNWYDMPJDZWSRL-KSTCHIGDSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804639 385839281 /nfs/dbraw/zinc/83/92/81/385839281.db2.gz WHYGTOXMOPHGRS-GFJIZPEISA-N 1 3 242.382 2.492 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414869852 385840380 /nfs/dbraw/zinc/84/03/80/385840380.db2.gz BHNHYHFEAUOYHZ-VXGBXAGGSA-N 1 3 238.350 2.331 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647804007 385840397 /nfs/dbraw/zinc/84/03/97/385840397.db2.gz HOYGYSGSYQFBFD-HPCHECBXSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCCN1 ZINC000647804007 385840399 /nfs/dbraw/zinc/84/03/99/385840399.db2.gz HOYGYSGSYQFBFD-HPCHECBXSA-N 1 3 222.376 2.295 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1C(C)C ZINC000414956442 385846603 /nfs/dbraw/zinc/84/66/03/385846603.db2.gz NIAKDHYOSRQAKX-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO CC[NH2+][C@H](C)CNC1C[C@@H](C)C[C@H](C)C1 ZINC000414962900 385888186 /nfs/dbraw/zinc/88/81/86/385888186.db2.gz SUMOAJJIMCUDMP-SDDRHHMPSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414964269 385904224 /nfs/dbraw/zinc/90/42/24/385904224.db2.gz UQGMCOZCQFWLTN-IZIWTHDTSA-N 1 3 248.345 2.427 20 0 BEADHO NC1(C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC000414876404 385907128 /nfs/dbraw/zinc/90/71/28/385907128.db2.gz DIEIBRLKNKTBQJ-YWEYNIOJSA-N 1 3 216.328 2.171 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc(F)c2cccnc12 ZINC000414876796 385916121 /nfs/dbraw/zinc/91/61/21/385916121.db2.gz DXWKHSYDJYJOOE-SNVBAGLBSA-N 1 3 247.317 2.201 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000414966321 385919978 /nfs/dbraw/zinc/91/99/78/385919978.db2.gz WIEMTSDYAROIND-WUHRBBMRSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000335034027 385923034 /nfs/dbraw/zinc/92/30/34/385923034.db2.gz STUAYAFNUJSHHW-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000250840166 385926903 /nfs/dbraw/zinc/92/69/03/385926903.db2.gz DUKTYZWRNQUQGG-JYJNAYRXSA-N 1 3 244.382 2.261 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337990050 385870146 /nfs/dbraw/zinc/87/01/46/385870146.db2.gz SCMPCQRTMJSBTG-GJZGRUSLSA-N 1 3 234.387 2.417 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337990048 385870435 /nfs/dbraw/zinc/87/04/35/385870435.db2.gz SCMPCQRTMJSBTG-CABCVRRESA-N 1 3 234.387 2.417 20 0 BEADHO C[C@H](C[NH3+])CNC/C=C\c1ccc(F)cc1F ZINC000414873333 385873062 /nfs/dbraw/zinc/87/30/62/385873062.db2.gz HBALOOYPVPGHLD-MXQLGCADSA-N 1 3 240.297 2.162 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020804 385980758 /nfs/dbraw/zinc/98/07/58/385980758.db2.gz BDWKYJJUIGMLKA-HIFRSBDPSA-N 1 3 241.338 2.204 20 0 BEADHO Cc1cc(N)cc(C[NH2+]C[C@@H](N)CC(C)C)c1 ZINC000414972397 385983432 /nfs/dbraw/zinc/98/34/32/385983432.db2.gz XWCWUGBLHQSSPD-AWEZNQCLSA-N 1 3 235.375 2.040 20 0 BEADHO Cc1cc(N)cc(C[NH2+]C[C@H](N)CC(C)C)c1 ZINC000414972398 385983476 /nfs/dbraw/zinc/98/34/76/385983476.db2.gz XWCWUGBLHQSSPD-CQSZACIVSA-N 1 3 235.375 2.040 20 0 BEADHO C[C@@H](CNC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000414881355 385990668 /nfs/dbraw/zinc/99/06/68/385990668.db2.gz AHNVKGFZHBMUBF-DOMZBBRYSA-N 1 3 232.371 2.192 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCNC1 ZINC000414881448 385992285 /nfs/dbraw/zinc/99/22/85/385992285.db2.gz KZULKNWMIJSKHV-RKDXNWHRSA-N 1 3 224.270 2.059 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1C1CC1 ZINC000414967622 385931138 /nfs/dbraw/zinc/93/11/38/385931138.db2.gz XWHKVTAUWJPBHA-RTXFEEFZSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(C)c(C[NH2+]CC2(N)CCC2)c1 ZINC000342123737 385931876 /nfs/dbraw/zinc/93/18/76/385931876.db2.gz CPLASOQFRNUCTB-UHFFFAOYSA-N 1 3 218.344 2.274 20 0 BEADHO Cc1cnccc1CN(C)CC1CC[NH+](C)CC1 ZINC000294989537 385935382 /nfs/dbraw/zinc/93/53/82/385935382.db2.gz YAVGFLZJNVHFLG-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO Cc1cnccc1C[N@@H+](C)CC1CCN(C)CC1 ZINC000294989537 385935386 /nfs/dbraw/zinc/93/53/86/385935386.db2.gz YAVGFLZJNVHFLG-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO Cc1cnccc1C[N@H+](C)CC1CCN(C)CC1 ZINC000294989537 385935389 /nfs/dbraw/zinc/93/53/89/385935389.db2.gz YAVGFLZJNVHFLG-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335044236 385938952 /nfs/dbraw/zinc/93/89/52/385938952.db2.gz XWUARBRLFUUIBF-BLLLJJGKSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NC1Cc2ccccc2C1 ZINC000335044236 385938959 /nfs/dbraw/zinc/93/89/59/385938959.db2.gz XWUARBRLFUUIBF-BLLLJJGKSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H](NC1CCC([NH3+])CC1)c1ccncc1F ZINC000335048089 385943200 /nfs/dbraw/zinc/94/32/00/385943200.db2.gz AVZFEYFGNPXBML-WHXUTIOJSA-N 1 3 237.322 2.141 20 0 BEADHO CCc1ccc(CCNCC2([NH3+])CCC2)cc1 ZINC000342140868 385944306 /nfs/dbraw/zinc/94/43/06/385944306.db2.gz QZFVPLXGQXXPHJ-UHFFFAOYSA-N 1 3 232.371 2.263 20 0 BEADHO CCN(CC)CCC[N@H+](CC)CC1CC1 ZINC000338298085 385960558 /nfs/dbraw/zinc/96/05/58/385960558.db2.gz YSTUYJSHDGPBCJ-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)CC1CC1 ZINC000338298085 385960566 /nfs/dbraw/zinc/96/05/66/385960566.db2.gz YSTUYJSHDGPBCJ-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CCC[NH+](CC)CC)CC1CC1 ZINC000338298085 385960572 /nfs/dbraw/zinc/96/05/72/385960572.db2.gz YSTUYJSHDGPBCJ-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO Fc1cccc2c1CC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000335059762 385960852 /nfs/dbraw/zinc/96/08/52/385960852.db2.gz OXXYDLDACBBHLX-HNNXBMFYSA-N 1 3 246.329 2.322 20 0 BEADHO CCOc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000414880285 385964644 /nfs/dbraw/zinc/96/46/44/385964644.db2.gz JKWIPLLBEPBGER-UHFFFAOYSA-N 1 3 234.343 2.056 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000335015539 385970668 /nfs/dbraw/zinc/97/06/68/385970668.db2.gz ZDMBAUQENDMVDX-CMOBGSAGSA-N 1 3 210.365 2.281 20 0 BEADHO CCCOc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000414882048 386002200 /nfs/dbraw/zinc/00/22/00/386002200.db2.gz LQFCISAEXRAQGX-UHFFFAOYSA-N 1 3 248.370 2.446 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414882295 386011651 /nfs/dbraw/zinc/01/16/51/386011651.db2.gz TXWAMIURNVDRHG-BDAKNGLRSA-N 1 3 226.286 2.292 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C/c1ccccc1OC ZINC000414976291 386015617 /nfs/dbraw/zinc/01/56/17/386015617.db2.gz HXAYDWSJXPTKOR-CFNZNRNTSA-N 1 3 234.343 2.035 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc(C2CC2)cc1 ZINC000414882866 386023022 /nfs/dbraw/zinc/02/30/22/386023022.db2.gz UUIHFKJRMUKZGG-LLVKDONJSA-N 1 3 218.344 2.248 20 0 BEADHO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@H]3CCNC3)C2)cc1 ZINC000414889085 386106124 /nfs/dbraw/zinc/10/61/24/386106124.db2.gz SPDZRFKCYIEFBF-JYJNAYRXSA-N 1 3 244.382 2.349 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccccc1F ZINC000414981886 386063524 /nfs/dbraw/zinc/06/35/24/386063524.db2.gz CKDGMYSKLQFRNZ-AAEUAGOBSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414981758 386068810 /nfs/dbraw/zinc/06/88/10/386068810.db2.gz BZWJZLZCDYPPHL-CQSZACIVSA-N 1 3 243.354 2.370 20 0 BEADHO CCSc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000414885784 386070394 /nfs/dbraw/zinc/07/03/94/386070394.db2.gz XKOHVIXHMFAWPG-NSHDSACASA-N 1 3 238.400 2.483 20 0 BEADHO CCCc1cccc(C[NH2+]C[C@@H](N)CC)c1 ZINC000414984850 386087423 /nfs/dbraw/zinc/08/74/23/386087423.db2.gz GXPMZENHGAWRMX-AWEZNQCLSA-N 1 3 220.360 2.466 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414985674 386098889 /nfs/dbraw/zinc/09/88/89/386098889.db2.gz WMKNQBBGSSGBGK-CQSZACIVSA-N 1 3 243.354 2.370 20 0 BEADHO c1ccc(C[C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647876844 386146617 /nfs/dbraw/zinc/14/66/17/386146617.db2.gz BCUXBKUZSJYEHB-HZPDHXFCSA-N 1 3 244.382 2.161 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000340260988 386148823 /nfs/dbraw/zinc/14/88/23/386148823.db2.gz UDZNQAUVUAVVIO-YNEHKIRRSA-N 1 3 242.407 2.262 20 0 BEADHO COC(C)(C)[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000340260988 386148830 /nfs/dbraw/zinc/14/88/30/386148830.db2.gz UDZNQAUVUAVVIO-YNEHKIRRSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCNC1 ZINC000414892770 386151334 /nfs/dbraw/zinc/15/13/34/386151334.db2.gz YIYUXJRZJZTJPX-YNEHKIRRSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]([NH3+])CNC[C@@H](C)c1ccccc1 ZINC000414991472 386153764 /nfs/dbraw/zinc/15/37/64/386153764.db2.gz QEZBNIRZFQQXGO-YPMHNXCESA-N 1 3 206.333 2.117 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1 ZINC000414994093 386164556 /nfs/dbraw/zinc/16/45/56/386164556.db2.gz UFFILWIGJPRQQJ-ZWNOBZJWSA-N 1 3 224.323 2.084 20 0 BEADHO COc1ccccc1C[C@@H]1CCCN1CCC[NH3+] ZINC000414683805 386167724 /nfs/dbraw/zinc/16/77/24/386167724.db2.gz BXTRAVWZWYWANS-AWEZNQCLSA-N 1 3 248.370 2.051 20 0 BEADHO [NH3+]CCCN(C1CC1)[C@H]1CCc2ccccc21 ZINC000414685951 386174005 /nfs/dbraw/zinc/17/40/05/386174005.db2.gz FJBBFDKQJKUQMZ-HNNXBMFYSA-N 1 3 230.355 2.487 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1cccc(F)c1 ZINC000414995877 386179782 /nfs/dbraw/zinc/17/97/82/386179782.db2.gz WTTSEMXIDZKLSC-FZMZJTMJSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000394010666 386183945 /nfs/dbraw/zinc/18/39/45/386183945.db2.gz DPPKLRGRZOSJRD-MJBXVCDLSA-N 1 3 248.370 2.270 20 0 BEADHO CC(C)Oc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414895320 386184119 /nfs/dbraw/zinc/18/41/19/386184119.db2.gz NAMCHBRDVVYNKK-HNNXBMFYSA-N 1 3 248.370 2.301 20 0 BEADHO C[C@H](CC[NH3+])NC/C=C\c1ccccc1 ZINC000414890638 386131803 /nfs/dbraw/zinc/13/18/03/386131803.db2.gz UKQGSOOBOCNTCU-VVEJJEBESA-N 1 3 204.317 2.027 20 0 BEADHO C[C@@H](CC[NH3+])NC/C=C\c1ccccc1 ZINC000414890637 386132040 /nfs/dbraw/zinc/13/20/40/386132040.db2.gz UKQGSOOBOCNTCU-JECSTDCCSA-N 1 3 204.317 2.027 20 0 BEADHO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCN ZINC000414669957 386134296 /nfs/dbraw/zinc/13/42/96/386134296.db2.gz CHAOAULEQAIYDW-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccccc1[C@H]1CCC[N@H+]1CCCN ZINC000414669957 386134299 /nfs/dbraw/zinc/13/42/99/386134299.db2.gz CHAOAULEQAIYDW-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344288 386136285 /nfs/dbraw/zinc/13/62/85/386136285.db2.gz ROZOWDLSTJMVRP-FVCCEPFGSA-N 1 3 234.343 2.065 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344288 386136286 /nfs/dbraw/zinc/13/62/86/386136286.db2.gz ROZOWDLSTJMVRP-FVCCEPFGSA-N 1 3 234.343 2.065 20 0 BEADHO c1ccc(C[C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874683 386142821 /nfs/dbraw/zinc/14/28/21/386142821.db2.gz MQURZDAIBZDRQO-CVEARBPZSA-N 1 3 244.382 2.303 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1C ZINC000414896529 386203385 /nfs/dbraw/zinc/20/33/85/386203385.db2.gz PERUKICCCRSUIP-CQSZACIVSA-N 1 3 218.344 2.130 20 0 BEADHO C[C@@H](CCN)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414896772 386208063 /nfs/dbraw/zinc/20/80/63/386208063.db2.gz PUWPHBFCOIWFSQ-MNOVXSKESA-N 1 3 224.323 2.256 20 0 BEADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCN ZINC000414702799 386209875 /nfs/dbraw/zinc/20/98/75/386209875.db2.gz LXCUNFJNPDJMBZ-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCN ZINC000414702799 386209880 /nfs/dbraw/zinc/20/98/80/386209880.db2.gz LXCUNFJNPDJMBZ-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1C[C@@H](c2ccccc2)CN1CCC[NH3+] ZINC000414702799 386209882 /nfs/dbraw/zinc/20/98/82/386209882.db2.gz LXCUNFJNPDJMBZ-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc(OCC2CC2)cc1 ZINC000414897563 386211551 /nfs/dbraw/zinc/21/15/51/386211551.db2.gz RPCXVVRORTZNKX-GFCCVEGCSA-N 1 3 248.370 2.302 20 0 BEADHO N[C@@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414897805 386213073 /nfs/dbraw/zinc/21/30/73/386213073.db2.gz RYECUAVLSHQSCZ-AWEZNQCLSA-N 1 3 241.338 2.062 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc2c(c1)CCC2 ZINC000131759970 386214852 /nfs/dbraw/zinc/21/48/52/386214852.db2.gz OXGZFWVRIBTNJD-TZMCWYRMSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCN ZINC000414707053 386216751 /nfs/dbraw/zinc/21/67/51/386216751.db2.gz NJOIFMFQZSCKFU-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCN ZINC000414707053 386216755 /nfs/dbraw/zinc/21/67/55/386216755.db2.gz NJOIFMFQZSCKFU-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1[C@@H](c2ccccc2)CCN1CCC[NH3+] ZINC000414707053 386216759 /nfs/dbraw/zinc/21/67/59/386216759.db2.gz NJOIFMFQZSCKFU-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)c1ccccc1 ZINC000132020423 386219085 /nfs/dbraw/zinc/21/90/85/386219085.db2.gz ZBZUNAZLFPKGCF-ZIAGYGMSSA-N 1 3 232.371 2.379 20 0 BEADHO c1ccc2c(c1)CC[C@H]2NC[C@H]1CCC[NH2+]C1 ZINC000132016425 386220394 /nfs/dbraw/zinc/22/03/94/386220394.db2.gz PENMQFUCTYRLGJ-SWLSCSKDSA-N 1 3 230.355 2.263 20 0 BEADHO CC[C@@H](C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000347028710 386220795 /nfs/dbraw/zinc/22/07/95/386220795.db2.gz VWDBSXWWFHBUOT-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@@H](C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000347028710 386220799 /nfs/dbraw/zinc/22/07/99/386220799.db2.gz VWDBSXWWFHBUOT-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@@H](CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347028710 386220802 /nfs/dbraw/zinc/22/08/02/386220802.db2.gz VWDBSXWWFHBUOT-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000347028708 386220947 /nfs/dbraw/zinc/22/09/47/386220947.db2.gz VWDBSXWWFHBUOT-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@@H](C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000347028708 386220950 /nfs/dbraw/zinc/22/09/50/386220950.db2.gz VWDBSXWWFHBUOT-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@@H](CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347028708 386220952 /nfs/dbraw/zinc/22/09/52/386220952.db2.gz VWDBSXWWFHBUOT-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO CCC(O)(CC)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132147036 386221473 /nfs/dbraw/zinc/22/14/73/386221473.db2.gz WVNRRMKMQACGDR-KBPBESRZSA-N 1 3 248.370 2.272 20 0 BEADHO CCC(O)(CC)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132146829 386221530 /nfs/dbraw/zinc/22/15/30/386221530.db2.gz WVNRRMKMQACGDR-UONOGXRCSA-N 1 3 248.370 2.272 20 0 BEADHO [NH3+]CCCN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000414708641 386225341 /nfs/dbraw/zinc/22/53/41/386225341.db2.gz QGSPBAKFTQZRJI-ZDUSSCGKSA-N 1 3 236.334 2.039 20 0 BEADHO NCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000414708641 386225344 /nfs/dbraw/zinc/22/53/44/386225344.db2.gz QGSPBAKFTQZRJI-ZDUSSCGKSA-N 1 3 236.334 2.039 20 0 BEADHO NCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000414708641 386225350 /nfs/dbraw/zinc/22/53/50/386225350.db2.gz QGSPBAKFTQZRJI-ZDUSSCGKSA-N 1 3 236.334 2.039 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000415003359 386255812 /nfs/dbraw/zinc/25/58/12/386255812.db2.gz FVSTXYVOKXASRJ-JEXRQVMISA-N 1 3 204.317 2.025 20 0 BEADHO C[C@H](CNC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000414895593 386194094 /nfs/dbraw/zinc/19/40/94/386194094.db2.gz YBRIYIXJOBGPAR-BXUZGUMPSA-N 1 3 218.344 2.117 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCSC(C)C)C1 ZINC000336663029 386281430 /nfs/dbraw/zinc/28/14/30/386281430.db2.gz AGRDFTLLEZUWOB-CYBMUJFWSA-N 1 3 244.448 2.402 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000336663029 386281433 /nfs/dbraw/zinc/28/14/33/386281433.db2.gz AGRDFTLLEZUWOB-CYBMUJFWSA-N 1 3 244.448 2.402 20 0 BEADHO CCC[C@@]1(C)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647886126 386294109 /nfs/dbraw/zinc/29/41/09/386294109.db2.gz XKWLNKGAINCQJF-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccncc1CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414738295 386316695 /nfs/dbraw/zinc/31/66/95/386316695.db2.gz JAWYYYCAMWOYLV-ZIAGYGMSSA-N 1 3 247.386 2.210 20 0 BEADHO CN(CC[C@H]1CCCC[N@@H+]1C)CC1CC1 ZINC000336652058 386265755 /nfs/dbraw/zinc/26/57/55/386265755.db2.gz WFKANKVNJCPTMR-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CN(CC[C@H]1CCCC[N@H+]1C)CC1CC1 ZINC000336652058 386265758 /nfs/dbraw/zinc/26/57/58/386265758.db2.gz WFKANKVNJCPTMR-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1C ZINC000415004303 386276266 /nfs/dbraw/zinc/27/62/66/386276266.db2.gz HNNFJJRUUPGXBE-NEPJUHHUSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1cc(C[NH2+][C@H](C)[C@H](C)N)cc2cccnc12 ZINC000415007219 386354386 /nfs/dbraw/zinc/35/43/86/386354386.db2.gz CKLDMSHDABSCBD-NWDGAFQWSA-N 1 3 243.354 2.369 20 0 BEADHO Cc1cc(C[NH2+][C@@H](C)[C@H](C)N)cc2cccnc12 ZINC000415007223 386355082 /nfs/dbraw/zinc/35/50/82/386355082.db2.gz CKLDMSHDABSCBD-RYUDHWBXSA-N 1 3 243.354 2.369 20 0 BEADHO C[C@@H]1[C@H](c2ccccc2)CCN1C[C@H]1CC[NH2+]C1 ZINC000647889349 386360752 /nfs/dbraw/zinc/36/07/52/386360752.db2.gz JBTNKLCXSKJPCF-IJEWVQPXSA-N 1 3 244.382 2.474 20 0 BEADHO CC(C)C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890130 386367060 /nfs/dbraw/zinc/36/70/60/386367060.db2.gz TWIFOQDGLBBYHH-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCN ZINC000414740232 386330422 /nfs/dbraw/zinc/33/04/22/386330422.db2.gz JRCHLIUSXOGVSI-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCN ZINC000414740232 386330430 /nfs/dbraw/zinc/33/04/30/386330430.db2.gz JRCHLIUSXOGVSI-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1C ZINC000414908485 386399454 /nfs/dbraw/zinc/39/94/54/386399454.db2.gz BKXOZDUKMBFKHT-UONOGXRCSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCN)C1 ZINC000414759325 386411479 /nfs/dbraw/zinc/41/14/79/386411479.db2.gz ZXAXVPLEGXDSEA-HUUCEWRRSA-N 1 3 232.371 2.435 20 0 BEADHO NC[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339409278 386415922 /nfs/dbraw/zinc/41/59/22/386415922.db2.gz FYTNTYMAZGTPPD-CQSZACIVSA-N 1 3 248.370 2.126 20 0 BEADHO NC[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339409278 386415930 /nfs/dbraw/zinc/41/59/30/386415930.db2.gz FYTNTYMAZGTPPD-CQSZACIVSA-N 1 3 248.370 2.126 20 0 BEADHO [NH3+]C[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000339409278 386415941 /nfs/dbraw/zinc/41/59/41/386415941.db2.gz FYTNTYMAZGTPPD-CQSZACIVSA-N 1 3 248.370 2.126 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CCCC12CCC2 ZINC000414762663 386426023 /nfs/dbraw/zinc/42/60/23/386426023.db2.gz WKDCILUERNWBHH-GFCCVEGCSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H](C[N@H+](C)C1CC(N)C1)c1ccc(F)cc1 ZINC000414776345 386472122 /nfs/dbraw/zinc/47/21/22/386472122.db2.gz NGGBXJQCTASCKZ-FNBIGBAISA-N 1 3 236.334 2.351 20 0 BEADHO C[C@@H](C[N@@H+](C)C1CC(N)C1)c1ccc(F)cc1 ZINC000414776345 386472127 /nfs/dbraw/zinc/47/21/27/386472127.db2.gz NGGBXJQCTASCKZ-FNBIGBAISA-N 1 3 236.334 2.351 20 0 BEADHO CC[C@@H]1CN(CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000647934484 386479742 /nfs/dbraw/zinc/47/97/42/386479742.db2.gz GXQUJUQYYXROGD-HUUCEWRRSA-N 1 3 247.386 2.073 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]C1CCNCC1 ZINC000335453496 386528991 /nfs/dbraw/zinc/52/89/91/386528991.db2.gz WCBVSGQJGSXFMG-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1c(F)cccc1F ZINC000415016857 386502362 /nfs/dbraw/zinc/50/23/62/386502362.db2.gz DHLPJGZJZQFFMY-VIFPVBQESA-N 1 3 228.286 2.182 20 0 BEADHO C[C@@H](NC[C@@H](C)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000415018317 386503740 /nfs/dbraw/zinc/50/37/40/386503740.db2.gz QRBGRLQCMXOIHL-OUAUKWLOSA-N 1 3 224.323 2.255 20 0 BEADHO CC1(C)NCC[C@H]1[NH2+]CC1CCCCC1 ZINC000415049797 386505305 /nfs/dbraw/zinc/50/53/05/386505305.db2.gz YEAJADQCBFEPIQ-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCNC1(C)C ZINC000415050434 386505556 /nfs/dbraw/zinc/50/55/56/386505556.db2.gz YRZGXQANNBBQKH-VXGBXAGGSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1cc(F)c(F)cc1F ZINC000415026264 386513839 /nfs/dbraw/zinc/51/38/39/386513839.db2.gz SZJLABIDNLHDDN-QMMMGPOBSA-N 1 3 246.276 2.321 20 0 BEADHO Cc1cc(C[NH2+][C@H](C)[C@H](C)N)ccc1Cl ZINC000415024153 386514175 /nfs/dbraw/zinc/51/41/75/386514175.db2.gz YCLTUNZOSPAEDJ-VHSXEESVSA-N 1 3 226.751 2.474 20 0 BEADHO CCC(CC)(CC)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415036983 386523364 /nfs/dbraw/zinc/52/33/64/386523364.db2.gz KUIOHLNXGSDVSR-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO CCCC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039696 386526300 /nfs/dbraw/zinc/52/63/00/386526300.db2.gz PLWYHOSRWJJDDB-RGDJUOJXSA-N 1 3 222.376 2.153 20 0 BEADHO C(C1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000335413094 386576901 /nfs/dbraw/zinc/57/69/01/386576901.db2.gz KIMJFLQUKKAHJW-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO Cc1ccccc1C[C@H](C)NC[C@H]([NH3+])C(C)C ZINC000414800599 386587048 /nfs/dbraw/zinc/58/70/48/386587048.db2.gz SEXYALYYPMQVNC-ZFWWWQNUSA-N 1 3 234.387 2.499 20 0 BEADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccccn1 ZINC000336644143 386588294 /nfs/dbraw/zinc/58/82/94/386588294.db2.gz BUURXPOQQGXHLM-RYUDHWBXSA-N 1 3 221.348 2.250 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@H]1CCCNC1 ZINC000415081654 386590398 /nfs/dbraw/zinc/59/03/98/386590398.db2.gz NBSFGMNTRZANOQ-ZFWWWQNUSA-N 1 3 244.382 2.306 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+]C[C@@H]1CCCNC1 ZINC000415081650 386590799 /nfs/dbraw/zinc/59/07/99/386590799.db2.gz NBSFGMNTRZANOQ-HIFRSBDPSA-N 1 3 244.382 2.306 20 0 BEADHO Cc1ccc(C)c(C[NH2+]C[C@H](N)C(C)C)c1 ZINC000414788626 386534031 /nfs/dbraw/zinc/53/40/31/386534031.db2.gz DRDLJMSEGBIMJU-AWEZNQCLSA-N 1 3 220.360 2.376 20 0 BEADHO CCC1(C)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000062953995 386535679 /nfs/dbraw/zinc/53/56/79/386535679.db2.gz PEZRWIOKHNSKOF-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)CC[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415060869 386539945 /nfs/dbraw/zinc/53/99/45/386539945.db2.gz KHIBRRHXGCQOQF-MRLBHPIUSA-N 1 3 236.403 2.399 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000415064263 386543915 /nfs/dbraw/zinc/54/39/15/386543915.db2.gz CDUMNPHXWGDTAG-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415063856 386545588 /nfs/dbraw/zinc/54/55/88/386545588.db2.gz PLWYHOSRWJJDDB-PDWCTOEPSA-N 1 3 222.376 2.153 20 0 BEADHO CCC([NH3+])(CC)CN[C@H]1CCO[C@H](C(C)C)C1 ZINC000414802538 386597137 /nfs/dbraw/zinc/59/71/37/386597137.db2.gz BVUFOQMXCDCQJP-STQMWFEESA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H]([NH3+])CN1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000647995265 386546889 /nfs/dbraw/zinc/54/68/89/386546889.db2.gz KBDZTNJYZDNYPV-AVGNSLFASA-N 1 3 224.392 2.482 20 0 BEADHO Cc1ccc(CCC[NH2+]CCCNC2CC2)cn1 ZINC000415067059 386546992 /nfs/dbraw/zinc/54/69/92/386546992.db2.gz JXMTUAPNACKUKK-UHFFFAOYSA-N 1 3 247.386 2.054 20 0 BEADHO Cc1ccc(CCCNCCC[NH2+]C2CC2)cn1 ZINC000415067059 386546996 /nfs/dbraw/zinc/54/69/96/386546996.db2.gz JXMTUAPNACKUKK-UHFFFAOYSA-N 1 3 247.386 2.054 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]C/C=C/c1ccccc1 ZINC000414791695 386550409 /nfs/dbraw/zinc/55/04/09/386550409.db2.gz IFPGLXGBHHOFRN-MRZGDXHCSA-N 1 3 218.344 2.273 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414795166 386571719 /nfs/dbraw/zinc/57/17/19/386571719.db2.gz MTFPKWWSNLQCST-XGACYXMMSA-N 1 3 236.334 2.412 20 0 BEADHO C[C@@H](N[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000335497951 386624270 /nfs/dbraw/zinc/62/42/70/386624270.db2.gz BTPZLZUFFOAPGY-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000415123492 386626731 /nfs/dbraw/zinc/62/67/31/386626731.db2.gz NAAQURRZVSJOMF-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO CCN(C[C@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000415122795 386627392 /nfs/dbraw/zinc/62/73/92/386627392.db2.gz LXMXBHBWZCVSPK-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000415123493 386628079 /nfs/dbraw/zinc/62/80/79/386628079.db2.gz NAAQURRZVSJOMF-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cccc(C[NH2+]CC(C)(C)N)c1C ZINC000414811367 386634892 /nfs/dbraw/zinc/63/48/92/386634892.db2.gz ZOMMBPGLNQTLAO-UHFFFAOYSA-N 1 3 206.333 2.130 20 0 BEADHO CCC(CC)(CCO)CNC[C@H]([NH3+])CC(C)C ZINC000415081923 386599103 /nfs/dbraw/zinc/59/91/03/386599103.db2.gz LHCBUMFGTVTWHN-CYBMUJFWSA-N 1 3 244.423 2.138 20 0 BEADHO Fc1cccc(CCC[NH2+]C2CCNCC2)c1 ZINC000415086248 386599603 /nfs/dbraw/zinc/59/96/03/386599603.db2.gz JIPCEGGCTZXLQV-UHFFFAOYSA-N 1 3 236.334 2.100 20 0 BEADHO Fc1cccc(CCCNC2CC[NH2+]CC2)c1 ZINC000415086248 386599610 /nfs/dbraw/zinc/59/96/10/386599610.db2.gz JIPCEGGCTZXLQV-UHFFFAOYSA-N 1 3 236.334 2.100 20 0 BEADHO C[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000414922964 386602233 /nfs/dbraw/zinc/60/22/33/386602233.db2.gz GPHDQXSXADLLOA-DZKIICNBSA-N 1 3 246.398 2.453 20 0 BEADHO COC1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000414805371 386612502 /nfs/dbraw/zinc/61/25/02/386612502.db2.gz POZSNNNWDOPWOB-RYSNWHEDSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)([NH3+])CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000415108045 386616902 /nfs/dbraw/zinc/61/69/02/386616902.db2.gz ONZJMJUVTPYVLH-NEPJUHHUSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H](CCc1ccsc1)NCC(C)(C)[NH3+] ZINC000414807550 386618749 /nfs/dbraw/zinc/61/87/49/386618749.db2.gz RLPQLVFWERSEFG-JTQLQIEISA-N 1 3 226.389 2.396 20 0 BEADHO C([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCN1 ZINC000414820061 386663525 /nfs/dbraw/zinc/66/35/25/386663525.db2.gz ACQVPDXUPYJIQA-MCIONIFRSA-N 1 3 222.376 2.297 20 0 BEADHO Fc1cccc(F)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414824549 386682435 /nfs/dbraw/zinc/68/24/35/386682435.db2.gz AVRDTEOLALPFCC-JTQLQIEISA-N 1 3 240.297 2.054 20 0 BEADHO C[C@H]([NH3+])CCNC/C=C/c1ccc(F)cc1F ZINC000414821805 386678308 /nfs/dbraw/zinc/67/83/08/386678308.db2.gz LXEKUEQZABOICQ-PBKGFPTLSA-N 1 3 240.297 2.305 20 0 BEADHO CCCC[C@H](COC)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823774 386681082 /nfs/dbraw/zinc/68/10/82/386681082.db2.gz PJOHSRSCFPTQPO-BFHYXJOUSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414823774 386681093 /nfs/dbraw/zinc/68/10/93/386681093.db2.gz PJOHSRSCFPTQPO-BFHYXJOUSA-N 1 3 242.407 2.169 20 0 BEADHO CN(C)c1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414927721 386709798 /nfs/dbraw/zinc/70/97/98/386709798.db2.gz PGOGHSIOPQRAEY-KGLIPLIRSA-N 1 3 247.386 2.112 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1CCCNC1)Cc1ccccc1 ZINC000414831008 386711167 /nfs/dbraw/zinc/71/11/67/386711167.db2.gz PBRBLCAFMCIHOU-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]CC[C@H](C)N ZINC000414823409 386685024 /nfs/dbraw/zinc/68/50/24/386685024.db2.gz OMXAKGCGZQXINE-GXTWGEPZSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@H](Cc1ccccc1)NCC[C@H](C)[NH3+] ZINC000414823409 386685031 /nfs/dbraw/zinc/68/50/31/386685031.db2.gz OMXAKGCGZQXINE-GXTWGEPZSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000414825411 386691508 /nfs/dbraw/zinc/69/15/08/386691508.db2.gz SPZKNPCLVZIWMU-ZANVPECISA-N 1 3 238.762 2.134 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414825411 386691514 /nfs/dbraw/zinc/69/15/14/386691514.db2.gz SPZKNPCLVZIWMU-ZANVPECISA-N 1 3 238.762 2.134 20 0 BEADHO CC[C@@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000337256637 386692198 /nfs/dbraw/zinc/69/21/98/386692198.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256637 386692203 /nfs/dbraw/zinc/69/22/03/386692203.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000337256637 386692210 /nfs/dbraw/zinc/69/22/10/386692210.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000337256637 386692219 /nfs/dbraw/zinc/69/22/19/386692219.db2.gz SMVXTMXOIQISSJ-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO COCC(C)(C)CNC[C@H]1[NH2+]CCCC1(C)C ZINC000414927581 386693251 /nfs/dbraw/zinc/69/32/51/386693251.db2.gz MHSLWIFXJYWDSU-GFCCVEGCSA-N 1 3 242.407 2.027 20 0 BEADHO CCCC[C@@H](COC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414829124 386701306 /nfs/dbraw/zinc/70/13/06/386701306.db2.gz NDKLEEAIWZIFEB-WJLOJVBCSA-N 1 3 240.391 2.064 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000414836559 386731300 /nfs/dbraw/zinc/73/13/00/386731300.db2.gz JPMHRYPMFWNTMF-RWMBFGLXSA-N 1 3 212.381 2.258 20 0 BEADHO C[NH2+]CCNC[C@H](C)CCc1ccccc1 ZINC000414836821 386732024 /nfs/dbraw/zinc/73/20/24/386732024.db2.gz WLQXXSOTXFBUNL-CYBMUJFWSA-N 1 3 220.360 2.064 20 0 BEADHO Cc1ccc(CCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334141478 386739835 /nfs/dbraw/zinc/73/98/35/386739835.db2.gz HMNOKLIRGOARLQ-CVEARBPZSA-N 1 3 244.382 2.079 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000414833683 386713053 /nfs/dbraw/zinc/71/30/53/386713053.db2.gz GQACPMYDYDOSFD-RWMBFGLXSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CC1CCCC1 ZINC000414833087 386714075 /nfs/dbraw/zinc/71/40/75/386714075.db2.gz GCGBQZBLHZZGIT-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cc(CN2CCC(C[NH3+])CC2)ccc1F ZINC000050559342 386727463 /nfs/dbraw/zinc/72/74/63/386727463.db2.gz SPTWGDITPMSKSJ-UHFFFAOYSA-N 1 3 236.334 2.305 20 0 BEADHO CCCC[C@@H](CC)[NH2+]C[C@@H](C)CNC ZINC000414840838 386752267 /nfs/dbraw/zinc/75/22/67/386752267.db2.gz NPPCPPDOCSEUPT-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414841250 386754566 /nfs/dbraw/zinc/75/45/66/386754566.db2.gz ZBUQDSDYOROJFI-KZKMVBDOSA-N 1 3 208.349 2.048 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000340712586 386761518 /nfs/dbraw/zinc/76/15/18/386761518.db2.gz PNEKRJAQTYOIDQ-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414842558 386763357 /nfs/dbraw/zinc/76/33/57/386763357.db2.gz BKHOABKXGVYNQH-WCQYABFASA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000336666502 386780491 /nfs/dbraw/zinc/78/04/91/386780491.db2.gz DLOASOGNUXHFFU-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414933271 386787087 /nfs/dbraw/zinc/78/70/87/386787087.db2.gz DLNKPLWWVPATLC-AEJSXWLSSA-N 1 3 238.297 2.305 20 0 BEADHO CCC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414847539 386838336 /nfs/dbraw/zinc/83/83/36/386838336.db2.gz FSWLXOVYRCLVTL-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000425340152 386838866 /nfs/dbraw/zinc/83/88/66/386838866.db2.gz DLYDFDFLBIASPX-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@H](C)C[NH+]1CCCC1 ZINC000425340152 386838873 /nfs/dbraw/zinc/83/88/73/386838873.db2.gz DLYDFDFLBIASPX-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000425340150 386839409 /nfs/dbraw/zinc/83/94/09/386839409.db2.gz DLYDFDFLBIASPX-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@@H](C)C[NH+]1CCCC1 ZINC000425340150 386839418 /nfs/dbraw/zinc/83/94/18/386839418.db2.gz DLYDFDFLBIASPX-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)OC ZINC000336674146 386842492 /nfs/dbraw/zinc/84/24/92/386842492.db2.gz BVPHRXYUJSGEOA-LERXQTSPSA-N 1 3 234.343 2.146 20 0 BEADHO CC[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)OC ZINC000336674145 386843122 /nfs/dbraw/zinc/84/31/22/386843122.db2.gz BVPHRXYUJSGEOA-HONMWMINSA-N 1 3 234.343 2.146 20 0 BEADHO CCc1cc(N2CC[C@H]3CCN(C)C[C@H]32)cc[nH+]1 ZINC000334790251 386854667 /nfs/dbraw/zinc/85/46/67/386854667.db2.gz MJNXZWLNSIKTCV-IUODEOHRSA-N 1 3 245.370 2.174 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000414937895 386856604 /nfs/dbraw/zinc/85/66/04/386856604.db2.gz CTFAYSLCCXFWMZ-WUHRBBMRSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1c[nH+]ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000335749659 386874706 /nfs/dbraw/zinc/87/47/06/386874706.db2.gz FPEFIEJAELCBAQ-CQSZACIVSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1cnccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000335749659 386874711 /nfs/dbraw/zinc/87/47/11/386874711.db2.gz FPEFIEJAELCBAQ-CQSZACIVSA-N 1 3 245.370 2.455 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCNC[C@H]1C ZINC000414940186 386876372 /nfs/dbraw/zinc/87/63/72/386876372.db2.gz JYXYXAAPVRMMKC-XQQFMLRXSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc(C[NH2+]C2(C)CCNCC2)s1 ZINC000334842120 386889265 /nfs/dbraw/zinc/88/92/65/386889265.db2.gz KTEHAAMQJCJGHZ-UHFFFAOYSA-N 1 3 224.373 2.288 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCNC1 ZINC000334850130 386898913 /nfs/dbraw/zinc/89/89/13/386898913.db2.gz SHKKHTIDCCLLTQ-CYBMUJFWSA-N 1 3 218.344 2.145 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@@H]2C)c(C)c1 ZINC000334853605 386904733 /nfs/dbraw/zinc/90/47/33/386904733.db2.gz FAKOIAUYVCNPIO-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)C ZINC000336762210 386920487 /nfs/dbraw/zinc/92/04/87/386920487.db2.gz NXYWDZLJYGTDLC-LLVKDONJSA-N 1 3 210.365 2.273 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000334866451 386924598 /nfs/dbraw/zinc/92/45/98/386924598.db2.gz WNJMFFPKSNPTAV-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO CS[C@@H]1CC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000425363011 386970916 /nfs/dbraw/zinc/97/09/16/386970916.db2.gz WFKKQDPTYQOXTJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccccn2)CC1 ZINC000104137725 387001376 /nfs/dbraw/zinc/00/13/76/387001376.db2.gz ODTFPNSIYJQEDM-VXGBXAGGSA-N 1 3 233.359 2.202 20 0 BEADHO CC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000070613546 387070133 /nfs/dbraw/zinc/07/01/33/387070133.db2.gz QFISPLDUTYATLE-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000070613546 387070138 /nfs/dbraw/zinc/07/01/38/387070138.db2.gz QFISPLDUTYATLE-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO COCc1cccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000126930092 387074747 /nfs/dbraw/zinc/07/47/47/387074747.db2.gz SABPAEWTOLOIJM-WFASDCNBSA-N 1 3 248.370 2.002 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733437 387090173 /nfs/dbraw/zinc/09/01/73/387090173.db2.gz URUNTABGTHJDTF-GHMZBOCLSA-N 1 3 239.388 2.183 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1c2ccccc2C[C@H]1C ZINC000423299935 387131332 /nfs/dbraw/zinc/13/13/32/387131332.db2.gz QODDEZIJDQBZIP-GYSYKLTISA-N 1 3 218.344 2.104 20 0 BEADHO COCCN(CC[C@@H]1CCC[N@@H+]1C)CC(C)C ZINC000119167131 387105185 /nfs/dbraw/zinc/10/51/85/387105185.db2.gz AZGOHUZNRVOBDQ-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO COCCN(CC[C@@H]1CCC[N@H+]1C)CC(C)C ZINC000119167131 387105190 /nfs/dbraw/zinc/10/51/90/387105190.db2.gz AZGOHUZNRVOBDQ-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO CCc1ccccc1CN1CC[C@@H](C[NH2+]C)C1 ZINC000112706341 387109687 /nfs/dbraw/zinc/10/96/87/387109687.db2.gz IEFHJPYMZNTKOK-ZDUSSCGKSA-N 1 3 232.371 2.290 20 0 BEADHO [NH3+][C@H](CNc1ccnc2ccccc21)C1CC1 ZINC000113502554 387116995 /nfs/dbraw/zinc/11/69/95/387116995.db2.gz WRUKEQWPRUMBTQ-GFCCVEGCSA-N 1 3 227.311 2.384 20 0 BEADHO Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000228821693 387121662 /nfs/dbraw/zinc/12/16/62/387121662.db2.gz KZMIYWIKDADWTO-HIFRSBDPSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000228821693 387121666 /nfs/dbraw/zinc/12/16/66/387121666.db2.gz KZMIYWIKDADWTO-HIFRSBDPSA-N 1 3 232.371 2.425 20 0 BEADHO CCC1CC([NH2+]CCCN(C)C(C)C)C1 ZINC000336767182 387121992 /nfs/dbraw/zinc/12/19/92/387121992.db2.gz SIZFHJVAEHAUKK-UHFFFAOYSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000423299937 387132251 /nfs/dbraw/zinc/13/22/51/387132251.db2.gz QODDEZIJDQBZIP-SUNKGSAMSA-N 1 3 218.344 2.104 20 0 BEADHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000643482103 387128189 /nfs/dbraw/zinc/12/81/89/387128189.db2.gz FIKZPXIHJZBSTD-UTLUCORTSA-N 1 3 238.297 2.163 20 0 BEADHO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1CNC1 ZINC000423305817 387141715 /nfs/dbraw/zinc/14/17/15/387141715.db2.gz RSEMBBVLXUFDED-ZIAGYGMSSA-N 1 3 224.392 2.400 20 0 BEADHO CCC[NH2+]CCNC1CCC(C(F)F)CC1 ZINC000423307525 387143881 /nfs/dbraw/zinc/14/38/81/387143881.db2.gz GXQLEFQJDPQWMG-UHFFFAOYSA-N 1 3 234.334 2.400 20 0 BEADHO COc1cccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000423310403 387146196 /nfs/dbraw/zinc/14/61/96/387146196.db2.gz AHLVODVCNQWPGU-YGRLFVJLSA-N 1 3 234.343 2.083 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N)C1CC1)CC2 ZINC000423313170 387150617 /nfs/dbraw/zinc/15/06/17/387150617.db2.gz FGKBUYCCJIEJPF-CABCVRRESA-N 1 3 246.354 2.009 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN ZINC000423312776 387151565 /nfs/dbraw/zinc/15/15/65/387151565.db2.gz VSFXWEFRBNKUSP-UKRRQHHQSA-N 1 3 234.387 2.438 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]CC1(N)CCC1 ZINC000423315980 387156466 /nfs/dbraw/zinc/15/64/66/387156466.db2.gz BJAIHQCQASDSHK-CYBMUJFWSA-N 1 3 246.354 2.154 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H](N)C1CC1 ZINC000423321174 387161870 /nfs/dbraw/zinc/16/18/70/387161870.db2.gz MXCGIRRGUXISMY-TURNYIBQSA-N 1 3 248.345 2.386 20 0 BEADHO CCc1ccc([C@@H](C)NCCCC[NH3+])o1 ZINC000423321776 387164498 /nfs/dbraw/zinc/16/44/98/387164498.db2.gz FYCMPXGBQHAOIN-SNVBAGLBSA-N 1 3 210.321 2.232 20 0 BEADHO C[C@H](Cc1ccoc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423330710 387175105 /nfs/dbraw/zinc/17/51/05/387175105.db2.gz GAWBWIARFOCWBV-OCCSQVGLSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423330710 387175109 /nfs/dbraw/zinc/17/51/09/387175109.db2.gz GAWBWIARFOCWBV-OCCSQVGLSA-N 1 3 236.359 2.190 20 0 BEADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N)C1CC1)CC2 ZINC000423333155 387178050 /nfs/dbraw/zinc/17/80/50/387178050.db2.gz VMEODQKRMFLQGP-CABCVRRESA-N 1 3 230.355 2.309 20 0 BEADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)cc1 ZINC000423337026 387186490 /nfs/dbraw/zinc/18/64/90/387186490.db2.gz HCAPBNHNUUDCGG-NSHDSACASA-N 1 3 234.318 2.396 20 0 BEADHO C[C@@H](CN)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423302870 387134748 /nfs/dbraw/zinc/13/47/48/387134748.db2.gz WDRWGJOWWFVCHZ-SWLSCSKDSA-N 1 3 232.371 2.192 20 0 BEADHO COc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423344367 387192036 /nfs/dbraw/zinc/19/20/36/387192036.db2.gz MPUDGVRZGQSDTP-GFCCVEGCSA-N 1 3 246.354 2.266 20 0 BEADHO CCC[C@H]([NH2+]C[C@H](C)CN)C(C)(C)C ZINC000423302340 387135319 /nfs/dbraw/zinc/13/53/19/387135319.db2.gz HDYSKEBIIOAASR-MNOVXSKESA-N 1 3 200.370 2.386 20 0 BEADHO Cc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)o1 ZINC000423350557 387202427 /nfs/dbraw/zinc/20/24/27/387202427.db2.gz ZRIGZYGGGBKSNN-LLVKDONJSA-N 1 3 220.316 2.158 20 0 BEADHO C[C@]12C[C@H]1CCC[C@@H]2NCC[C@H]1CCC[NH2+]1 ZINC000423357895 387209472 /nfs/dbraw/zinc/20/94/72/387209472.db2.gz IWFCCJGOZKHZQK-MQYQWHSLSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H](C)CN1CCC([NH2+]C(C)C)CC1 ZINC000120206984 387211249 /nfs/dbraw/zinc/21/12/49/387211249.db2.gz JFBZSXOSEOSVQV-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCSCC1 ZINC000423365096 387215713 /nfs/dbraw/zinc/21/57/13/387215713.db2.gz CVEVEBBQKUUCRF-WZRBSPASSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCC3)CCN1 ZINC000423367302 387217539 /nfs/dbraw/zinc/21/75/39/387217539.db2.gz ADJVCKYKFPPFDF-WOPDTQHZSA-N 1 3 208.349 2.049 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCCNCC2)C1 ZINC000643485089 387219940 /nfs/dbraw/zinc/21/99/40/387219940.db2.gz RTCRRPLYFBOYLF-OTTFEQOBSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423368281 387220613 /nfs/dbraw/zinc/22/06/13/387220613.db2.gz FCPUWTXTUUUBFP-YRGRVCCFSA-N 1 3 218.344 2.478 20 0 BEADHO [NH3+]CCCN(Cc1ccccc1)CC1CC1 ZINC000230004502 387222487 /nfs/dbraw/zinc/22/24/87/387222487.db2.gz MNNSCKMYPHDBFL-UHFFFAOYSA-N 1 3 218.344 2.247 20 0 BEADHO NCCC[N@@H+](Cc1ccccc1)CC1CC1 ZINC000230004502 387222494 /nfs/dbraw/zinc/22/24/94/387222494.db2.gz MNNSCKMYPHDBFL-UHFFFAOYSA-N 1 3 218.344 2.247 20 0 BEADHO NCCC[N@H+](Cc1ccccc1)CC1CC1 ZINC000230004502 387222502 /nfs/dbraw/zinc/22/25/02/387222502.db2.gz MNNSCKMYPHDBFL-UHFFFAOYSA-N 1 3 218.344 2.247 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423369351 387223065 /nfs/dbraw/zinc/22/30/65/387223065.db2.gz OKRJDZUFSVUMDP-RTXFEEFZSA-N 1 3 222.332 2.070 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423369349 387224840 /nfs/dbraw/zinc/22/48/40/387224840.db2.gz OKRJDZUFSVUMDP-KGYLQXTDSA-N 1 3 222.332 2.070 20 0 BEADHO C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371754 387227132 /nfs/dbraw/zinc/22/71/32/387227132.db2.gz AUEXVVVRCPVCDE-NDBYEHHHSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423372287 387227783 /nfs/dbraw/zinc/22/77/83/387227783.db2.gz IFNUUSONVZECMX-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1CCCF ZINC000423403748 387239597 /nfs/dbraw/zinc/23/95/97/387239597.db2.gz ZMDUSNWGNZGMEB-FRRDWIJNSA-N 1 3 230.371 2.492 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423346502 387195671 /nfs/dbraw/zinc/19/56/71/387195671.db2.gz PVOGTQFMKQEYFK-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)(C)C ZINC000423346357 387195976 /nfs/dbraw/zinc/19/59/76/387195976.db2.gz ZZQFNROFPMBOIM-AAEUAGOBSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1CC1(C)C ZINC000423346761 387196712 /nfs/dbraw/zinc/19/67/12/387196712.db2.gz QCTGHGVOVXIATH-SCRDCRAPSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1C[C@H]1C ZINC000423348060 387198268 /nfs/dbraw/zinc/19/82/68/387198268.db2.gz SJXDOBDJSZELOR-ZOBORPQBSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423471788 387318959 /nfs/dbraw/zinc/31/89/59/387318959.db2.gz PZPJTNCHOKEXRM-SMDDNHRTSA-N 1 3 234.343 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423463699 387312366 /nfs/dbraw/zinc/31/23/66/387312366.db2.gz LMYQMOZVGUMEBK-WFBYXXMGSA-N 1 3 236.334 2.386 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000423374929 387254554 /nfs/dbraw/zinc/25/45/54/387254554.db2.gz UCTBTNVHIILGEC-XQHKEYJVSA-N 1 3 208.349 2.035 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429719 387254573 /nfs/dbraw/zinc/25/45/73/387254573.db2.gz KJGQPUPLHRULNS-HUXGKSLCSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccncc1F ZINC000423428901 387255171 /nfs/dbraw/zinc/25/51/71/387255171.db2.gz JRVXMRCEORLYCX-MNOVXSKESA-N 1 3 239.338 2.389 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429720 387255362 /nfs/dbraw/zinc/25/53/62/387255362.db2.gz KJGQPUPLHRULNS-TVQXOTEMSA-N 1 3 222.376 2.009 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC12CCCC2 ZINC000423375709 387256955 /nfs/dbraw/zinc/25/69/55/387256955.db2.gz XVNXGWAYPURPEC-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC12CCCC2 ZINC000423375707 387257623 /nfs/dbraw/zinc/25/76/23/387257623.db2.gz XVNXGWAYPURPEC-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423384411 387267928 /nfs/dbraw/zinc/26/79/28/387267928.db2.gz FXGFCNFPEGTXAJ-FVCCEPFGSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCC3)CCN1 ZINC000423387716 387272200 /nfs/dbraw/zinc/27/22/00/387272200.db2.gz SXGHAGWDAKVCBN-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC[NH2+]CCCN[C@H](C)Cc1cccs1 ZINC000643498926 387277444 /nfs/dbraw/zinc/27/74/44/387277444.db2.gz XFFKPSCWLCAUMH-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000423394076 387279809 /nfs/dbraw/zinc/27/98/09/387279809.db2.gz MRIQIWDODFCIOO-MBJXGIAVSA-N 1 3 224.392 2.399 20 0 BEADHO c1ccc([C@@H]2CC[C@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423438302 387288522 /nfs/dbraw/zinc/28/85/22/387288522.db2.gz RCTSXJJJGFWJLV-LEOABGAYSA-N 1 3 242.366 2.130 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)N)CC2 ZINC000423444728 387295412 /nfs/dbraw/zinc/29/54/12/387295412.db2.gz MAHDNQYZFZZLCD-COPLHBTASA-N 1 3 218.344 2.308 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423447421 387298309 /nfs/dbraw/zinc/29/83/09/387298309.db2.gz OZKLNTJBNJPXND-MAGOMRGPSA-N 1 3 236.334 2.384 20 0 BEADHO CC(C)CO[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423454121 387302362 /nfs/dbraw/zinc/30/23/62/387302362.db2.gz YPJZIHBIKQARQG-QNWHQSFQSA-N 1 3 242.407 2.151 20 0 BEADHO CC(C)CO[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423454119 387302606 /nfs/dbraw/zinc/30/26/06/387302606.db2.gz YPJZIHBIKQARQG-FVCCEPFGSA-N 1 3 242.407 2.151 20 0 BEADHO C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2)CCN1 ZINC000575512091 387384082 /nfs/dbraw/zinc/38/40/82/387384082.db2.gz KRKKJSZENUJHEB-GXTWGEPZSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CCN1 ZINC000575512091 387384084 /nfs/dbraw/zinc/38/40/84/387384084.db2.gz KRKKJSZENUJHEB-GXTWGEPZSA-N 1 3 218.344 2.259 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C2CCCC2)CC1 ZINC000336541591 387362773 /nfs/dbraw/zinc/36/27/73/387362773.db2.gz BIGVRUNQJFCVLB-LBPRGKRZSA-N 1 3 210.365 2.345 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C2CCCC2)CC1 ZINC000336541591 387362777 /nfs/dbraw/zinc/36/27/77/387362777.db2.gz BIGVRUNQJFCVLB-LBPRGKRZSA-N 1 3 210.365 2.345 20 0 BEADHO C(N[C@@H]1CCCC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000643502691 387369172 /nfs/dbraw/zinc/36/91/72/387369172.db2.gz OCYKOBCUWQNEFH-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@@H]1C[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423545643 387370363 /nfs/dbraw/zinc/37/03/63/387370363.db2.gz JTDVKFWQQZYODZ-RQJABVFESA-N 1 3 240.391 2.064 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423547389 387370923 /nfs/dbraw/zinc/37/09/23/387370923.db2.gz GBVZUBKTQIPHPM-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CCC12CCCC2 ZINC000423547113 387371249 /nfs/dbraw/zinc/37/12/49/387371249.db2.gz FTFVTOKMZLFJQJ-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453645 387371525 /nfs/dbraw/zinc/37/15/25/387371525.db2.gz OVLJGZUXLVNJDY-DMDPSCGWSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1Cc2ccccc21 ZINC000643453645 387371526 /nfs/dbraw/zinc/37/15/26/387371526.db2.gz OVLJGZUXLVNJDY-DMDPSCGWSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453598 387371576 /nfs/dbraw/zinc/37/15/76/387371576.db2.gz KLFCZWAZRPEQKU-INWMFGNUSA-N 1 3 244.382 2.304 20 0 BEADHO CC(C)C1CC([NH2+]CCCNC2CC2)C1 ZINC000423551688 387372091 /nfs/dbraw/zinc/37/20/91/387372091.db2.gz JJSPCIHWDJDMDD-UHFFFAOYSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccco1 ZINC000423561094 387375328 /nfs/dbraw/zinc/37/53/28/387375328.db2.gz PRDMPQVUMJQTQA-NSHDSACASA-N 1 3 220.316 2.240 20 0 BEADHO CO[C@H](C)[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000373522734 387377613 /nfs/dbraw/zinc/37/76/13/387377613.db2.gz OAFOMBMOBIJYIQ-IWMBGFJWSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423564699 387377850 /nfs/dbraw/zinc/37/78/50/387377850.db2.gz YADHTHRCLWTXAS-TUAOUCFPSA-N 1 3 242.432 2.235 20 0 BEADHO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CCC1)[C@H](C)N ZINC000423479959 387325997 /nfs/dbraw/zinc/32/59/97/387325997.db2.gz VSEXVUSBGSKFOY-MISXGVKJSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423430495 387328009 /nfs/dbraw/zinc/32/80/09/387328009.db2.gz MTFWQQWIDMNJEE-RFQIPJPRSA-N 1 3 222.376 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423484231 387328678 /nfs/dbraw/zinc/32/86/78/387328678.db2.gz YLHJWMMWXIFKJY-KBPBESRZSA-N 1 3 233.359 2.250 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1C[C@@H]1C ZINC000321951512 387329977 /nfs/dbraw/zinc/32/99/77/387329977.db2.gz WXPPKSGZQDMQBF-UBHSHLNASA-N 1 3 222.376 2.273 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423484238 387330027 /nfs/dbraw/zinc/33/00/27/387330027.db2.gz YLHJWMMWXIFKJY-ZIAGYGMSSA-N 1 3 233.359 2.250 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423486344 387333540 /nfs/dbraw/zinc/33/35/40/387333540.db2.gz WJCILUSUNVTIKH-ZFWWWQNUSA-N 1 3 247.386 2.184 20 0 BEADHO Cc1cc(N)cc(C[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000423486344 387333544 /nfs/dbraw/zinc/33/35/44/387333544.db2.gz WJCILUSUNVTIKH-ZFWWWQNUSA-N 1 3 247.386 2.184 20 0 BEADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cncs1 ZINC000423489041 387333791 /nfs/dbraw/zinc/33/37/91/387333791.db2.gz VTBGBZGUUKUFDM-WDEREUQCSA-N 1 3 239.388 2.326 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@@H](C)CCc1ccco1 ZINC000515053157 387334780 /nfs/dbraw/zinc/33/47/80/387334780.db2.gz DHRHAHUQLPCVDO-WCQYABFASA-N 1 3 224.348 2.174 20 0 BEADHO CC(C)=CCC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000423506460 387346290 /nfs/dbraw/zinc/34/62/90/387346290.db2.gz GXSKKGYTBKSPPE-KGLIPLIRSA-N 1 3 240.391 2.089 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CCCN1 ZINC000400639244 387348376 /nfs/dbraw/zinc/34/83/76/387348376.db2.gz NPTFXRSKFJPSGI-ZDEQEGDKSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H](NC[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000643468350 387419447 /nfs/dbraw/zinc/41/94/47/387419447.db2.gz SYEDNKKBLJKCDK-RTXFEEFZSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1CCCN1 ZINC000643468350 387419449 /nfs/dbraw/zinc/41/94/49/387419449.db2.gz SYEDNKKBLJKCDK-RTXFEEFZSA-N 1 3 210.365 2.153 20 0 BEADHO CCC[C@]1(NCC[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000352825412 387530606 /nfs/dbraw/zinc/53/06/06/387530606.db2.gz PTUQUYODFHCMCR-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[C@]1(NCC[C@H]2CCC[N@H+]2C)CCOC1 ZINC000352825412 387530609 /nfs/dbraw/zinc/53/06/09/387530609.db2.gz PTUQUYODFHCMCR-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CCN(CCC[NH+]1CCCCC1)C[C@@H](C)OC ZINC000361559972 387489186 /nfs/dbraw/zinc/48/91/86/387489186.db2.gz YTXDRKRALNRIFV-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@H](Cc1cccs1)NCC(C)(C)[NH3+] ZINC000643513119 387596116 /nfs/dbraw/zinc/59/61/16/387596116.db2.gz ISHFNKREZWVGJW-SNVBAGLBSA-N 1 3 226.389 2.396 20 0 BEADHO CC(C)([NH3+])CN[C@@H]1CCCc2ccccc2C1 ZINC000643513395 387596311 /nfs/dbraw/zinc/59/63/11/387596311.db2.gz NRFHVYPYXNMSOK-CQSZACIVSA-N 1 3 232.371 2.261 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000123892962 387598077 /nfs/dbraw/zinc/59/80/77/387598077.db2.gz SMJKDMUMNOPJIX-UWVGGRQHSA-N 1 3 238.297 2.436 20 0 BEADHO CC(C)OCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422639442 387610463 /nfs/dbraw/zinc/61/04/63/387610463.db2.gz STWJQDBILPSPEE-MCIONIFRSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422639442 387610469 /nfs/dbraw/zinc/61/04/69/387610469.db2.gz STWJQDBILPSPEE-MCIONIFRSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422639442 387610470 /nfs/dbraw/zinc/61/04/70/387610470.db2.gz STWJQDBILPSPEE-MCIONIFRSA-N 1 3 242.407 2.107 20 0 BEADHO C[C@@H]1C[C@H](C)N(Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000422641332 387610959 /nfs/dbraw/zinc/61/09/59/387610959.db2.gz XQUJCNFXBUZMJN-DYEKYZERSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(N)c2)C[C@@H]1CN ZINC000422641332 387610962 /nfs/dbraw/zinc/61/09/62/387610962.db2.gz XQUJCNFXBUZMJN-DYEKYZERSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(N)c2)C[C@@H]1CN ZINC000422641332 387610967 /nfs/dbraw/zinc/61/09/67/387610967.db2.gz XQUJCNFXBUZMJN-DYEKYZERSA-N 1 3 247.386 2.074 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000422702868 387619102 /nfs/dbraw/zinc/61/91/02/387619102.db2.gz GDYOIUUUYSWLHQ-SWLSCSKDSA-N 1 3 232.371 2.205 20 0 BEADHO C[C@]1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CCOC1 ZINC000397153310 387547917 /nfs/dbraw/zinc/54/79/17/387547917.db2.gz LIENLMBGBQGXIZ-QLFBSQMISA-N 1 3 246.354 2.147 20 0 BEADHO C[C@]1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CCOC1 ZINC000397153311 387548401 /nfs/dbraw/zinc/54/84/01/387548401.db2.gz LIENLMBGBQGXIZ-RBSFLKMASA-N 1 3 246.354 2.147 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000422717674 387631236 /nfs/dbraw/zinc/63/12/36/387631236.db2.gz OVACZOYAWPRRQR-XBFCOCLRSA-N 1 3 224.392 2.399 20 0 BEADHO CCC1CCC(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422722750 387634181 /nfs/dbraw/zinc/63/41/81/387634181.db2.gz YWTDHNGHKSCNSJ-HIFPTAJRSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccc(CCN2CCC[C@H](C[NH3+])C2)cc1 ZINC000430648743 387635577 /nfs/dbraw/zinc/63/55/77/387635577.db2.gz HKQDIROZCNVLGT-OAHLLOKOSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccc(CC[N@@H+]2CCC[C@H](CN)C2)cc1 ZINC000430648743 387635582 /nfs/dbraw/zinc/63/55/82/387635582.db2.gz HKQDIROZCNVLGT-OAHLLOKOSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccc(CC[N@H+]2CCC[C@H](CN)C2)cc1 ZINC000430648743 387635588 /nfs/dbraw/zinc/63/55/88/387635588.db2.gz HKQDIROZCNVLGT-OAHLLOKOSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCCC1 ZINC000422727677 387635867 /nfs/dbraw/zinc/63/58/67/387635867.db2.gz DAMSHUBFJIZOHL-JTQLQIEISA-N 1 3 233.359 2.442 20 0 BEADHO CCCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422728087 387636190 /nfs/dbraw/zinc/63/61/90/387636190.db2.gz FASCSZXOIZFSGY-SNVBAGLBSA-N 1 3 221.348 2.299 20 0 BEADHO C[C@H](N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422726825 387636347 /nfs/dbraw/zinc/63/63/47/387636347.db2.gz GAMKZSUXASMUTL-XQHKEYJVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)[C@@H]1CCCN1 ZINC000422726825 387636352 /nfs/dbraw/zinc/63/63/52/387636352.db2.gz GAMKZSUXASMUTL-XQHKEYJVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732983 387641202 /nfs/dbraw/zinc/64/12/02/387641202.db2.gz PYRVXJHJTPAPFB-NEPJUHHUSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1ccccc1 ZINC000422732919 387641327 /nfs/dbraw/zinc/64/13/27/387641327.db2.gz PVGRUUXSJNIRRH-QWHCGFSZSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCc1ccccc1 ZINC000422732919 387641329 /nfs/dbraw/zinc/64/13/29/387641329.db2.gz PVGRUUXSJNIRRH-QWHCGFSZSA-N 1 3 220.360 2.335 20 0 BEADHO Cc1ccccc1OCCCN[C@H]1CCC[C@H]1[NH3+] ZINC000422740800 387649216 /nfs/dbraw/zinc/64/92/16/387649216.db2.gz NFLFJMHOJBTKEL-KGLIPLIRSA-N 1 3 248.370 2.233 20 0 BEADHO Cc1ccccc1C[C@H](C)N[C@@H](C)C1C[NH2+]C1 ZINC000422746496 387650876 /nfs/dbraw/zinc/65/08/76/387650876.db2.gz WQWNPQJRPCZTOK-STQMWFEESA-N 1 3 232.371 2.124 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422746496 387650878 /nfs/dbraw/zinc/65/08/78/387650878.db2.gz WQWNPQJRPCZTOK-STQMWFEESA-N 1 3 232.371 2.124 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCNc1ccccc1 ZINC000422752111 387654933 /nfs/dbraw/zinc/65/49/33/387654933.db2.gz GWTZJGKOIUCWEV-STQMWFEESA-N 1 3 235.375 2.204 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCNc1ccccc1 ZINC000422752111 387654937 /nfs/dbraw/zinc/65/49/37/387654937.db2.gz GWTZJGKOIUCWEV-STQMWFEESA-N 1 3 235.375 2.204 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cccs1 ZINC000422750696 387655048 /nfs/dbraw/zinc/65/50/48/387655048.db2.gz DMRDXTVOBNRWOK-AAEUAGOBSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cccs1 ZINC000422750696 387655050 /nfs/dbraw/zinc/65/50/50/387655050.db2.gz DMRDXTVOBNRWOK-AAEUAGOBSA-N 1 3 238.400 2.268 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000422749867 387655152 /nfs/dbraw/zinc/65/51/52/387655152.db2.gz BFSQIZBMBUCPOP-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422749867 387655155 /nfs/dbraw/zinc/65/51/55/387655155.db2.gz BFSQIZBMBUCPOP-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCNc1ccccc1 ZINC000422752108 387655267 /nfs/dbraw/zinc/65/52/67/387655267.db2.gz GWTZJGKOIUCWEV-CHWSQXEVSA-N 1 3 235.375 2.204 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCNc1ccccc1 ZINC000422752108 387655271 /nfs/dbraw/zinc/65/52/71/387655271.db2.gz GWTZJGKOIUCWEV-CHWSQXEVSA-N 1 3 235.375 2.204 20 0 BEADHO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1C ZINC000422753122 387658737 /nfs/dbraw/zinc/65/87/37/387658737.db2.gz DQGKNGBSBMZICD-NEPJUHHUSA-N 1 3 236.359 2.219 20 0 BEADHO Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422756416 387659030 /nfs/dbraw/zinc/65/90/30/387659030.db2.gz IQYPDOLVNHZAAU-VXGBXAGGSA-N 1 3 206.333 2.210 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccc(Cl)c1 ZINC000422758393 387660468 /nfs/dbraw/zinc/66/04/68/387660468.db2.gz IYIXGXRXXGDAKT-STQMWFEESA-N 1 3 238.762 2.352 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422758299 387661292 /nfs/dbraw/zinc/66/12/92/387661292.db2.gz NTUWHNNAOOTXKS-UKRRQHHQSA-N 1 3 247.386 2.206 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422758298 387661332 /nfs/dbraw/zinc/66/13/32/387661332.db2.gz NTUWHNNAOOTXKS-HIFRSBDPSA-N 1 3 247.386 2.206 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCc1cccc(Cl)c1 ZINC000422758392 387661568 /nfs/dbraw/zinc/66/15/68/387661568.db2.gz IYIXGXRXXGDAKT-QWHCGFSZSA-N 1 3 238.762 2.352 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccccc1F ZINC000422766367 387664941 /nfs/dbraw/zinc/66/49/41/387664941.db2.gz PXNOUENBSNTSED-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccccc1F ZINC000422766367 387664944 /nfs/dbraw/zinc/66/49/44/387664944.db2.gz PXNOUENBSNTSED-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422765729 387665750 /nfs/dbraw/zinc/66/57/50/387665750.db2.gz LAQWPUKYGSZISK-UONOGXRCSA-N 1 3 248.345 2.327 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000422771205 387671036 /nfs/dbraw/zinc/67/10/36/387671036.db2.gz XEHNNMNWXLPJCO-KBPBESRZSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCN(C)c1ccccc1 ZINC000422771205 387671039 /nfs/dbraw/zinc/67/10/39/387671039.db2.gz XEHNNMNWXLPJCO-KBPBESRZSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@H](NCC1(c2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000422770930 387671148 /nfs/dbraw/zinc/67/11/48/387671148.db2.gz QTFQRVNAPGOIEW-NSHDSACASA-N 1 3 248.345 2.055 20 0 BEADHO C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1CNC1 ZINC000422770930 387671151 /nfs/dbraw/zinc/67/11/51/387671151.db2.gz QTFQRVNAPGOIEW-NSHDSACASA-N 1 3 248.345 2.055 20 0 BEADHO C1=CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000527742480 387686452 /nfs/dbraw/zinc/68/64/52/387686452.db2.gz BQNDOLTUBLAUGA-KGLIPLIRSA-N 1 3 220.360 2.169 20 0 BEADHO CC[C@H](F)C[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000440770704 387689866 /nfs/dbraw/zinc/68/98/66/387689866.db2.gz KSZSYUCCHGMPGZ-AGIUHOORSA-N 1 3 230.371 2.397 20 0 BEADHO CC[C@H](F)C[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000440770704 387689869 /nfs/dbraw/zinc/68/98/69/387689869.db2.gz KSZSYUCCHGMPGZ-AGIUHOORSA-N 1 3 230.371 2.397 20 0 BEADHO Cc1ncc([C@H](C)NCC2=CC[NH2+]CC2)s1 ZINC000643520334 387690681 /nfs/dbraw/zinc/69/06/81/387690681.db2.gz PBTGCUKHJDADOL-VIFPVBQESA-N 1 3 237.372 2.022 20 0 BEADHO CO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422743325 387690929 /nfs/dbraw/zinc/69/09/29/387690929.db2.gz TYGDYDWCDJZCDO-MBNYWOFBSA-N 1 3 236.359 2.090 20 0 BEADHO Cc1cccc(C(C)(C)CN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422792425 387691975 /nfs/dbraw/zinc/69/19/75/387691975.db2.gz ZDNPQPSTKNQKPD-ZDUSSCGKSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1cccc(C(C)(C)C[NH2+][C@@H](C)C2CNC2)c1 ZINC000422792425 387691980 /nfs/dbraw/zinc/69/19/80/387691980.db2.gz ZDNPQPSTKNQKPD-ZDUSSCGKSA-N 1 3 246.398 2.470 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000643526300 387748510 /nfs/dbraw/zinc/74/85/10/387748510.db2.gz XXTTWOFHZXPKDK-IUCAKERBSA-N 1 3 244.285 2.286 20 0 BEADHO Cc1cc(F)ccc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422867937 387748827 /nfs/dbraw/zinc/74/88/27/387748827.db2.gz TWSMJRNFZJBVBF-NWDGAFQWSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1cc(F)ccc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000422867937 387748829 /nfs/dbraw/zinc/74/88/29/387748829.db2.gz TWSMJRNFZJBVBF-NWDGAFQWSA-N 1 3 238.350 2.392 20 0 BEADHO CO[C@@H](C)[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000128593135 387749263 /nfs/dbraw/zinc/74/92/63/387749263.db2.gz SBKDAWBAJXUAMZ-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000643526298 387749531 /nfs/dbraw/zinc/74/95/31/387749531.db2.gz XXTTWOFHZXPKDK-BDAKNGLRSA-N 1 3 244.285 2.286 20 0 BEADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)N)c(C)s1 ZINC000643526334 387749553 /nfs/dbraw/zinc/74/95/53/387749553.db2.gz ZVVHNWZJWZURQO-VXNVDRBHSA-N 1 3 212.362 2.363 20 0 BEADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526309 387749941 /nfs/dbraw/zinc/74/99/41/387749941.db2.gz YYKAHDUDARGASG-VXGBXAGGSA-N 1 3 236.359 2.473 20 0 BEADHO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422878758 387756564 /nfs/dbraw/zinc/75/65/64/387756564.db2.gz KOBJREQDIAOQJS-KGLIPLIRSA-N 1 3 234.343 2.055 20 0 BEADHO C(CC1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422802959 387701631 /nfs/dbraw/zinc/70/16/31/387701631.db2.gz ICXDJODWPCJQFB-PBWFPOADSA-N 1 3 222.376 2.439 20 0 BEADHO CO[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C(C)(C)C ZINC000422805391 387704900 /nfs/dbraw/zinc/70/49/00/387704900.db2.gz GPGPHUBJWJUNFY-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO COCc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422807007 387705037 /nfs/dbraw/zinc/70/50/37/387705037.db2.gz LOMJRABGOLZIOT-NWDGAFQWSA-N 1 3 236.359 2.048 20 0 BEADHO C[C@H]([NH2+]CCCC1CCCC1)C1CNC1 ZINC000422809239 387707850 /nfs/dbraw/zinc/70/78/50/387707850.db2.gz RMYMXOHIKKEUQK-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H]1CCC[C@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422877795 387755189 /nfs/dbraw/zinc/75/51/89/387755189.db2.gz RSAIEVRAIFJBHI-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccsc1 ZINC000422811102 387708965 /nfs/dbraw/zinc/70/89/65/387708965.db2.gz TZYBHQXODGAJQV-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccsc1 ZINC000422811102 387708970 /nfs/dbraw/zinc/70/89/70/387708970.db2.gz TZYBHQXODGAJQV-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000422877795 387755194 /nfs/dbraw/zinc/75/51/94/387755194.db2.gz RSAIEVRAIFJBHI-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422812911 387712270 /nfs/dbraw/zinc/71/22/70/387712270.db2.gz YIOYZIYDPVJBBU-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@@H]([NH2+]C[C@H](C)N)c1ccccc1 ZINC000643525946 387755380 /nfs/dbraw/zinc/75/53/80/387755380.db2.gz JOOJPSAUSCEKTA-WCQYABFASA-N 1 3 206.333 2.465 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C1CNC1 ZINC000422819919 387717907 /nfs/dbraw/zinc/71/79/07/387717907.db2.gz OJULRAXHLHMGNQ-NTZNESFSSA-N 1 3 224.392 2.399 20 0 BEADHO C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCCNCC1 ZINC000643522288 387719694 /nfs/dbraw/zinc/71/96/94/387719694.db2.gz KVCNRJHSZNLIGS-NWDGAFQWSA-N 1 3 208.349 2.051 20 0 BEADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422831272 387723909 /nfs/dbraw/zinc/72/39/09/387723909.db2.gz DHLYJHJWIRAQOC-WCFLWFBJSA-N 1 3 242.432 2.248 20 0 BEADHO CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000422831272 387723915 /nfs/dbraw/zinc/72/39/15/387723915.db2.gz DHLYJHJWIRAQOC-WCFLWFBJSA-N 1 3 242.432 2.248 20 0 BEADHO CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422832171 387726404 /nfs/dbraw/zinc/72/64/04/387726404.db2.gz KMIMRVWONRHEPA-LSDHHAIUSA-N 1 3 248.370 2.193 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC1(C)C)[C@H]1CCCN1 ZINC000422839645 387729202 /nfs/dbraw/zinc/72/92/02/387729202.db2.gz RAVSBGBICMONQP-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1F ZINC000422789684 387730722 /nfs/dbraw/zinc/73/07/22/387730722.db2.gz BKZLHXBQMLPSON-MNOVXSKESA-N 1 3 224.323 2.350 20 0 BEADHO Cc1cc(F)ccc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422849229 387734690 /nfs/dbraw/zinc/73/46/90/387734690.db2.gz BPUVUJXOHIQSLQ-ZIAGYGMSSA-N 1 3 236.334 2.146 20 0 BEADHO CC[C@@H]1CCC[C@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422877798 387755914 /nfs/dbraw/zinc/75/59/14/387755914.db2.gz RSAIEVRAIFJBHI-UMSGYPCISA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000422877798 387755915 /nfs/dbraw/zinc/75/59/15/387755915.db2.gz RSAIEVRAIFJBHI-UMSGYPCISA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356877076 387737958 /nfs/dbraw/zinc/73/79/58/387737958.db2.gz RVNCSHIRFXTCBH-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000441223261 387738064 /nfs/dbraw/zinc/73/80/64/387738064.db2.gz CRUKYFZISLRMCM-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@H]1CCCC[C@@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000441223261 387738071 /nfs/dbraw/zinc/73/80/71/387738071.db2.gz CRUKYFZISLRMCM-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@H]1CCCC[C@@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000441223261 387738078 /nfs/dbraw/zinc/73/80/78/387738078.db2.gz CRUKYFZISLRMCM-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1(C)C ZINC000422856063 387742313 /nfs/dbraw/zinc/74/23/13/387742313.db2.gz WMSLSBMXFVJWDQ-ZDEQEGDKSA-N 1 3 240.391 2.050 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000129200814 387763419 /nfs/dbraw/zinc/76/34/19/387763419.db2.gz TWTNUQJEWRGBNN-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000129200814 387763425 /nfs/dbraw/zinc/76/34/25/387763425.db2.gz TWTNUQJEWRGBNN-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)c1csc(CN[C@H](C)CCC[NH3+])n1 ZINC000422893747 387764380 /nfs/dbraw/zinc/76/43/80/387764380.db2.gz RDKGWKDOQFRXDF-SNVBAGLBSA-N 1 3 241.404 2.484 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422897571 387766652 /nfs/dbraw/zinc/76/66/52/387766652.db2.gz CBULUTBBPFFUPB-YIYPIFLZSA-N 1 3 240.391 2.064 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422910694 387769329 /nfs/dbraw/zinc/76/93/29/387769329.db2.gz RJOOOBGUSGJSIO-OFQRWUPVSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCc2ccccc21 ZINC000422911243 387769707 /nfs/dbraw/zinc/76/97/07/387769707.db2.gz SJDKPRFDJWGWKZ-IVMMDQJWSA-N 1 3 244.382 2.304 20 0 BEADHO CC[C@@H](Cc1ccc(C)cc1)NC[C@@H](C)[NH3+] ZINC000643528561 387770462 /nfs/dbraw/zinc/77/04/62/387770462.db2.gz LLLGZSHSIXNOJW-OCCSQVGLSA-N 1 3 220.360 2.253 20 0 BEADHO CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643528621 387770579 /nfs/dbraw/zinc/77/05/79/387770579.db2.gz MELTXMRCERDBPW-NXEZZACHSA-N 1 3 224.373 2.406 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCCc1cccc(F)c1 ZINC000422912259 387771295 /nfs/dbraw/zinc/77/12/95/387771295.db2.gz VRIFESDIXJTHIQ-UONOGXRCSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000643528085 387773731 /nfs/dbraw/zinc/77/37/31/387773731.db2.gz YWYCITWUAQPXDN-OIMNJJJWSA-N 1 3 218.344 2.115 20 0 BEADHO Cc1cc([C@@H](C)[NH2+]C[C@H](C)N)cc(C)c1F ZINC000643529076 387773746 /nfs/dbraw/zinc/77/37/46/387773746.db2.gz UKJONSPXGRJHEN-WDEREUQCSA-N 1 3 224.323 2.440 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000643529097 387775591 /nfs/dbraw/zinc/77/55/91/387775591.db2.gz VETNZUKNYQFSSN-PSASIEDQSA-N 1 3 210.346 2.062 20 0 BEADHO C[C@@H](NC[C@H](C)[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000643528081 387775751 /nfs/dbraw/zinc/77/57/51/387775751.db2.gz YUTQGBSBATUAOL-XCCSTKFXSA-N 1 3 218.344 2.115 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422921475 387776101 /nfs/dbraw/zinc/77/61/01/387776101.db2.gz QANUJSFTBZQRPO-QWHCGFSZSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cccc(CC[C@H](C)NC[C@@H](C)[NH3+])c1 ZINC000643529380 387777351 /nfs/dbraw/zinc/77/73/51/387777351.db2.gz ZBXOFGVXRLTGHV-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1OCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422944479 387786403 /nfs/dbraw/zinc/78/64/03/387786403.db2.gz MHXPAWOGHSUCNM-QWHCGFSZSA-N 1 3 236.359 2.089 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)Oc1ccccc1 ZINC000422980906 387790671 /nfs/dbraw/zinc/79/06/71/387790671.db2.gz MRKACFCMAKKCQA-AVGNSLFASA-N 1 3 236.359 2.169 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422982958 387793315 /nfs/dbraw/zinc/79/33/15/387793315.db2.gz YHIQSLKAFJNKEN-QJPTWQEYSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422982958 387793321 /nfs/dbraw/zinc/79/33/21/387793321.db2.gz YHIQSLKAFJNKEN-QJPTWQEYSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCC(F)(F)F ZINC000422962462 387813133 /nfs/dbraw/zinc/81/31/33/387813133.db2.gz CORPZFHWZQCSLH-JGVFFNPUSA-N 1 3 212.259 2.044 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCC1(Cc2ccccc2)CC1 ZINC000422991281 387800352 /nfs/dbraw/zinc/80/03/52/387800352.db2.gz ASQGUNJLCSAEBL-LSDHHAIUSA-N 1 3 244.382 2.479 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000422991655 387800639 /nfs/dbraw/zinc/80/06/39/387800639.db2.gz PYPCZMNEYKYUNQ-XDQVBPFNSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000422991650 387800871 /nfs/dbraw/zinc/80/08/71/387800871.db2.gz PYPCZMNEYKYUNQ-FQUUOJAGSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000422954362 387809222 /nfs/dbraw/zinc/80/92/22/387809222.db2.gz IJTQIKNFZXAKBJ-WOPDTQHZSA-N 1 3 210.365 2.010 20 0 BEADHO CSC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000193825164 387810566 /nfs/dbraw/zinc/81/05/66/387810566.db2.gz YWXLCAOYVKDYKP-VXGBXAGGSA-N 1 3 240.416 2.098 20 0 BEADHO CSC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000193825164 387810571 /nfs/dbraw/zinc/81/05/71/387810571.db2.gz YWXLCAOYVKDYKP-VXGBXAGGSA-N 1 3 240.416 2.098 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC23CC3)C1 ZINC000527855957 387757363 /nfs/dbraw/zinc/75/73/63/387757363.db2.gz XKJUXRAHAQPYRP-BFHYXJOUSA-N 1 3 236.403 2.497 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)N)c1cccc(F)c1 ZINC000643526591 387758192 /nfs/dbraw/zinc/75/81/92/387758192.db2.gz BSYZADJGBYUECZ-JOYOIKCWSA-N 1 3 210.296 2.214 20 0 BEADHO CCOc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422882724 387758191 /nfs/dbraw/zinc/75/81/91/387758191.db2.gz SUUZKDWFRSFKIK-VXGBXAGGSA-N 1 3 236.359 2.301 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C2CNC2)c(C)c1 ZINC000422886254 387761238 /nfs/dbraw/zinc/76/12/38/387761238.db2.gz INVWIWMMJBINOT-KGLIPLIRSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1ccc(C[C@@H](C)N[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422886254 387761239 /nfs/dbraw/zinc/76/12/39/387761239.db2.gz INVWIWMMJBINOT-KGLIPLIRSA-N 1 3 246.398 2.432 20 0 BEADHO C[C@H](N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000643527058 387761547 /nfs/dbraw/zinc/76/15/47/387761547.db2.gz COEPVTWVMNSRME-UFBFGSQYSA-N 1 3 224.735 2.264 20 0 BEADHO C[C@H]([NH2+]CCc1ccccc1O)[C@H]1CCCCN1 ZINC000422973464 387821745 /nfs/dbraw/zinc/82/17/45/387821745.db2.gz OTRMWNJIPGDDJK-GXTWGEPZSA-N 1 3 248.370 2.055 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000422976013 387825857 /nfs/dbraw/zinc/82/58/57/387825857.db2.gz CRWOEWDARUYNML-NEPJUHHUSA-N 1 3 232.371 2.117 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000423013657 387835493 /nfs/dbraw/zinc/83/54/93/387835493.db2.gz NECBQBBCEUAYRY-IALDZJHCSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)CSCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423012168 387835890 /nfs/dbraw/zinc/83/58/90/387835890.db2.gz KEPWUQMNBSBKCT-GHMZBOCLSA-N 1 3 218.410 2.091 20 0 BEADHO CC(C)CSCCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423013903 387836189 /nfs/dbraw/zinc/83/61/89/387836189.db2.gz NTKMIJJOXLLKKG-VXGBXAGGSA-N 1 3 230.421 2.235 20 0 BEADHO CC(C)CSCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000423012191 387836546 /nfs/dbraw/zinc/83/65/46/387836546.db2.gz KGAXVWBRZURPLX-STQMWFEESA-N 1 3 244.448 2.483 20 0 BEADHO CC(C)CSCCC[NH2+][C@H](C)C[C@H](C)N ZINC000423014866 387838101 /nfs/dbraw/zinc/83/81/01/387838101.db2.gz PYEQKZWFPSIPSP-NWDGAFQWSA-N 1 3 232.437 2.481 20 0 BEADHO CC(C)CSCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000423014867 387838425 /nfs/dbraw/zinc/83/84/25/387838425.db2.gz PYEQKZWFPSIPSP-RYUDHWBXSA-N 1 3 232.437 2.481 20 0 BEADHO Cc1cnccc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423016235 387839756 /nfs/dbraw/zinc/83/97/56/387839756.db2.gz SKRYVDXFQVOXOG-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423029445 387846558 /nfs/dbraw/zinc/84/65/58/387846558.db2.gz AHTMFABTBLGJMZ-IHRRRGAJSA-N 1 3 240.391 2.053 20 0 BEADHO CS[C@H](CN[C@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000423031923 387848562 /nfs/dbraw/zinc/84/85/62/387848562.db2.gz LQTSCSQGIJZZAO-OUAUKWLOSA-N 1 3 230.421 2.234 20 0 BEADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643534515 387852214 /nfs/dbraw/zinc/85/22/14/387852214.db2.gz WQUYDBJIIYEGJB-ZYHUDNBSSA-N 1 3 220.316 2.072 20 0 BEADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643534512 387852657 /nfs/dbraw/zinc/85/26/57/387852657.db2.gz WQUYDBJIIYEGJB-CMPLNLGQSA-N 1 3 220.316 2.072 20 0 BEADHO C[N@H+]1C[C@H]2CN(CCCc3ccccc3)C[C@H]2C1 ZINC000193604554 387856331 /nfs/dbraw/zinc/85/63/31/387856331.db2.gz UBLWNEUTTNEUNH-IYBDPMFKSA-N 1 3 244.382 2.113 20 0 BEADHO C[N@@H+]1C[C@H]2CN(CCCc3ccccc3)C[C@H]2C1 ZINC000193604554 387856332 /nfs/dbraw/zinc/85/63/32/387856332.db2.gz UBLWNEUTTNEUNH-IYBDPMFKSA-N 1 3 244.382 2.113 20 0 BEADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)N)CCO1 ZINC000423046269 387857948 /nfs/dbraw/zinc/85/79/48/387857948.db2.gz TUQKOTXIRCUDFT-REWJHTLYSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C1CNC1 ZINC000423074913 387874353 /nfs/dbraw/zinc/87/43/53/387874353.db2.gz NDUVVVJKIMZCRQ-DTWKUNHWSA-N 1 3 238.297 2.305 20 0 BEADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc(O)c1 ZINC000643534945 387861956 /nfs/dbraw/zinc/86/19/56/387861956.db2.gz GEFTZIXJRFRUBN-RISCZKNCSA-N 1 3 246.354 2.185 20 0 BEADHO CSCCCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423055018 387862476 /nfs/dbraw/zinc/86/24/76/387862476.db2.gz VHPXBPIHMSLSJR-FUNVUKJBSA-N 1 3 242.432 2.392 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423060314 387864497 /nfs/dbraw/zinc/86/44/97/387864497.db2.gz OEJPINXTEWDOLP-QWRGUYRKSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)C1C[NH2+]C1 ZINC000423059051 387865509 /nfs/dbraw/zinc/86/55/09/387865509.db2.gz KUYVBRBDQYZXGB-WCBMZHEXSA-N 1 3 238.297 2.161 20 0 BEADHO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C1CNC1 ZINC000423059051 387865512 /nfs/dbraw/zinc/86/55/12/387865512.db2.gz KUYVBRBDQYZXGB-WCBMZHEXSA-N 1 3 238.297 2.161 20 0 BEADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccoc1 ZINC000643536166 387867448 /nfs/dbraw/zinc/86/74/48/387867448.db2.gz RZFBKWTVSKCGLS-PWSUYJOCSA-N 1 3 220.316 2.072 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423067845 387870258 /nfs/dbraw/zinc/87/02/58/387870258.db2.gz AHQREBRYQCPVSP-IKWCTNDRSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H](C)C[C@H](C)N ZINC000422965065 387813801 /nfs/dbraw/zinc/81/38/01/387813801.db2.gz NMGZTJKERPNXLN-QJPTWQEYSA-N 1 3 224.348 2.316 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422965065 387813807 /nfs/dbraw/zinc/81/38/07/387813807.db2.gz NMGZTJKERPNXLN-QJPTWQEYSA-N 1 3 224.348 2.316 20 0 BEADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](C)N ZINC000442656102 387815232 /nfs/dbraw/zinc/81/52/32/387815232.db2.gz DOCQMWPUBFETBO-OCCSQVGLSA-N 1 3 248.370 2.049 20 0 BEADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](C)N ZINC000442656102 387815237 /nfs/dbraw/zinc/81/52/37/387815237.db2.gz DOCQMWPUBFETBO-OCCSQVGLSA-N 1 3 248.370 2.049 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)[C@@H]1C)C1CNC1 ZINC000423101642 387889879 /nfs/dbraw/zinc/88/98/79/387889879.db2.gz WEFRXSNJZQOQKI-MROQNXINSA-N 1 3 224.392 2.256 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000423101934 387890044 /nfs/dbraw/zinc/89/00/44/387890044.db2.gz WOJZJTZIKKLENX-RFGFWPKPSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)SCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423105357 387890349 /nfs/dbraw/zinc/89/03/49/387890349.db2.gz IFPNUQOBKBFBLC-NWDGAFQWSA-N 1 3 230.421 2.378 20 0 BEADHO Cc1cc([C@@H](C)N[C@H](C)CCCC[NH3+])no1 ZINC000423105774 387891780 /nfs/dbraw/zinc/89/17/80/387891780.db2.gz CKEOWQAIBZONSW-MWLCHTKSSA-N 1 3 225.336 2.151 20 0 BEADHO CC(C)SCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423105359 387892194 /nfs/dbraw/zinc/89/21/94/387892194.db2.gz IFPNUQOBKBFBLC-VXGBXAGGSA-N 1 3 230.421 2.378 20 0 BEADHO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)C1CNC1 ZINC000423110407 387893288 /nfs/dbraw/zinc/89/32/88/387893288.db2.gz HXZMRTLIZAENAV-OPFPJEHXSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H](N[C@H]1CCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423109976 387893634 /nfs/dbraw/zinc/89/36/34/387893634.db2.gz OHHNMWGJKIJTPJ-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO COCC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C(C)(C)C ZINC000423116777 387898917 /nfs/dbraw/zinc/89/89/17/387898917.db2.gz RLSNJDIKOVNTKM-UTUOFQBUSA-N 1 3 230.396 2.153 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCC12CCCC2 ZINC000423077820 387876084 /nfs/dbraw/zinc/87/60/84/387876084.db2.gz URYXGSABJVWXEI-QJPTWQEYSA-N 1 3 210.365 2.425 20 0 BEADHO CC1(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423083673 387878134 /nfs/dbraw/zinc/87/81/34/387878134.db2.gz GFYREANMORHCIA-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCC1 ZINC000423086188 387880912 /nfs/dbraw/zinc/88/09/12/387880912.db2.gz LMOKRNSDDNXTCR-VXGBXAGGSA-N 1 3 242.432 2.250 20 0 BEADHO CSC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCC1 ZINC000423086187 387881656 /nfs/dbraw/zinc/88/16/56/387881656.db2.gz LMOKRNSDDNXTCR-RYUDHWBXSA-N 1 3 242.432 2.250 20 0 BEADHO COCC[C@@H]([NH2+][C@@H]1CCCNCC1)C(C)(C)C ZINC000423117232 387898643 /nfs/dbraw/zinc/89/86/43/387898643.db2.gz UIRYAUYCLAEEGZ-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423095867 387886008 /nfs/dbraw/zinc/88/60/08/387886008.db2.gz NHHROIYZSRSNOA-XDQVBPFNSA-N 1 3 222.376 2.282 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000423116156 387898713 /nfs/dbraw/zinc/89/87/13/387898713.db2.gz ZRTPHBCBTMPAGT-CHIMOYNISA-N 1 3 233.359 2.298 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1ccccc1F ZINC000423097888 387886559 /nfs/dbraw/zinc/88/65/59/387886559.db2.gz RIUUFAXDKIRNCA-KGLIPLIRSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423098107 387887588 /nfs/dbraw/zinc/88/75/88/387887588.db2.gz KGFUOJPHXGRNSK-AAVRWANBSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@H](C)F ZINC000423140128 387918438 /nfs/dbraw/zinc/91/84/38/387918438.db2.gz XKMIXFZUIAEWPZ-VHSXEESVSA-N 1 3 239.338 2.247 20 0 BEADHO FC1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423118769 387901027 /nfs/dbraw/zinc/90/10/27/387901027.db2.gz CEWZMKCUUWJANV-FOSCPWQOSA-N 1 3 226.339 2.141 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000423126548 387904696 /nfs/dbraw/zinc/90/46/96/387904696.db2.gz AVTYFZJRPLYGSL-XQLPTFJDSA-N 1 3 230.355 2.260 20 0 BEADHO C=Cc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000423125554 387905857 /nfs/dbraw/zinc/90/58/57/387905857.db2.gz ADXJHSFMMJABKE-CZUORRHYSA-N 1 3 244.382 2.460 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCSC1 ZINC000423134571 387911490 /nfs/dbraw/zinc/91/14/90/387911490.db2.gz WXWCCBCTGRMQSS-ACJTYDJDSA-N 1 3 240.416 2.002 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCSC1 ZINC000423134572 387912645 /nfs/dbraw/zinc/91/26/45/387912645.db2.gz WXWCCBCTGRMQSS-FKJOKYEKSA-N 1 3 240.416 2.002 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCF ZINC000423139475 387915939 /nfs/dbraw/zinc/91/59/39/387915939.db2.gz KVOUWFBOBZYXAB-SNVBAGLBSA-N 1 3 239.338 2.249 20 0 BEADHO Cc1cccnc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423151968 387929780 /nfs/dbraw/zinc/92/97/80/387929780.db2.gz LAJIHAIZTSXXRZ-UKRRQHHQSA-N 1 3 247.386 2.182 20 0 BEADHO FC1(F)CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423153917 387933024 /nfs/dbraw/zinc/93/30/24/387933024.db2.gz OCIQJMLLDYWSHA-YIBTVLSRSA-N 1 3 244.329 2.294 20 0 BEADHO C[C@@H](NC1(Cc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000423155835 387935057 /nfs/dbraw/zinc/93/50/57/387935057.db2.gz LUAYFHSSZXUING-LLVKDONJSA-N 1 3 248.345 2.098 20 0 BEADHO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)C1CNC1 ZINC000423155835 387935060 /nfs/dbraw/zinc/93/50/60/387935060.db2.gz LUAYFHSSZXUING-LLVKDONJSA-N 1 3 248.345 2.098 20 0 BEADHO Cc1cccc2c1OC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C2 ZINC000423144410 387920096 /nfs/dbraw/zinc/92/00/96/387920096.db2.gz YWIZXVORNITQEH-MBNYWOFBSA-N 1 3 248.370 2.014 20 0 BEADHO C[C@H](NC[C@@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000423144744 387920277 /nfs/dbraw/zinc/92/02/77/387920277.db2.gz HUZGAHDPZSVEES-ONGXEEELSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CNC1 ZINC000423144744 387920283 /nfs/dbraw/zinc/92/02/83/387920283.db2.gz HUZGAHDPZSVEES-ONGXEEELSA-N 1 3 232.318 2.009 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CSc2ccccc21 ZINC000423142906 387920768 /nfs/dbraw/zinc/92/07/68/387920768.db2.gz BPHRLAIRYCANDY-RAIGVLPGSA-N 1 3 248.395 2.345 20 0 BEADHO CCC[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])OC ZINC000423144613 387921269 /nfs/dbraw/zinc/92/12/69/387921269.db2.gz HNAXCDXNLUJMLK-JHJVBQTASA-N 1 3 228.380 2.051 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCc2ccccc21)C1CNC1 ZINC000423142707 387921514 /nfs/dbraw/zinc/92/15/14/387921514.db2.gz BHJMHTCIGBJTLS-GXTWGEPZSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](NCC[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000423142707 387921517 /nfs/dbraw/zinc/92/15/17/387921517.db2.gz BHJMHTCIGBJTLS-GXTWGEPZSA-N 1 3 244.382 2.304 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@H]1C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423148448 387924785 /nfs/dbraw/zinc/92/47/85/387924785.db2.gz GBDVYZCUGFGNNT-XUXIUFHCSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)[C@@H]1CCCN1 ZINC000423148448 387924788 /nfs/dbraw/zinc/92/47/88/387924788.db2.gz GBDVYZCUGFGNNT-XUXIUFHCSA-N 1 3 224.392 2.399 20 0 BEADHO CCn1ccnc1[C@@H](C)N[C@@H](C)CCCC[NH3+] ZINC000423146889 387926250 /nfs/dbraw/zinc/92/62/50/387926250.db2.gz BNJMASAVFPJBFA-NWDGAFQWSA-N 1 3 238.379 2.071 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423169740 387954403 /nfs/dbraw/zinc/95/44/03/387954403.db2.gz KJJMILUNTKEYAG-FDYHWXHSSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)C1CNC1 ZINC000423160998 387940459 /nfs/dbraw/zinc/94/04/59/387940459.db2.gz IHJBRYZLYHMFMO-LLVKDONJSA-N 1 3 222.376 2.320 20 0 BEADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000238576552 387941154 /nfs/dbraw/zinc/94/11/54/387941154.db2.gz IVFXJVVIRIKHBP-GHMZBOCLSA-N 1 3 210.346 2.108 20 0 BEADHO CNCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000394834724 387942468 /nfs/dbraw/zinc/94/24/68/387942468.db2.gz QDKDOBKEPNTEEC-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000394834724 387942471 /nfs/dbraw/zinc/94/24/71/387942471.db2.gz QDKDOBKEPNTEEC-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCCC[C@@H]1C ZINC000394834724 387942478 /nfs/dbraw/zinc/94/24/78/387942478.db2.gz QDKDOBKEPNTEEC-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]C1CCNCC1 ZINC000423162127 387943685 /nfs/dbraw/zinc/94/36/85/387943685.db2.gz KNFSGTQRJQWPHD-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@]1(C(C)C)C[C@@H]1NC1CC[NH2+]CC1 ZINC000423162127 387943689 /nfs/dbraw/zinc/94/36/89/387943689.db2.gz KNFSGTQRJQWPHD-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)O[C@H]1C[C@@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423161546 387944027 /nfs/dbraw/zinc/94/40/27/387944027.db2.gz JBEPBHDGROGZPK-RQJABVFESA-N 1 3 240.391 2.192 20 0 BEADHO CC[N@H+](C[C@@H]1CCCNC1)[C@@H](C)C(C)C ZINC000226437207 387947836 /nfs/dbraw/zinc/94/78/36/387947836.db2.gz UPBZWXISNFUCNT-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO CC[N@@H+](C[C@@H]1CCCNC1)[C@@H](C)C(C)C ZINC000226437207 387947842 /nfs/dbraw/zinc/94/78/42/387947842.db2.gz UPBZWXISNFUCNT-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000423166181 387949564 /nfs/dbraw/zinc/94/95/64/387949564.db2.gz QUMGSJWFUBCCJZ-RKDXNWHRSA-N 1 3 220.307 2.137 20 0 BEADHO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423166480 387950017 /nfs/dbraw/zinc/95/00/17/387950017.db2.gz CSVKKRJCNDOKLI-TUVASFSCSA-N 1 3 246.354 2.288 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C2CCNCC2)c(C)c1 ZINC000423177016 387961750 /nfs/dbraw/zinc/96/17/50/387961750.db2.gz DKQJCCUOSFBYKZ-LBPRGKRZSA-N 1 3 248.370 2.406 20 0 BEADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN)cc1 ZINC000423179438 387965130 /nfs/dbraw/zinc/96/51/30/387965130.db2.gz DFHQYHJNPQYZRM-VXGBXAGGSA-N 1 3 236.359 2.126 20 0 BEADHO Cc1ccc2c(c1)[C@H](NCCC[NH3+])[C@@H](C)C2 ZINC000423179954 387965216 /nfs/dbraw/zinc/96/52/16/387965216.db2.gz DOUCHXGZAQTHSF-SMDDNHRTSA-N 1 3 218.344 2.167 20 0 BEADHO C[C@H](NCCC[NH3+])c1cc2c(s1)CCC2 ZINC000423180531 387965740 /nfs/dbraw/zinc/96/57/40/387965740.db2.gz FDASYYGSZFTUTI-VIFPVBQESA-N 1 3 224.373 2.236 20 0 BEADHO CCC1CC(NCC2([NH3+])CCCCC2)C1 ZINC000423181341 387967213 /nfs/dbraw/zinc/96/72/13/387967213.db2.gz OXHGQRIZIDLJBT-UHFFFAOYSA-N 1 3 210.365 2.426 20 0 BEADHO CC[C@H](C[NH2+][C@H](C)C1CNC1)CC(F)(F)F ZINC000423185552 387970530 /nfs/dbraw/zinc/97/05/30/387970530.db2.gz NYNWPLNYDRYOKM-BDAKNGLRSA-N 1 3 238.297 2.163 20 0 BEADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCCN ZINC000423187623 387970680 /nfs/dbraw/zinc/97/06/80/387970680.db2.gz KXVWTXHXBOCETO-LLVKDONJSA-N 1 3 232.327 2.302 20 0 BEADHO C[C@H](Cc1coc2ccccc12)NCCC[NH3+] ZINC000423187623 387970687 /nfs/dbraw/zinc/97/06/87/387970687.db2.gz KXVWTXHXBOCETO-LLVKDONJSA-N 1 3 232.327 2.302 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000423201690 387987893 /nfs/dbraw/zinc/98/78/93/387987893.db2.gz POWYNTGTXXWYJV-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCNC ZINC000423205040 387992224 /nfs/dbraw/zinc/99/22/24/387992224.db2.gz VBYYVRYGRDSEFL-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423208365 387993479 /nfs/dbraw/zinc/99/34/79/387993479.db2.gz HTRPWSVCKICAHC-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)C1C(C)(C)C1(C)C ZINC000423209566 387993582 /nfs/dbraw/zinc/99/35/82/387993582.db2.gz VCHDBIIAKCNQPN-VHSXEESVSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369730 387993781 /nfs/dbraw/zinc/99/37/81/387993781.db2.gz CFXQFNJODNOIHF-YXCITZCRSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@H]1CCCNC1 ZINC000423212319 387995547 /nfs/dbraw/zinc/99/55/47/387995547.db2.gz ICEQGSGEUVWYSR-FHUSYTEZSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCCCCC1)[C@H]1CCCO1 ZINC000423198820 387983185 /nfs/dbraw/zinc/98/31/85/387983185.db2.gz ICHQBGINITYKHA-QWHCGFSZSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@H](NCC1([NH3+])CCCCCC1)[C@H]1CCCO1 ZINC000423198820 387983189 /nfs/dbraw/zinc/98/31/89/387983189.db2.gz ICHQBGINITYKHA-QWHCGFSZSA-N 1 3 240.391 2.195 20 0 BEADHO CNCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000423198599 387983952 /nfs/dbraw/zinc/98/39/52/387983952.db2.gz GSCXDPBRLFHWFH-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CCO[C@@H]1C[C@@H](NCCC[NH2+]C)C1(CC)CC ZINC000423198087 387984772 /nfs/dbraw/zinc/98/47/72/387984772.db2.gz CZWZJNACGOBRBD-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423198917 387985844 /nfs/dbraw/zinc/98/58/44/387985844.db2.gz IQVRSKMZULYAAL-HIFRSBDPSA-N 1 3 247.386 2.307 20 0 BEADHO C[NH2+]CCCN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423198917 387985850 /nfs/dbraw/zinc/98/58/50/387985850.db2.gz IQVRSKMZULYAAL-HIFRSBDPSA-N 1 3 247.386 2.307 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000423198878 387986154 /nfs/dbraw/zinc/98/61/54/387986154.db2.gz IKJXCWCWDIXKRE-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423198916 387986482 /nfs/dbraw/zinc/98/64/82/387986482.db2.gz IQVRSKMZULYAAL-DZGCQCFKSA-N 1 3 247.386 2.307 20 0 BEADHO C[NH2+]CCCN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423198916 387986486 /nfs/dbraw/zinc/98/64/86/387986486.db2.gz IQVRSKMZULYAAL-DZGCQCFKSA-N 1 3 247.386 2.307 20 0 BEADHO CCCCO[C@@H]1C[C@@H](NCCC[NH2+]C)C1(C)C ZINC000423200343 387986796 /nfs/dbraw/zinc/98/67/96/387986796.db2.gz LXVJLUUHBZJCRI-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@H]1C[C@H]1C ZINC000423215940 387997608 /nfs/dbraw/zinc/99/76/08/387997608.db2.gz NUWIJEVQRSGBFO-POQQGIQPSA-N 1 3 224.392 2.399 20 0 BEADHO CCO[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424372126 387997810 /nfs/dbraw/zinc/99/78/10/387997810.db2.gz HCEWVMIPPHOBAK-NDBYEHHHSA-N 1 3 240.391 2.050 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000423215283 387998430 /nfs/dbraw/zinc/99/84/30/387998430.db2.gz MVYLCEYVQKNHOP-UHTWSYAYSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CCC[NH3+])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424375322 387999844 /nfs/dbraw/zinc/99/98/44/387999844.db2.gz MUJJTVOLNUKRQD-BNOWGMLFSA-N 1 3 236.334 2.341 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382235 388001321 /nfs/dbraw/zinc/00/13/21/388001321.db2.gz RXIWRTXCSBYYOH-XUXIUFHCSA-N 1 3 222.376 2.140 20 0 BEADHO CC(C)C1CC([NH2+]C[C@H]2CCCNC2)C1 ZINC000423221228 388002127 /nfs/dbraw/zinc/00/21/27/388002127.db2.gz ZKLNMWFNKNYWAD-HIFPTAJRSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)[C@@H](NCC[C@H](C)[NH3+])c1cccnc1 ZINC000423222492 388004169 /nfs/dbraw/zinc/00/41/69/388004169.db2.gz BHEOVMOSZXZSTM-WCQYABFASA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423222633 388004769 /nfs/dbraw/zinc/00/47/69/388004769.db2.gz BXQZYKYFDAJPDR-GZBFAFLISA-N 1 3 247.386 2.435 20 0 BEADHO Cc1cc([C@@H](C)NCC[C@H](C)[NH3+])cs1 ZINC000423224708 388005726 /nfs/dbraw/zinc/00/57/26/388005726.db2.gz JZRKQASIZZVULL-WCBMZHEXSA-N 1 3 212.362 2.444 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)[C@H]1CCCC[C@H]1C ZINC000423163899 387996598 /nfs/dbraw/zinc/99/65/98/387996598.db2.gz WCBMGJYZCRCOOK-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)C[C@H]1CC ZINC000423240453 388023924 /nfs/dbraw/zinc/02/39/24/388023924.db2.gz GXPISTKSAPNJLK-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1nc([C@H](C)NCC[C@H]2CC[NH2+]C2)cs1 ZINC000423240722 388023940 /nfs/dbraw/zinc/02/39/40/388023940.db2.gz CRDWUFCCAZXSQE-GXSJLCMTSA-N 1 3 239.388 2.102 20 0 BEADHO CCC[C@@H]([NH2+]CCOCCN(C)C)C(C)(C)C ZINC000453211969 388011858 /nfs/dbraw/zinc/01/18/58/388011858.db2.gz FXYATLSMSFXOCL-CYBMUJFWSA-N 1 3 244.423 2.369 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423234130 388018832 /nfs/dbraw/zinc/01/88/32/388018832.db2.gz KZYXJYBAGQCFJT-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2)C1 ZINC000423234130 388018836 /nfs/dbraw/zinc/01/88/36/388018836.db2.gz KZYXJYBAGQCFJT-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@H](C)[C@H]1CCCC[C@H]1C ZINC000423236573 388021187 /nfs/dbraw/zinc/02/11/87/388021187.db2.gz OGVRIXJFZAWJEZ-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423239579 388022590 /nfs/dbraw/zinc/02/25/90/388022590.db2.gz SHILLKFPUJWPMD-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000423239579 388022592 /nfs/dbraw/zinc/02/25/92/388022592.db2.gz SHILLKFPUJWPMD-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@@H](C)C1CCC(F)(F)CC1 ZINC000423251286 388033794 /nfs/dbraw/zinc/03/37/94/388033794.db2.gz VRQJDDJSQKNRLQ-JTQLQIEISA-N 1 3 234.334 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1C(C)C ZINC000423253474 388034837 /nfs/dbraw/zinc/03/48/37/388034837.db2.gz ZDWVYSZYDMBKQR-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000423253799 388035538 /nfs/dbraw/zinc/03/55/38/388035538.db2.gz WIGWCJZQKSHGGK-VXGBXAGGSA-N 1 3 236.334 2.476 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423264525 388041999 /nfs/dbraw/zinc/04/19/99/388041999.db2.gz CDXDHYJCRURPRR-NILFDRSVSA-N 1 3 232.371 2.493 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423264863 388042347 /nfs/dbraw/zinc/04/23/47/388042347.db2.gz CJDSETBFBLVZFQ-NHYWBVRUSA-N 1 3 248.370 2.351 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000423266130 388043408 /nfs/dbraw/zinc/04/34/08/388043408.db2.gz CWQPXDZAIASFHS-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@@H](C)[C@@H](CC)NCC[NH2+]CC ZINC000423244600 388028167 /nfs/dbraw/zinc/02/81/67/388028167.db2.gz LHXPWKBESVKCKQ-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc(Cl)cc1 ZINC000258869047 135135805 /nfs/dbraw/zinc/13/58/05/135135805.db2.gz ZMTOUDGYOWRXJB-SECBINFHSA-N 1 3 212.724 2.024 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CNC)C(C)(C)C ZINC000423278205 388060028 /nfs/dbraw/zinc/06/00/28/388060028.db2.gz QUIOKXFBJHGOFH-MNOVXSKESA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423278532 388060142 /nfs/dbraw/zinc/06/01/42/388060142.db2.gz RHZYNFGVWCYULC-UONOGXRCSA-N 1 3 249.402 2.238 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423278533 388060322 /nfs/dbraw/zinc/06/03/22/388060322.db2.gz RHZYNFGVWCYULC-ZIAGYGMSSA-N 1 3 249.402 2.238 20 0 BEADHO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CNC ZINC000423279093 388060329 /nfs/dbraw/zinc/06/03/29/388060329.db2.gz RXNRSHAJPXJUJX-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000423280281 388062413 /nfs/dbraw/zinc/06/24/13/388062413.db2.gz UISHVJHHUHJQTF-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423281019 388063351 /nfs/dbraw/zinc/06/33/51/388063351.db2.gz VHUIDXIUOZLWBV-RWMBFGLXSA-N 1 3 230.371 2.350 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423281021 388063771 /nfs/dbraw/zinc/06/37/71/388063771.db2.gz VHUIDXIUOZLWBV-YNEHKIRRSA-N 1 3 230.371 2.350 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423285373 388068535 /nfs/dbraw/zinc/06/85/35/388068535.db2.gz ZFBDFIKDNLZODV-UONOGXRCSA-N 1 3 235.375 2.352 20 0 BEADHO CCO[C@H]1C[C@@H](NCC(C)(C)[NH3+])C1(CC)CC ZINC000423286905 388070734 /nfs/dbraw/zinc/07/07/34/388070734.db2.gz JJFWQRNYHGVTQN-NEPJUHHUSA-N 1 3 242.407 2.297 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)N ZINC000423288468 388072436 /nfs/dbraw/zinc/07/24/36/388072436.db2.gz SGKYPKWEAPLMCQ-GFCCVEGCSA-N 1 3 234.343 2.009 20 0 BEADHO C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000423289896 388074203 /nfs/dbraw/zinc/07/42/03/388074203.db2.gz BXUABONHVNKOKS-ZAZJYDDPSA-N 1 3 248.370 2.362 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000084217905 388075113 /nfs/dbraw/zinc/07/51/13/388075113.db2.gz SZHJUTMGBIUKFH-KGLIPLIRSA-N 1 3 218.344 2.212 20 0 BEADHO Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000084218113 388075434 /nfs/dbraw/zinc/07/54/34/388075434.db2.gz AVZBYRCZTWTJEO-KBPBESRZSA-N 1 3 218.344 2.212 20 0 BEADHO Cc1ccc2c(c1)OCCC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000423298388 388079444 /nfs/dbraw/zinc/07/94/44/388079444.db2.gz OGAFVDWBLDBRED-JSGCOSHPSA-N 1 3 248.370 2.393 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CC1 ZINC000324224232 388115200 /nfs/dbraw/zinc/11/52/00/388115200.db2.gz FXFZDSNPFXYDOE-XQQFMLRXSA-N 1 3 210.365 2.281 20 0 BEADHO CNC[C@@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000423268778 388047110 /nfs/dbraw/zinc/04/71/10/388047110.db2.gz GKUHXQLXJHQKQB-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453332242 388049093 /nfs/dbraw/zinc/04/90/93/388049093.db2.gz VTNFZKLMTDQAFK-TXTSOVJRSA-N 1 3 222.376 2.415 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453332242 388049096 /nfs/dbraw/zinc/04/90/96/388049096.db2.gz VTNFZKLMTDQAFK-TXTSOVJRSA-N 1 3 222.376 2.415 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324824575 388124801 /nfs/dbraw/zinc/12/48/01/388124801.db2.gz SZEVDBNOFIJYAI-HZSPNIEDSA-N 1 3 222.376 2.425 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324824576 388125052 /nfs/dbraw/zinc/12/50/52/388125052.db2.gz SZEVDBNOFIJYAI-MCIONIFRSA-N 1 3 222.376 2.425 20 0 BEADHO CCN1CC[C@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449089290 388140984 /nfs/dbraw/zinc/14/09/84/388140984.db2.gz JSYONNPVYLXHHP-MRXNPFEDSA-N 1 3 246.398 2.469 20 0 BEADHO CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409439191 256601623 /nfs/dbraw/zinc/60/16/23/256601623.db2.gz QEWCPQVDZXGIBS-HUUCEWRRSA-N 1 3 230.355 2.070 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000451491153 388277516 /nfs/dbraw/zinc/27/75/16/388277516.db2.gz ILQPVIXFVSZTAH-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1C[C@H](OC)C1(C)C ZINC000451491153 388277519 /nfs/dbraw/zinc/27/75/19/388277519.db2.gz ILQPVIXFVSZTAH-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1sccc1C[NH2+]C[C@H](C)CN(C)C ZINC000292996212 388385386 /nfs/dbraw/zinc/38/53/86/388385386.db2.gz OKBWKEFLQDGQHV-JTQLQIEISA-N 1 3 226.389 2.344 20 0 BEADHO CC[NH+]1CCC(NCCOC(C)(C)CC)CC1 ZINC000308552490 388442402 /nfs/dbraw/zinc/44/24/02/388442402.db2.gz ZXLRGZWXHOJMPL-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1cccnc1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000405034075 388450323 /nfs/dbraw/zinc/45/03/23/388450323.db2.gz QHEGYZKHVJBSRS-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccnc1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000405034075 388450325 /nfs/dbraw/zinc/45/03/25/388450325.db2.gz QHEGYZKHVJBSRS-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCCN[C@H]2C)c1 ZINC000335641677 388453008 /nfs/dbraw/zinc/45/30/08/388453008.db2.gz CVLVZRKAYMDAKE-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO CC(C)CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397307828 388458358 /nfs/dbraw/zinc/45/83/58/388458358.db2.gz HPVQPSZYMPRVBA-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397307828 388458360 /nfs/dbraw/zinc/45/83/60/388458360.db2.gz HPVQPSZYMPRVBA-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CCCCCF)C[C@@H]1CN ZINC000397397267 388465814 /nfs/dbraw/zinc/46/58/14/388465814.db2.gz POKCESQEZLGYLH-AGIUHOORSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CCCCCF)C[C@@H]1CN ZINC000397397267 388465817 /nfs/dbraw/zinc/46/58/17/388465817.db2.gz POKCESQEZLGYLH-AGIUHOORSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@H](C)N(CCCCCF)C[C@@H]1C[NH3+] ZINC000397397267 388465819 /nfs/dbraw/zinc/46/58/19/388465819.db2.gz POKCESQEZLGYLH-AGIUHOORSA-N 1 3 230.371 2.431 20 0 BEADHO CCc1cc(NCCN2CC=CCC2)cc[nH+]1 ZINC000307772025 388425718 /nfs/dbraw/zinc/42/57/18/388425718.db2.gz ONNSNUBNWMTJAO-UHFFFAOYSA-N 1 3 231.343 2.318 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000356333472 388548289 /nfs/dbraw/zinc/54/82/89/388548289.db2.gz KYNXDFPWMLXFCU-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000356333472 388548292 /nfs/dbraw/zinc/54/82/92/388548292.db2.gz KYNXDFPWMLXFCU-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CCO)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000397616103 388484614 /nfs/dbraw/zinc/48/46/14/388484614.db2.gz FFVFISZJZVLREW-CQDKDKBSSA-N 1 3 248.370 2.129 20 0 BEADHO CCCC(CCC)[NH2+]CC1(O)CCN(C)CC1 ZINC000341268598 388495167 /nfs/dbraw/zinc/49/51/67/388495167.db2.gz GIDMAVRWOLMUDD-UHFFFAOYSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H]1CC1(C)C ZINC000397789627 388499612 /nfs/dbraw/zinc/49/96/12/388499612.db2.gz KSYJMSKCIOUJTN-SRVKXCTJSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)=CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000397883432 388508261 /nfs/dbraw/zinc/50/82/61/388508261.db2.gz PAENZUPQOJKEAF-OLZOCXBDSA-N 1 3 210.365 2.450 20 0 BEADHO Cc1csc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000344647032 388508727 /nfs/dbraw/zinc/50/87/27/388508727.db2.gz WRUFZZUWJUCIIE-ZYHUDNBSSA-N 1 3 224.373 2.274 20 0 BEADHO CC(C)=CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000397883434 388509026 /nfs/dbraw/zinc/50/90/26/388509026.db2.gz PAENZUPQOJKEAF-QWHCGFSZSA-N 1 3 210.365 2.450 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](CN)C2)C1 ZINC000347093880 388521828 /nfs/dbraw/zinc/52/18/28/388521828.db2.gz GUQGYRUDRCRMGF-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](CN)C2)C1 ZINC000347093880 388521830 /nfs/dbraw/zinc/52/18/30/388521830.db2.gz GUQGYRUDRCRMGF-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO CCSCCN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245445641 388580683 /nfs/dbraw/zinc/58/06/83/388580683.db2.gz ZBRAWCMEJDBGLS-QWHCGFSZSA-N 1 3 244.448 2.402 20 0 BEADHO CCSCCN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245445641 388580685 /nfs/dbraw/zinc/58/06/85/388580685.db2.gz ZBRAWCMEJDBGLS-QWHCGFSZSA-N 1 3 244.448 2.402 20 0 BEADHO CC[C@H]1CC[N@H+](CCCN(CC)CC)C1 ZINC000191806958 388670503 /nfs/dbraw/zinc/67/05/03/388670503.db2.gz DEMSMHYOZLQUGP-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CC[C@H]1CC[N@@H+](CCCN(CC)CC)C1 ZINC000191806958 388670504 /nfs/dbraw/zinc/67/05/04/388670504.db2.gz DEMSMHYOZLQUGP-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CC[C@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000191806958 388670506 /nfs/dbraw/zinc/67/05/06/388670506.db2.gz DEMSMHYOZLQUGP-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@H+](CC)C(C)C ZINC000191777246 388671025 /nfs/dbraw/zinc/67/10/25/388671025.db2.gz ORYDVBGCCXAVHJ-UHFFFAOYSA-N 1 3 200.370 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)C(C)C ZINC000191777246 388671027 /nfs/dbraw/zinc/67/10/27/388671027.db2.gz ORYDVBGCCXAVHJ-UHFFFAOYSA-N 1 3 200.370 2.449 20 0 BEADHO CCN(CCC[NH+](CC)CC)C(C)C ZINC000191777246 388671029 /nfs/dbraw/zinc/67/10/29/388671029.db2.gz ORYDVBGCCXAVHJ-UHFFFAOYSA-N 1 3 200.370 2.449 20 0 BEADHO CC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125895789 388681123 /nfs/dbraw/zinc/68/11/23/388681123.db2.gz ZCIVWZNNYHPMRO-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125896027 388681413 /nfs/dbraw/zinc/68/14/13/388681413.db2.gz ZCIVWZNNYHPMRO-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO CCCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530176693 388621123 /nfs/dbraw/zinc/62/11/23/388621123.db2.gz JWALNLYBTVJDKM-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1CCCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179168 388621681 /nfs/dbraw/zinc/62/16/81/388621681.db2.gz UVYVXXPSBXXJJZ-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530179168 388621684 /nfs/dbraw/zinc/62/16/84/388621684.db2.gz UVYVXXPSBXXJJZ-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CCC[C@H](CC)[NH2+][C@H]1CCNC12CCC2 ZINC000530178055 388621924 /nfs/dbraw/zinc/62/19/24/388621924.db2.gz NYEKFTYTHWFXEE-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530179676 388622390 /nfs/dbraw/zinc/62/23/90/388622390.db2.gz ZUJMZHFLQZCKPP-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530179356 388623257 /nfs/dbraw/zinc/62/32/57/388623257.db2.gz XEDUQMXZMKZMSE-RYUDHWBXSA-N 1 3 210.365 2.295 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CC2CC(C)(C)C2)C1 ZINC000530209321 388627399 /nfs/dbraw/zinc/62/73/99/388627399.db2.gz IWZWHMZYLBSAPM-GFCCVEGCSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530209321 388627400 /nfs/dbraw/zinc/62/74/00/388627400.db2.gz IWZWHMZYLBSAPM-GFCCVEGCSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209321 388627402 /nfs/dbraw/zinc/62/74/02/388627402.db2.gz IWZWHMZYLBSAPM-GFCCVEGCSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCCC1(C)C)C1CNC1 ZINC000530210030 388627616 /nfs/dbraw/zinc/62/76/16/388627616.db2.gz KIJLVLLOFDPYBS-YPMHNXCESA-N 1 3 224.392 2.400 20 0 BEADHO CCC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)OCC ZINC000530212614 388628228 /nfs/dbraw/zinc/62/82/28/388628228.db2.gz RDBPGNMVAGONMS-MJBXVCDLSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)OCC ZINC000530212614 388628232 /nfs/dbraw/zinc/62/82/32/388628232.db2.gz RDBPGNMVAGONMS-MJBXVCDLSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)OCC ZINC000530214337 388629171 /nfs/dbraw/zinc/62/91/71/388629171.db2.gz XXNLDLBVCMBSHV-JHJVBQTASA-N 1 3 228.380 2.051 20 0 BEADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530217700 388630142 /nfs/dbraw/zinc/63/01/42/388630142.db2.gz VRYOIYBVXHVECZ-BFHYXJOUSA-N 1 3 234.387 2.439 20 0 BEADHO CC1(C)CC(CN2CCC(C)([NH3+])CC2)C1 ZINC000530222358 388632849 /nfs/dbraw/zinc/63/28/49/388632849.db2.gz ZPUCGTKQQPFNBW-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CC1(C)CC(CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000530223920 388634448 /nfs/dbraw/zinc/63/44/48/388634448.db2.gz IXZSQOAVQVNLET-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO CC1(C)CC(C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000530225814 388635623 /nfs/dbraw/zinc/63/56/23/388635623.db2.gz NTONHGNNKRROPY-GFCCVEGCSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC1 ZINC000530244975 388639224 /nfs/dbraw/zinc/63/92/24/388639224.db2.gz RLHLYPLSHTUOKB-ZYHUDNBSSA-N 1 3 208.349 2.049 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000250677951 388739452 /nfs/dbraw/zinc/73/94/52/388739452.db2.gz XBZMINNYVZZJGS-OLZOCXBDSA-N 1 3 208.349 2.003 20 0 BEADHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248755677 388693500 /nfs/dbraw/zinc/69/35/00/388693500.db2.gz IONPZCPSSSCTFZ-CVEARBPZSA-N 1 3 244.382 2.446 20 0 BEADHO c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248755677 388693503 /nfs/dbraw/zinc/69/35/03/388693503.db2.gz IONPZCPSSSCTFZ-CVEARBPZSA-N 1 3 244.382 2.446 20 0 BEADHO C[C@H]([N@H+](C)C[C@@H]1CCCNC1)C1(C)CC1 ZINC000226439206 388719859 /nfs/dbraw/zinc/71/98/59/388719859.db2.gz CURNQZUKQFPNCM-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]([N@@H+](C)C[C@@H]1CCCNC1)C1(C)CC1 ZINC000226439206 388719862 /nfs/dbraw/zinc/71/98/62/388719862.db2.gz CURNQZUKQFPNCM-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccsc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000228065861 388767668 /nfs/dbraw/zinc/76/76/68/388767668.db2.gz CDXIMQUNQSOJCG-MNOVXSKESA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000228065861 388767669 /nfs/dbraw/zinc/76/76/69/388767669.db2.gz CDXIMQUNQSOJCG-MNOVXSKESA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000228065861 388767672 /nfs/dbraw/zinc/76/76/72/388767672.db2.gz CDXIMQUNQSOJCG-MNOVXSKESA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000228150088 388770801 /nfs/dbraw/zinc/77/08/01/388770801.db2.gz ZFGHCPBRMVQXCP-QWRGUYRKSA-N 1 3 224.373 2.226 20 0 BEADHO CSCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703048 388772025 /nfs/dbraw/zinc/77/20/25/388772025.db2.gz BVZGTHZHIBGPLJ-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703048 388772026 /nfs/dbraw/zinc/77/20/26/388772026.db2.gz BVZGTHZHIBGPLJ-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252703048 388772028 /nfs/dbraw/zinc/77/20/28/388772028.db2.gz BVZGTHZHIBGPLJ-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000252771846 388782614 /nfs/dbraw/zinc/78/26/14/388782614.db2.gz IOQNHHSXIVDSAY-QPSCCSFWSA-N 1 3 246.354 2.024 20 0 BEADHO CCN1CCC[C@H](C[NH2+]Cc2ccncc2C)C1 ZINC000556155989 388869739 /nfs/dbraw/zinc/86/97/39/388869739.db2.gz WXAYMNNGGWADEI-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000565226873 388929514 /nfs/dbraw/zinc/92/95/14/388929514.db2.gz OSVUKDXUMKVVAC-GHMZBOCLSA-N 1 3 232.318 2.281 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000565226874 388929724 /nfs/dbraw/zinc/92/97/24/388929724.db2.gz OSVUKDXUMKVVAC-MNOVXSKESA-N 1 3 232.318 2.281 20 0 BEADHO CCC(C)(C)[C@@H](C)NC[C@@]1(COC)CCC[NH2+]1 ZINC000566062623 388984447 /nfs/dbraw/zinc/98/44/47/388984447.db2.gz RZWVZGUKXMPBGG-TZMCWYRMSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H](N[C@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400368641 533540924 /nfs/dbraw/zinc/54/09/24/533540924.db2.gz GAMKZSUXASMUTL-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)[C@H]1CCCN1 ZINC000400368641 533540928 /nfs/dbraw/zinc/54/09/28/533540928.db2.gz GAMKZSUXASMUTL-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO CCN1C[C@@H](C)N(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000357701761 132274735 /nfs/dbraw/zinc/27/47/35/132274735.db2.gz XNDFOTDPSARFNU-QWHCGFSZSA-N 1 3 233.359 2.309 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000334317523 132296142 /nfs/dbraw/zinc/29/61/42/132296142.db2.gz VAOUZCKDNVAKTM-IUODEOHRSA-N 1 3 245.370 2.439 20 0 BEADHO CCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960336 132343107 /nfs/dbraw/zinc/34/31/07/132343107.db2.gz MAZYANBTBPQOAU-UHFFFAOYSA-N 1 3 233.359 2.440 20 0 BEADHO c1cc(N2CCC([NH2+]C3CCC3)CC2)ccn1 ZINC000052207810 132362108 /nfs/dbraw/zinc/36/21/08/132362108.db2.gz ILOSXDKJCWFRGK-UHFFFAOYSA-N 1 3 231.343 2.193 20 0 BEADHO CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000336161040 134111208 /nfs/dbraw/zinc/11/12/08/134111208.db2.gz WLWZSFHMBIIMIK-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000336161040 134111209 /nfs/dbraw/zinc/11/12/09/134111209.db2.gz WLWZSFHMBIIMIK-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173871851 134278064 /nfs/dbraw/zinc/27/80/64/134278064.db2.gz LHDCCVOSHJHJBY-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173871851 134278065 /nfs/dbraw/zinc/27/80/65/134278065.db2.gz LHDCCVOSHJHJBY-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO COCCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000178244192 134305335 /nfs/dbraw/zinc/30/53/35/134305335.db2.gz HISJLBWNRKXGEN-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cc(CN[C@H](C)CC[NH3+])ccc1Cl ZINC000220484732 134305358 /nfs/dbraw/zinc/30/53/58/134305358.db2.gz KGLNXMSATDCRQT-SNVBAGLBSA-N 1 3 226.751 2.475 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)C[C@@H](N)CC(C)C ZINC000222339387 134328683 /nfs/dbraw/zinc/32/86/83/134328683.db2.gz INPGAKYWWZJVDG-NEPJUHHUSA-N 1 3 232.437 2.433 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)C[C@@H](N)CC(C)C ZINC000222339387 134328682 /nfs/dbraw/zinc/32/86/82/134328682.db2.gz INPGAKYWWZJVDG-NEPJUHHUSA-N 1 3 232.437 2.433 20 0 BEADHO CSCC[C@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000222338544 134328830 /nfs/dbraw/zinc/32/88/30/134328830.db2.gz SHEVVPZFANWOON-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO CC[C@H](C)C[N@H+](C)CC[C@@H](N)C(C)C ZINC000226431057 134365845 /nfs/dbraw/zinc/36/58/45/134365845.db2.gz YEMUEODYKFDVIA-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO C[C@@H](C[N@H+](C)CCCN)c1ccccc1 ZINC000227742045 134392620 /nfs/dbraw/zinc/39/26/20/134392620.db2.gz LBMIKNACGRZQEA-LBPRGKRZSA-N 1 3 206.333 2.071 20 0 BEADHO C[C@@H](C[N@@H+](C)CCCN)c1ccccc1 ZINC000227742045 134392621 /nfs/dbraw/zinc/39/26/21/134392621.db2.gz LBMIKNACGRZQEA-LBPRGKRZSA-N 1 3 206.333 2.071 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]CCCN1CCCCC1 ZINC000163630523 135022703 /nfs/dbraw/zinc/02/27/03/135022703.db2.gz YPHVMPSRDRPHIK-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1(C)CC1 ZINC000251699888 135074297 /nfs/dbraw/zinc/07/42/97/135074297.db2.gz XFXDIWCKFYAMSY-AVGNSLFASA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000251687354 135074761 /nfs/dbraw/zinc/07/47/61/135074761.db2.gz WFDMGXKNUNUYAG-UHTWSYAYSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000251733692 135075455 /nfs/dbraw/zinc/07/54/55/135075455.db2.gz JACKSXYTNGWUCF-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252175277 135085336 /nfs/dbraw/zinc/08/53/36/135085336.db2.gz OUXRQVDXXIDWEB-MQYQWHSLSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CCCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000252186069 135086572 /nfs/dbraw/zinc/08/65/72/135086572.db2.gz QVQFCDZOIQMHDA-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCCC[N@H+]1C[C@H]1CCCNC1 ZINC000252186069 135086575 /nfs/dbraw/zinc/08/65/75/135086575.db2.gz QVQFCDZOIQMHDA-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000252205671 135086783 /nfs/dbraw/zinc/08/67/83/135086783.db2.gz VBELMGPTCORLOO-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000252205671 135086784 /nfs/dbraw/zinc/08/67/84/135086784.db2.gz VBELMGPTCORLOO-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO Cc1cscc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000087309288 135122007 /nfs/dbraw/zinc/12/20/07/135122007.db2.gz QCAVPNNNLJUQGG-PWSUYJOCSA-N 1 3 224.373 2.274 20 0 BEADHO C(C1CCCC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257703390 135140058 /nfs/dbraw/zinc/14/00/58/135140058.db2.gz QRUQXZVRHHYQEQ-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO C(C1CCCC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257703390 135140059 /nfs/dbraw/zinc/14/00/59/135140059.db2.gz QRUQXZVRHHYQEQ-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO C(C1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257747713 135142012 /nfs/dbraw/zinc/14/20/12/135142012.db2.gz ZXZVCFHIHGTLHG-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCN1 ZINC000261529823 135156802 /nfs/dbraw/zinc/15/68/02/135156802.db2.gz BMAPOBYHKKYUOD-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000261530651 135158161 /nfs/dbraw/zinc/15/81/61/135158161.db2.gz CYYRJSOLBOGOQU-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CC1CCC(C[NH2+]C[C@@H]2CCCNC2)CC1 ZINC000087647176 135160759 /nfs/dbraw/zinc/16/07/59/135160759.db2.gz BADKRDQLPBFRFX-JXQTWKCFSA-N 1 3 224.392 2.402 20 0 BEADHO C[C@H]1CN(C[C@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000261531840 135161774 /nfs/dbraw/zinc/16/17/74/135161774.db2.gz IALMBPNPHJGOON-MROQNXINSA-N 1 3 210.365 2.092 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@H]2C)s1 ZINC000261531942 135162051 /nfs/dbraw/zinc/16/20/51/135162051.db2.gz ILRXSYUARHTXEA-BXKDBHETSA-N 1 3 224.373 2.144 20 0 BEADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@H]2CCSC2)C1 ZINC000261532730 135163349 /nfs/dbraw/zinc/16/33/49/135163349.db2.gz DILAQRVEAXCFPM-CYDGBPFRSA-N 1 3 240.416 2.002 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000261532598 135163360 /nfs/dbraw/zinc/16/33/60/135163360.db2.gz JXNUEOUCORBLLO-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CC1CCC([NH2+][C@H]2CCNC[C@H]2C)CC1 ZINC000261534825 135168265 /nfs/dbraw/zinc/16/82/65/135168265.db2.gz NCCFOCSYULLSJT-KPFVRQRISA-N 1 3 210.365 2.153 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCNC[C@@H]2C)CC1 ZINC000261534831 135168343 /nfs/dbraw/zinc/16/83/43/135168343.db2.gz NCCFOCSYULLSJT-PYNQCMFNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccs1 ZINC000261535067 135168424 /nfs/dbraw/zinc/16/84/24/135168424.db2.gz NRIIARWNIVDMOJ-DCAQKATOSA-N 1 3 224.373 2.397 20 0 BEADHO C[C@H](C1CC1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261534968 135168485 /nfs/dbraw/zinc/16/84/85/135168485.db2.gz UXZYBFWGLBDNEC-NEPJUHHUSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H](C1CC1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261534968 135168486 /nfs/dbraw/zinc/16/84/86/135168486.db2.gz UXZYBFWGLBDNEC-NEPJUHHUSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000261535654 135170698 /nfs/dbraw/zinc/17/06/98/135170698.db2.gz OXJXYFMMSDRMFP-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000261537123 135172999 /nfs/dbraw/zinc/17/29/99/135172999.db2.gz UXMBZFHWTXMKMS-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN1 ZINC000261537123 135173001 /nfs/dbraw/zinc/17/30/01/135173001.db2.gz UXMBZFHWTXMKMS-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000261537167 135174130 /nfs/dbraw/zinc/17/41/30/135174130.db2.gz VBJNUZTYXWOJDD-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000261537909 135175062 /nfs/dbraw/zinc/17/50/62/135175062.db2.gz WQFKQQDPDDADMJ-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)SCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261538718 135176074 /nfs/dbraw/zinc/17/60/74/135176074.db2.gz ZBJRIAHAIQSIKJ-NEPJUHHUSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000261538375 135176634 /nfs/dbraw/zinc/17/66/34/135176634.db2.gz XWGFWHCZJIHZGQ-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538375 135176635 /nfs/dbraw/zinc/17/66/35/135176635.db2.gz XWGFWHCZJIHZGQ-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261539321 135177825 /nfs/dbraw/zinc/17/78/25/135177825.db2.gz CCRCMMGMJILHSB-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261539321 135177826 /nfs/dbraw/zinc/17/78/26/135177826.db2.gz CCRCMMGMJILHSB-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(OC)cc1 ZINC000261542175 135182723 /nfs/dbraw/zinc/18/27/23/135182723.db2.gz BXQPYVPLYMSERC-SUNKGSAMSA-N 1 3 236.359 2.472 20 0 BEADHO CC[N@H+](C[C@@H]1C[C@@H]1C)[C@H]1CCCNCC1 ZINC000261542622 135183036 /nfs/dbraw/zinc/18/30/36/135183036.db2.gz GZMNZXBCCRRDJE-AVGNSLFASA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CCCNCC1 ZINC000261542622 135183037 /nfs/dbraw/zinc/18/30/37/135183037.db2.gz GZMNZXBCCRRDJE-AVGNSLFASA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@H+](C[C@@H]1C[C@H]1C)[C@H]1CCCNCC1 ZINC000261542621 135183073 /nfs/dbraw/zinc/18/30/73/135183073.db2.gz GZMNZXBCCRRDJE-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO CC[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CCCNCC1 ZINC000261542621 135183074 /nfs/dbraw/zinc/18/30/74/135183074.db2.gz GZMNZXBCCRRDJE-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)C(C)(C)C1 ZINC000261549144 135187541 /nfs/dbraw/zinc/18/75/41/135187541.db2.gz OGHKUTZUFXUHPX-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)C(C)(C)C1 ZINC000261549144 135187543 /nfs/dbraw/zinc/18/75/43/135187543.db2.gz OGHKUTZUFXUHPX-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCNCC1(C)C ZINC000261549527 135188502 /nfs/dbraw/zinc/18/85/02/135188502.db2.gz KKMJLPMQXJPMGF-CQSZACIVSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H]1[C@H]([NH3+])CCN1c1ccnc2ccccc21 ZINC000261556766 135197265 /nfs/dbraw/zinc/19/72/65/135197265.db2.gz RAJLZYZSAUFQMG-CMPLNLGQSA-N 1 3 227.311 2.161 20 0 BEADHO C1CC2CCC1C[C@H]2[NH2+][C@@H]1CCCNCC1 ZINC000261558906 135199382 /nfs/dbraw/zinc/19/93/82/135199382.db2.gz YQCDSFYXNNVSEG-NWINJMCUSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C ZINC000261562834 135204726 /nfs/dbraw/zinc/20/47/26/135204726.db2.gz BQJMWPCPNFEZPE-RQJABVFESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C ZINC000261562835 135204801 /nfs/dbraw/zinc/20/48/01/135204801.db2.gz BQJMWPCPNFEZPE-SYQHCUMBSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cc(C[NH2+]CC2(N)CCC2)c(C)s1 ZINC000261568411 135210798 /nfs/dbraw/zinc/21/07/98/135210798.db2.gz FOEVAAABDIKWQA-UHFFFAOYSA-N 1 3 224.373 2.336 20 0 BEADHO NC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000084329933 135211760 /nfs/dbraw/zinc/21/17/60/135211760.db2.gz HOIPREYUBPDENA-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329933 135211762 /nfs/dbraw/zinc/21/17/62/135211762.db2.gz HOIPREYUBPDENA-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N)[C@@H]2C)c1 ZINC000261570705 135213259 /nfs/dbraw/zinc/21/32/59/135213259.db2.gz HCOYWZSBPURHKL-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N)[C@@H]2C)c1 ZINC000261570705 135213261 /nfs/dbraw/zinc/21/32/61/135213261.db2.gz HCOYWZSBPURHKL-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)N[C@H](C)[C@H](C)[NH3+] ZINC000261572841 135214596 /nfs/dbraw/zinc/21/45/96/135214596.db2.gz IJKRPGZGKQCBNE-OUAUKWLOSA-N 1 3 224.323 2.082 20 0 BEADHO Cc1ccsc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261575053 135216761 /nfs/dbraw/zinc/21/67/61/135216761.db2.gz JOKGIOXCQFFCGS-QJPTWQEYSA-N 1 3 236.384 2.226 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C[C@@H](C)C1 ZINC000261576032 135217492 /nfs/dbraw/zinc/21/74/92/135217492.db2.gz KBEUSITWVORGFM-VJTDZRGJSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000261579862 135220482 /nfs/dbraw/zinc/22/04/82/135220482.db2.gz MMOFBQOOYKBZPI-ZUWCUPBKSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581613 135222146 /nfs/dbraw/zinc/22/21/46/135222146.db2.gz QUQXQJTYSSOGPQ-GOEBONIOSA-N 1 3 244.382 2.476 20 0 BEADHO C[C@H](CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000261581334 135222226 /nfs/dbraw/zinc/22/22/26/135222226.db2.gz QPBQNOXPLLRNRL-FVQBIDKESA-N 1 3 244.382 2.331 20 0 BEADHO C[C@H](CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581612 135222617 /nfs/dbraw/zinc/22/26/17/135222617.db2.gz QUQXQJTYSSOGPQ-GDBMZVCRSA-N 1 3 244.382 2.476 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261583184 135224201 /nfs/dbraw/zinc/22/42/01/135224201.db2.gz RQZSOLQXXCRMCT-ARFHVFGLSA-N 1 3 244.382 2.473 20 0 BEADHO Cc1cc(F)ccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261585271 135226291 /nfs/dbraw/zinc/22/62/91/135226291.db2.gz SYCOEISHVRGNQR-NWANDNLSSA-N 1 3 248.345 2.303 20 0 BEADHO CC1(C)CCC(C[N@@H+]2CC[C@@H](CN)C2)CC1 ZINC000261587324 135228221 /nfs/dbraw/zinc/22/82/21/135228221.db2.gz RSPDCSOJTKFLEF-ZDUSSCGKSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC(C[N@H+]2CC[C@@H](CN)C2)CC1 ZINC000261587324 135228223 /nfs/dbraw/zinc/22/82/23/135228223.db2.gz RSPDCSOJTKFLEF-ZDUSSCGKSA-N 1 3 224.392 2.483 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCC2CCCC2)C1 ZINC000261587661 135228307 /nfs/dbraw/zinc/22/83/07/135228307.db2.gz RXSJOIAOGBJNGT-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000261587661 135228309 /nfs/dbraw/zinc/22/83/09/135228309.db2.gz RXSJOIAOGBJNGT-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261587661 135228310 /nfs/dbraw/zinc/22/83/10/135228310.db2.gz RXSJOIAOGBJNGT-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO COc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)ccc1C ZINC000261787635 135252775 /nfs/dbraw/zinc/25/27/75/135252775.db2.gz FYYJGFKQUCXKPM-TZMCWYRMSA-N 1 3 248.370 2.173 20 0 BEADHO CC(C)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261984042 135269962 /nfs/dbraw/zinc/26/99/62/135269962.db2.gz JMJBEQXJISNDLP-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC[N@H+](C[C@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261995542 135270900 /nfs/dbraw/zinc/27/09/00/135270900.db2.gz SULOQBLFOQKYPQ-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CC[N@@H+](C[C@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261995542 135270901 /nfs/dbraw/zinc/27/09/01/135270901.db2.gz SULOQBLFOQKYPQ-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262149960 135282277 /nfs/dbraw/zinc/28/22/77/135282277.db2.gz ZVCRQDHQDAAVBI-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000335044965 135872322 /nfs/dbraw/zinc/87/23/22/135872322.db2.gz WGHMGVNDCZFNHY-FUNVUKJBSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000335356516 136062099 /nfs/dbraw/zinc/06/20/99/136062099.db2.gz DKUGESOVWICPHD-SWLSCSKDSA-N 1 3 247.386 2.007 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335356516 136062100 /nfs/dbraw/zinc/06/21/00/136062100.db2.gz DKUGESOVWICPHD-SWLSCSKDSA-N 1 3 247.386 2.007 20 0 BEADHO FC1(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000348336939 136075629 /nfs/dbraw/zinc/07/56/29/136075629.db2.gz SPPNAIRNRHNKEM-CHWSQXEVSA-N 1 3 240.366 2.485 20 0 BEADHO FC1(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000348336939 136075630 /nfs/dbraw/zinc/07/56/30/136075630.db2.gz SPPNAIRNRHNKEM-CHWSQXEVSA-N 1 3 240.366 2.485 20 0 BEADHO CCOC[C@H]([NH2+]CC[C@H]1CCCN1C)C(C)C ZINC000348481044 136080156 /nfs/dbraw/zinc/08/01/56/136080156.db2.gz SXWCOHUZHMGNOO-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@H](NCC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000348481044 136080157 /nfs/dbraw/zinc/08/01/57/136080157.db2.gz SXWCOHUZHMGNOO-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@H](NCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000348481044 136080158 /nfs/dbraw/zinc/08/01/58/136080158.db2.gz SXWCOHUZHMGNOO-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@@H](N)C1(C)C)c1ccccc1 ZINC000404806259 397734468 /nfs/dbraw/zinc/73/44/68/397734468.db2.gz YNXQUBXJMXKOQW-UHTWSYAYSA-N 1 3 218.344 2.463 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCCO1 ZINC000383087827 397998773 /nfs/dbraw/zinc/99/87/73/397998773.db2.gz KPPLKLDYCSGGMG-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000383087827 397998776 /nfs/dbraw/zinc/99/87/76/397998776.db2.gz KPPLKLDYCSGGMG-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccc(F)cc1 ZINC000414829691 398050283 /nfs/dbraw/zinc/05/02/83/398050283.db2.gz BHYOYGSMQPJXRL-NEPJUHHUSA-N 1 3 238.350 2.202 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414829691 398050289 /nfs/dbraw/zinc/05/02/89/398050289.db2.gz BHYOYGSMQPJXRL-NEPJUHHUSA-N 1 3 238.350 2.202 20 0 BEADHO CC(C)N(C)CCC[NH2+]CCC1CCOCC1 ZINC000383687194 398034556 /nfs/dbraw/zinc/03/45/56/398034556.db2.gz SCCRAVWAWBRHKK-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414857722 398065862 /nfs/dbraw/zinc/06/58/62/398065862.db2.gz FLGDADSHCRXJKL-LBPRGKRZSA-N 1 3 228.380 2.053 20 0 BEADHO C[C@H](Cc1cccs1)NCC(C)(C)[NH3+] ZINC000389332742 398076364 /nfs/dbraw/zinc/07/63/64/398076364.db2.gz VOWPWKJFHOFUGY-SECBINFHSA-N 1 3 212.362 2.006 20 0 BEADHO Cc1ccc(C[NH2+]CC2(N)CCC2)c(C)c1 ZINC000414884948 398080799 /nfs/dbraw/zinc/08/07/99/398080799.db2.gz OOXRDEJRUVTRTQ-UHFFFAOYSA-N 1 3 218.344 2.274 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414850663 398058117 /nfs/dbraw/zinc/05/81/17/398058117.db2.gz ZRCNABHJIVZELA-KBPBESRZSA-N 1 3 234.387 2.310 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449089321 398058409 /nfs/dbraw/zinc/05/84/09/398058409.db2.gz JWELQWYAMXSTDC-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449089321 398058414 /nfs/dbraw/zinc/05/84/14/398058414.db2.gz JWELQWYAMXSTDC-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449089321 398058419 /nfs/dbraw/zinc/05/84/19/398058419.db2.gz JWELQWYAMXSTDC-OCCSQVGLSA-N 1 3 236.359 2.142 20 0 BEADHO CC(C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000037786339 167002365 /nfs/dbraw/zinc/00/23/65/167002365.db2.gz PGVDVUVZSMCGBM-UHFFFAOYSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000398111061 322864217 /nfs/dbraw/zinc/86/42/17/322864217.db2.gz XETCOIZCYZINFU-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](c1ccccn1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001647978159 1172785157 /nfs/dbraw/zinc/78/51/57/1172785157.db2.gz YNZAYMWZQSUWNM-MJBXVCDLSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H](c1ccccn1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001647978159 1172785162 /nfs/dbraw/zinc/78/51/62/1172785162.db2.gz YNZAYMWZQSUWNM-MJBXVCDLSA-N 1 3 245.370 2.026 20 0 BEADHO CNCCC[N@H+](C)C[C@H](C)CC(C)C ZINC000300853043 173346443 /nfs/dbraw/zinc/34/64/43/173346443.db2.gz FOFNWCRBMMIDRO-GFCCVEGCSA-N 1 3 200.370 2.210 20 0 BEADHO CNCCC[N@@H+](C)C[C@H](C)CC(C)C ZINC000300853043 173346445 /nfs/dbraw/zinc/34/64/45/173346445.db2.gz FOFNWCRBMMIDRO-GFCCVEGCSA-N 1 3 200.370 2.210 20 0 BEADHO Cc1cc(F)ccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334843089 487569939 /nfs/dbraw/zinc/56/99/39/487569939.db2.gz BGMFTFAXTLQPJN-ZIAGYGMSSA-N 1 3 236.334 2.494 20 0 BEADHO CC(C)OCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000365402015 167211150 /nfs/dbraw/zinc/21/11/50/167211150.db2.gz IJHXWXXPGJHLTB-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365402015 167211154 /nfs/dbraw/zinc/21/11/54/167211154.db2.gz IJHXWXXPGJHLTB-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365402015 167211158 /nfs/dbraw/zinc/21/11/58/167211158.db2.gz IJHXWXXPGJHLTB-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CS[C@H](C)C1 ZINC000086934274 487589343 /nfs/dbraw/zinc/58/93/43/487589343.db2.gz VCPYSZORGYMAER-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000086934274 487589350 /nfs/dbraw/zinc/58/93/50/487589350.db2.gz VCPYSZORGYMAER-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCCN ZINC000162599188 487591405 /nfs/dbraw/zinc/59/14/05/487591405.db2.gz LCBDFTVEUUQATM-NSHDSACASA-N 1 3 224.323 2.037 20 0 BEADHO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCCN ZINC000162599188 487591407 /nfs/dbraw/zinc/59/14/07/487591407.db2.gz LCBDFTVEUUQATM-NSHDSACASA-N 1 3 224.323 2.037 20 0 BEADHO Cc1cc(C)c(CNCCC[NH3+])c(C)c1 ZINC000037713089 487600068 /nfs/dbraw/zinc/60/00/68/487600068.db2.gz ADLGJCPVQNEJIK-UHFFFAOYSA-N 1 3 206.333 2.050 20 0 BEADHO CC(C)SCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336667913 167324484 /nfs/dbraw/zinc/32/44/84/167324484.db2.gz PRHKWWLWECCHJF-ZDUSSCGKSA-N 1 3 244.448 2.402 20 0 BEADHO CC(C)SCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336667913 167324487 /nfs/dbraw/zinc/32/44/87/167324487.db2.gz PRHKWWLWECCHJF-ZDUSSCGKSA-N 1 3 244.448 2.402 20 0 BEADHO CO[C@H](CN1CCC([NH3+])CC1)C1CCCCC1 ZINC000662241285 409529785 /nfs/dbraw/zinc/52/97/85/409529785.db2.gz RSMGBSPDTKQBGL-CQSZACIVSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662244510 409533404 /nfs/dbraw/zinc/53/34/04/409533404.db2.gz HUDMYJSGVJZGNW-YPMHNXCESA-N 1 3 208.349 2.012 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244510 409533409 /nfs/dbraw/zinc/53/34/09/409533409.db2.gz HUDMYJSGVJZGNW-YPMHNXCESA-N 1 3 208.349 2.012 20 0 BEADHO NC[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246136 409541324 /nfs/dbraw/zinc/54/13/24/409541324.db2.gz PUWOFEAAWOKKDJ-HIFRSBDPSA-N 1 3 244.382 2.387 20 0 BEADHO NC[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246136 409541329 /nfs/dbraw/zinc/54/13/29/409541329.db2.gz PUWOFEAAWOKKDJ-HIFRSBDPSA-N 1 3 244.382 2.387 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662318398 409637411 /nfs/dbraw/zinc/63/74/11/409637411.db2.gz ZQUHWOWGAVSRIQ-HIFRSBDPSA-N 1 3 236.403 2.498 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662318398 409637419 /nfs/dbraw/zinc/63/74/19/409637419.db2.gz ZQUHWOWGAVSRIQ-HIFRSBDPSA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@](C)(CN)C1 ZINC000662272868 409577518 /nfs/dbraw/zinc/57/75/18/409577518.db2.gz JNKHIPRRSUWAOL-CMPLNLGQSA-N 1 3 234.334 2.339 20 0 BEADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@](C)(CN)C1 ZINC000662272868 409577528 /nfs/dbraw/zinc/57/75/28/409577528.db2.gz JNKHIPRRSUWAOL-CMPLNLGQSA-N 1 3 234.334 2.339 20 0 BEADHO C[N@H+](CC1CCCC1)[C@H]1CCCNCC1 ZINC000082666927 409849002 /nfs/dbraw/zinc/84/90/02/409849002.db2.gz VOOIBAXPYDGMOR-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](CC1CCCC1)[C@H]1CCCNCC1 ZINC000082666927 409849005 /nfs/dbraw/zinc/84/90/05/409849005.db2.gz VOOIBAXPYDGMOR-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCC[C@@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000663501532 410278717 /nfs/dbraw/zinc/27/87/17/410278717.db2.gz XJXPHQPFQHGPPL-MRFVTOPCSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H]1CCC[C@@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC000663501532 410278722 /nfs/dbraw/zinc/27/87/22/410278722.db2.gz XJXPHQPFQHGPPL-MRFVTOPCSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1C[C@@H]1CNCc1ccc(C[NH3+])cc1F ZINC000650717070 410355262 /nfs/dbraw/zinc/35/52/62/410355262.db2.gz QZSVQCSUMACINP-BXKDBHETSA-N 1 3 222.307 2.030 20 0 BEADHO N[C@@H](C[NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000650703671 410332954 /nfs/dbraw/zinc/33/29/54/410332954.db2.gz LCLCZVZLVUEGJG-HNNXBMFYSA-N 1 3 230.355 2.002 20 0 BEADHO c1cc2c(c(CN[C@@H]3CCC[NH2+]CC3)c1)CCC2 ZINC000650703691 410334980 /nfs/dbraw/zinc/33/49/80/410334980.db2.gz LYUHYCVPYPGYRZ-OAHLLOKOSA-N 1 3 244.382 2.407 20 0 BEADHO c1cc2c(c(CN[C@H]3CCC[NH2+]CC3)c1)CCC2 ZINC000650703690 410336742 /nfs/dbraw/zinc/33/67/42/410336742.db2.gz LYUHYCVPYPGYRZ-HNNXBMFYSA-N 1 3 244.382 2.407 20 0 BEADHO C[C@@H]1CN(Cc2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000650703248 410336936 /nfs/dbraw/zinc/33/69/36/410336936.db2.gz QYZUBTWLWWUKFV-WBMJQRKESA-N 1 3 244.382 2.344 20 0 BEADHO CC[C@@H](OCCNCCC[NH3+])c1ccccc1 ZINC000650710366 410340265 /nfs/dbraw/zinc/34/02/65/410340265.db2.gz NTYAYDQCNRZOAW-CQSZACIVSA-N 1 3 236.359 2.093 20 0 BEADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccco1 ZINC000650743035 410378751 /nfs/dbraw/zinc/37/87/51/410378751.db2.gz KVWAIMWGKPFLTD-JTQLQIEISA-N 1 3 208.305 2.059 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCSC2)CC1 ZINC000037786314 166609624 /nfs/dbraw/zinc/60/96/24/166609624.db2.gz HHRRTRSDTTWQBT-GFCCVEGCSA-N 1 3 242.432 2.344 20 0 BEADHO CC[C@H](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665237982 410730558 /nfs/dbraw/zinc/73/05/58/410730558.db2.gz OAROAMBFAHULAA-ACJTYDJDSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC000393768389 410759519 /nfs/dbraw/zinc/75/95/19/410759519.db2.gz IDBVNVTVKPWHIT-JSGCOSHPSA-N 1 3 222.376 2.237 20 0 BEADHO CC1(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC000393768389 410759524 /nfs/dbraw/zinc/75/95/24/410759524.db2.gz IDBVNVTVKPWHIT-JSGCOSHPSA-N 1 3 222.376 2.237 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)CN(C)C ZINC000308879792 410784607 /nfs/dbraw/zinc/78/46/07/410784607.db2.gz DUAHRNUVFZEMOQ-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1CCCF ZINC000665297882 410824736 /nfs/dbraw/zinc/82/47/36/410824736.db2.gz NKUWJERLURFHND-QJPTWQEYSA-N 1 3 216.344 2.102 20 0 BEADHO CC(C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000037480275 167102082 /nfs/dbraw/zinc/10/20/82/167102082.db2.gz AWKYYQYWSFEXRM-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)OC[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000337348894 167263791 /nfs/dbraw/zinc/26/37/91/167263791.db2.gz ZOUZMSAHCWZVNO-ZDUSSCGKSA-N 1 3 242.407 2.262 20 0 BEADHO CN(CCC(C)(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000399794553 411065604 /nfs/dbraw/zinc/06/56/04/411065604.db2.gz VSSFUSIHUKQOGK-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H](CCN(C)C)[NH2+]Cc1cc2cnccc2o1 ZINC000651694291 411136593 /nfs/dbraw/zinc/13/65/93/411136593.db2.gz YBIHSEFQYPOECO-NSHDSACASA-N 1 3 247.342 2.258 20 0 BEADHO CCSCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397298430 411143327 /nfs/dbraw/zinc/14/33/27/411143327.db2.gz CLOHBHRCMMEOEC-UTUOFQBUSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397298430 411143328 /nfs/dbraw/zinc/14/33/28/411143328.db2.gz CLOHBHRCMMEOEC-UTUOFQBUSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397298430 411143329 /nfs/dbraw/zinc/14/33/29/411143329.db2.gz CLOHBHRCMMEOEC-UTUOFQBUSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000651865871 411147710 /nfs/dbraw/zinc/14/77/10/411147710.db2.gz KQLCMTSALPHJOK-STQMWFEESA-N 1 3 212.381 2.210 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H](C)C1CC1 ZINC000651865838 411147953 /nfs/dbraw/zinc/14/79/53/411147953.db2.gz JHYCUFAFQDGMKL-LBPRGKRZSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000651864702 411148124 /nfs/dbraw/zinc/14/81/24/411148124.db2.gz BCUGSUZRCUOKDO-HZSPNIEDSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H](C)C1CC1 ZINC000651865837 411148133 /nfs/dbraw/zinc/14/81/33/411148133.db2.gz JHYCUFAFQDGMKL-GFCCVEGCSA-N 1 3 212.381 2.352 20 0 BEADHO CC1(N)CC[NH+](CC2CCCCC2)CC1 ZINC000309384836 411120759 /nfs/dbraw/zinc/12/07/59/411120759.db2.gz DYCVKFDEUHXAGO-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO CC1([NH3+])CCN(CC2CCCCC2)CC1 ZINC000309384836 411120763 /nfs/dbraw/zinc/12/07/63/411120763.db2.gz DYCVKFDEUHXAGO-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO COC[C@@H](CC(C)(C)C)NC[C@H]([NH3+])CC(C)C ZINC000656193903 411199384 /nfs/dbraw/zinc/19/93/84/411199384.db2.gz XQGRBDAGEUXLOL-CHWSQXEVSA-N 1 3 244.423 2.401 20 0 BEADHO C[C@H](Cc1ccccn1)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000656193320 411200765 /nfs/dbraw/zinc/20/07/65/411200765.db2.gz GCGODLMABMJLTI-VNHYZAJKSA-N 1 3 247.386 2.133 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCOCC1 ZINC000656197068 411201688 /nfs/dbraw/zinc/20/16/88/411201688.db2.gz BBEPFJGDOUUTOT-MJBXVCDLSA-N 1 3 240.391 2.051 20 0 BEADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000656198664 411203100 /nfs/dbraw/zinc/20/31/00/411203100.db2.gz BVIUKVDUMYHSMH-YIFLHPOLSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccncc1 ZINC000656197195 411203160 /nfs/dbraw/zinc/20/31/60/411203160.db2.gz MSSTVDNJGTXELP-MRVWCRGKSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000656197195 411203161 /nfs/dbraw/zinc/20/31/61/411203161.db2.gz MSSTVDNJGTXELP-MRVWCRGKSA-N 1 3 233.359 2.045 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000652343454 411208189 /nfs/dbraw/zinc/20/81/89/411208189.db2.gz CAILQHPOIBSEGB-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000652343454 411208190 /nfs/dbraw/zinc/20/81/90/411208190.db2.gz CAILQHPOIBSEGB-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)OCCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355012 411215531 /nfs/dbraw/zinc/21/55/31/411215531.db2.gz MRFVCJVZZFABEV-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355012 411215535 /nfs/dbraw/zinc/21/55/35/411215535.db2.gz MRFVCJVZZFABEV-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355012 411215539 /nfs/dbraw/zinc/21/55/39/411215539.db2.gz MRFVCJVZZFABEV-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000310129690 411216657 /nfs/dbraw/zinc/21/66/57/411216657.db2.gz AABBQKYUVTZBIO-AEGPPILISA-N 1 3 236.403 2.354 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CNC1 ZINC000423307027 411238588 /nfs/dbraw/zinc/23/85/88/411238588.db2.gz UZKLMJWBWFGPAN-QWHCGFSZSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](c1ccncc1)N1CCC(CC[NH3+])CC1 ZINC000070183651 411240248 /nfs/dbraw/zinc/24/02/48/411240248.db2.gz SVICAVLZDDEAII-LBPRGKRZSA-N 1 3 233.359 2.203 20 0 BEADHO C[C@@H]1C[NH2+]C[C@@H](NCC2CCCCC2)C1 ZINC000401784570 411330905 /nfs/dbraw/zinc/33/09/05/411330905.db2.gz YWAIDSPSSYKKGM-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CC1CCCC1)C2 ZINC000309411638 411306896 /nfs/dbraw/zinc/30/68/96/411306896.db2.gz GFCLDGVTJNZSPP-KBPBESRZSA-N 1 3 222.376 2.237 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC000309411638 411306897 /nfs/dbraw/zinc/30/68/97/411306897.db2.gz GFCLDGVTJNZSPP-KBPBESRZSA-N 1 3 222.376 2.237 20 0 BEADHO FCC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000656791847 411372899 /nfs/dbraw/zinc/37/28/99/411372899.db2.gz KYDWZDWLNSXXME-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000656791847 411372901 /nfs/dbraw/zinc/37/29/01/411372901.db2.gz KYDWZDWLNSXXME-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000656791847 411372905 /nfs/dbraw/zinc/37/29/05/411372905.db2.gz KYDWZDWLNSXXME-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](C)c1ccccn1 ZINC000656782019 411360132 /nfs/dbraw/zinc/36/01/32/411360132.db2.gz CQPFEEXOGQDTOR-MCIONIFRSA-N 1 3 247.386 2.305 20 0 BEADHO Cc1ccccc1C[NH2+]CC1(N)CCCC1 ZINC000656788089 411368147 /nfs/dbraw/zinc/36/81/47/411368147.db2.gz BDYALYOHNOLLLE-UHFFFAOYSA-N 1 3 218.344 2.356 20 0 BEADHO CC1(C)CC[N@H+](CCCN)CC(C)(C)C1 ZINC000656790740 411370993 /nfs/dbraw/zinc/37/09/93/411370993.db2.gz MRUOMLVKZHEJSB-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO CC1(C)CC[N@@H+](CCCN)CC(C)(C)C1 ZINC000656790740 411370995 /nfs/dbraw/zinc/37/09/95/411370995.db2.gz MRUOMLVKZHEJSB-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO COc1cccc([C@]2(C)CCN(CCC[NH3+])C2)c1 ZINC000656791421 411371265 /nfs/dbraw/zinc/37/12/65/411371265.db2.gz GACHHSWXKYBLAA-OAHLLOKOSA-N 1 3 248.370 2.007 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403423587 411345391 /nfs/dbraw/zinc/34/53/91/411345391.db2.gz WQPFKCGNXXQKDQ-YHQUGGNUSA-N 1 3 222.376 2.282 20 0 BEADHO CC1(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000336744138 168022174 /nfs/dbraw/zinc/02/21/74/168022174.db2.gz PVEDFGALRKHUCT-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000336744138 168022178 /nfs/dbraw/zinc/02/21/78/168022178.db2.gz PVEDFGALRKHUCT-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336744138 168022182 /nfs/dbraw/zinc/02/21/82/168022182.db2.gz PVEDFGALRKHUCT-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CC1CCC([N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000042488229 168158300 /nfs/dbraw/zinc/15/83/00/168158300.db2.gz ZWLVDNURTGPVTO-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO CC1CCC([N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000042488229 168158301 /nfs/dbraw/zinc/15/83/01/168158301.db2.gz ZWLVDNURTGPVTO-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1cccnc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404286481 411388642 /nfs/dbraw/zinc/38/86/42/411388642.db2.gz IFRGYDIYQKEJGH-ZFWWWQNUSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@H](CCc1ccccc1F)[NH2+]CC[C@H](C)N ZINC000414823049 411448552 /nfs/dbraw/zinc/44/85/52/411448552.db2.gz OCVJSKPGTWPYFB-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](CCc1ccccc1F)NCC[C@H](C)[NH3+] ZINC000414823049 411448555 /nfs/dbraw/zinc/44/85/55/411448555.db2.gz OCVJSKPGTWPYFB-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccccc1F ZINC000414823051 411448834 /nfs/dbraw/zinc/44/88/34/411448834.db2.gz OCVJSKPGTWPYFB-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccccc1F ZINC000414823051 411448836 /nfs/dbraw/zinc/44/88/36/411448836.db2.gz OCVJSKPGTWPYFB-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO CCC[NH+]1CCC(N[C@H]2CO[C@H](CC)C2)CC1 ZINC000657294024 411450725 /nfs/dbraw/zinc/45/07/25/411450725.db2.gz AHVGVGGPEYOXSV-ZIAGYGMSSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)CO1 ZINC000657296470 411454173 /nfs/dbraw/zinc/45/41/73/411454173.db2.gz VCQAYWBDWOLURM-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC000660415696 411489304 /nfs/dbraw/zinc/48/93/04/411489304.db2.gz IAZCUIFDEUOELQ-HNNXBMFYSA-N 1 3 247.386 2.185 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC000660415696 411489306 /nfs/dbraw/zinc/48/93/06/411489306.db2.gz IAZCUIFDEUOELQ-HNNXBMFYSA-N 1 3 247.386 2.185 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000659927376 411500648 /nfs/dbraw/zinc/50/06/48/411500648.db2.gz QDFDQBYIIFWQOO-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN1CC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000037644339 170015041 /nfs/dbraw/zinc/01/50/41/170015041.db2.gz GEFJXUDRFAQSQY-CYBMUJFWSA-N 1 3 244.382 2.085 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC000249379253 170016457 /nfs/dbraw/zinc/01/64/57/170016457.db2.gz OJIFYRBJJVRVRB-CHWSQXEVSA-N 1 3 233.359 2.074 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000249374139 170016650 /nfs/dbraw/zinc/01/66/50/170016650.db2.gz HHPYPQBUVMMREZ-CHWSQXEVSA-N 1 3 233.359 2.074 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCCF)C[C@H]1C ZINC000361531315 170018798 /nfs/dbraw/zinc/01/87/98/170018798.db2.gz QMBOCIBSSPMMAH-NEPJUHHUSA-N 1 3 216.344 2.151 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCCF)C[C@H]1C ZINC000361531315 170018799 /nfs/dbraw/zinc/01/87/99/170018799.db2.gz QMBOCIBSSPMMAH-NEPJUHHUSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663346265 411634229 /nfs/dbraw/zinc/63/42/29/411634229.db2.gz RUJBOCFBQVTNAD-OCCSQVGLSA-N 1 3 236.403 2.497 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657818671 411605985 /nfs/dbraw/zinc/60/59/85/411605985.db2.gz WSVJIVGSAPVBBB-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO CCC1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663497115 411674839 /nfs/dbraw/zinc/67/48/39/411674839.db2.gz BYOVPAQMBMKDRP-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO CCC1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497115 411674843 /nfs/dbraw/zinc/67/48/43/411674843.db2.gz BYOVPAQMBMKDRP-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+]CC12CC(C1)CN2 ZINC000663497590 411679560 /nfs/dbraw/zinc/67/95/60/411679560.db2.gz HTFNFLVERWUXNM-IDKOKCKLSA-N 1 3 236.281 2.059 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)[C@H]1C ZINC000663497078 411679869 /nfs/dbraw/zinc/67/98/69/411679869.db2.gz BDMVKBJVQPCNAQ-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)[C@H]1C ZINC000663497078 411679872 /nfs/dbraw/zinc/67/98/72/411679872.db2.gz BDMVKBJVQPCNAQ-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)CN3)C[C@@H]1C ZINC000663498140 411680784 /nfs/dbraw/zinc/68/07/84/411680784.db2.gz MHYQOJRPTLDHSS-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000663498140 411680788 /nfs/dbraw/zinc/68/07/88/411680788.db2.gz MHYQOJRPTLDHSS-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC23CC(C2)CN3)C[C@@H](C)C1 ZINC000663498336 411681750 /nfs/dbraw/zinc/68/17/50/411681750.db2.gz OURDELYRLSLSEO-KWPGZKHISA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)C[C@@H](C)C1 ZINC000663498336 411681754 /nfs/dbraw/zinc/68/17/54/411681754.db2.gz OURDELYRLSLSEO-KWPGZKHISA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000663500372 411682990 /nfs/dbraw/zinc/68/29/90/411682990.db2.gz QKIBUJUTZXLMPU-VXGBXAGGSA-N 1 3 200.370 2.384 20 0 BEADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)C(C)(C)C ZINC000663501493 411686203 /nfs/dbraw/zinc/68/62/03/411686203.db2.gz WMSCHKBDXFZGSX-ZBOXLXRLSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](CNCC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000663501493 411686207 /nfs/dbraw/zinc/68/62/07/411686207.db2.gz WMSCHKBDXFZGSX-ZBOXLXRLSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@@H]1CCC[C@H](CN[C@@H](C)C[NH2+]C)C1 ZINC000663509431 411689924 /nfs/dbraw/zinc/68/99/24/411689924.db2.gz KJZZZCXZHMZLNL-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)NC1CCC(C(C)C)CC1 ZINC000663508523 411689976 /nfs/dbraw/zinc/68/99/76/411689976.db2.gz CCKJRYMSBFYDQD-PNESKVBLSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H](C[NH2+]C)C1 ZINC000662244105 412038956 /nfs/dbraw/zinc/03/89/56/412038956.db2.gz BUEQYIWFVWSILS-GHMZBOCLSA-N 1 3 234.334 2.209 20 0 BEADHO CN(CCC[NH3+])CC[C@@H]1CCc2ccccc21 ZINC000662247467 412045321 /nfs/dbraw/zinc/04/53/21/412045321.db2.gz ZGIPODSWMJCCGY-AWEZNQCLSA-N 1 3 232.371 2.387 20 0 BEADHO C[N@H+](CCCN)CC[C@@H]1CCc2ccccc21 ZINC000662247467 412045325 /nfs/dbraw/zinc/04/53/25/412045325.db2.gz ZGIPODSWMJCCGY-AWEZNQCLSA-N 1 3 232.371 2.387 20 0 BEADHO C[N@@H+](CCCN)CC[C@@H]1CCc2ccccc21 ZINC000662247467 412045330 /nfs/dbraw/zinc/04/53/30/412045330.db2.gz ZGIPODSWMJCCGY-AWEZNQCLSA-N 1 3 232.371 2.387 20 0 BEADHO CC(C)[C@H](N)CC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248015 412047708 /nfs/dbraw/zinc/04/77/08/412047708.db2.gz QWTGXOVNRDPFHI-XJFOESAGSA-N 1 3 224.392 2.338 20 0 BEADHO CC(C)[C@H](N)CC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248015 412047710 /nfs/dbraw/zinc/04/77/10/412047710.db2.gz QWTGXOVNRDPFHI-XJFOESAGSA-N 1 3 224.392 2.338 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248015 412047711 /nfs/dbraw/zinc/04/77/11/412047711.db2.gz QWTGXOVNRDPFHI-XJFOESAGSA-N 1 3 224.392 2.338 20 0 BEADHO CN(C[C@@H]1C[C@H]2C[C@H]2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662263761 412055640 /nfs/dbraw/zinc/05/56/40/412055640.db2.gz DTVFTZAYSQBTMK-YZIJQKGNSA-N 1 3 234.387 2.247 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000662263447 412056202 /nfs/dbraw/zinc/05/62/02/412056202.db2.gz BHSBLUQHHPYEKX-GMTAPVOTSA-N 1 3 234.334 2.337 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000662263447 412056205 /nfs/dbraw/zinc/05/62/05/412056205.db2.gz BHSBLUQHHPYEKX-GMTAPVOTSA-N 1 3 234.334 2.337 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000309448321 171043851 /nfs/dbraw/zinc/04/38/51/171043851.db2.gz KLIBXGDXHUCYLI-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000309612746 171044918 /nfs/dbraw/zinc/04/49/18/171044918.db2.gz AQWVQYUFZYSFPU-MQYQWHSLSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309612746 171044920 /nfs/dbraw/zinc/04/49/20/171044920.db2.gz AQWVQYUFZYSFPU-MQYQWHSLSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309612746 171044923 /nfs/dbraw/zinc/04/49/23/171044923.db2.gz AQWVQYUFZYSFPU-MQYQWHSLSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000309612750 171045495 /nfs/dbraw/zinc/04/54/95/171045495.db2.gz AQWVQYUFZYSFPU-RQJABVFESA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309612750 171045496 /nfs/dbraw/zinc/04/54/96/171045496.db2.gz AQWVQYUFZYSFPU-RQJABVFESA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309612750 171045498 /nfs/dbraw/zinc/04/54/98/171045498.db2.gz AQWVQYUFZYSFPU-RQJABVFESA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1CN ZINC000662280468 412071083 /nfs/dbraw/zinc/07/10/83/412071083.db2.gz FBDDGEJABNCNTD-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1CN ZINC000662280468 412071085 /nfs/dbraw/zinc/07/10/85/412071085.db2.gz FBDDGEJABNCNTD-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCN(CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000662280468 412071086 /nfs/dbraw/zinc/07/10/86/412071086.db2.gz FBDDGEJABNCNTD-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCC1CCC1 ZINC000662284749 412076703 /nfs/dbraw/zinc/07/67/03/412076703.db2.gz PGFADEHBDLHCQR-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO CO[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000662283074 412074726 /nfs/dbraw/zinc/07/47/26/412074726.db2.gz KIRVDLRDRTVVLY-MCIONIFRSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CC=CC2)[C@H]1CCN ZINC000662285850 412078575 /nfs/dbraw/zinc/07/85/75/412078575.db2.gz NSCGGZTULOXDKW-JSGCOSHPSA-N 1 3 222.376 2.402 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CC=CC2)[C@H]1CCN ZINC000662285850 412078578 /nfs/dbraw/zinc/07/85/78/412078578.db2.gz NSCGGZTULOXDKW-JSGCOSHPSA-N 1 3 222.376 2.402 20 0 BEADHO C[N@H+](CCCc1cccc(F)c1)CC(C)(C)N ZINC000662294228 412081339 /nfs/dbraw/zinc/08/13/39/412081339.db2.gz JSFJUQUOCMRWJW-UHFFFAOYSA-N 1 3 238.350 2.427 20 0 BEADHO C[N@@H+](CCCc1cccc(F)c1)CC(C)(C)N ZINC000662294228 412081341 /nfs/dbraw/zinc/08/13/41/412081341.db2.gz JSFJUQUOCMRWJW-UHFFFAOYSA-N 1 3 238.350 2.427 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336681996 171388980 /nfs/dbraw/zinc/38/89/80/171388980.db2.gz HZZLKXLCXJBUOL-WOPDTQHZSA-N 1 3 200.370 2.208 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)OC ZINC000362974750 171393641 /nfs/dbraw/zinc/39/36/41/171393641.db2.gz BPWJVYBYVPLZIE-CRWXNKLISA-N 1 3 242.407 2.155 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000662298722 412086714 /nfs/dbraw/zinc/08/67/14/412086714.db2.gz FUBFIMSOULDARW-GFCCVEGCSA-N 1 3 222.376 2.108 20 0 BEADHO C[NH2+]CCCN1CCC(C2CCC2)CC1 ZINC000662298781 412087562 /nfs/dbraw/zinc/08/75/62/412087562.db2.gz GQLTXEABTOMEFQ-UHFFFAOYSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322521 412101034 /nfs/dbraw/zinc/10/10/34/412101034.db2.gz ILIBASPUKWGJOT-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1CNC1 ZINC000665274647 412214476 /nfs/dbraw/zinc/21/44/76/412214476.db2.gz VCXNTVYCGVGDMI-KIENENRBSA-N 1 3 228.355 2.101 20 0 BEADHO Cc1ccncc1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000665239751 412179710 /nfs/dbraw/zinc/17/97/10/412179710.db2.gz YNVZVJKNOIVKDU-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccncc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000665239019 412181585 /nfs/dbraw/zinc/18/15/85/412181585.db2.gz KGJYFWYXDDQNTO-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cc1C ZINC000665245438 412184701 /nfs/dbraw/zinc/18/47/01/412184701.db2.gz IWYFFTRHDMHQLK-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H](C)C2CNC2)cc1C ZINC000665245438 412184703 /nfs/dbraw/zinc/18/47/03/412184703.db2.gz IWYFFTRHDMHQLK-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)[C@@H]1CCCC[C@H]1C ZINC000665241684 412184880 /nfs/dbraw/zinc/18/48/80/412184880.db2.gz WCBMGJYZCRCOOK-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000665245473 412189572 /nfs/dbraw/zinc/18/95/72/412189572.db2.gz JSAVNBIJPHQENB-ZIAGYGMSSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+]CC1(N)CCCC1 ZINC000665246344 412190505 /nfs/dbraw/zinc/19/05/05/412190505.db2.gz CHDHISTVMJKHAY-NSHDSACASA-N 1 3 222.332 2.072 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccoc1 ZINC000665262276 412205569 /nfs/dbraw/zinc/20/55/69/412205569.db2.gz XWDQSOBEVWTHIV-OLZOCXBDSA-N 1 3 222.332 2.072 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)O1 ZINC000665265181 412208544 /nfs/dbraw/zinc/20/85/44/412208544.db2.gz RMCLGTNGSZFTPN-SYQHCUMBSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@]1(CC[NH2+][C@H]2CCC[C@H](N)C2)CC1(F)F ZINC000665266856 412211085 /nfs/dbraw/zinc/21/10/85/412211085.db2.gz KXFMJNLRLAOIBK-DCAQKATOSA-N 1 3 232.318 2.281 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000665267357 412211204 /nfs/dbraw/zinc/21/12/04/412211204.db2.gz VIBWSGRADVGMQZ-MXWKQRLJSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@]1(C)CC1(F)F ZINC000665267357 412211207 /nfs/dbraw/zinc/21/12/07/412211207.db2.gz VIBWSGRADVGMQZ-MXWKQRLJSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1C(C)(C)C1(F)F ZINC000665273814 412215537 /nfs/dbraw/zinc/21/55/37/412215537.db2.gz DRXQSZFSIMHKJJ-MXWKQRLJSA-N 1 3 246.345 2.255 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665273814 412215540 /nfs/dbraw/zinc/21/55/40/412215540.db2.gz DRXQSZFSIMHKJJ-MXWKQRLJSA-N 1 3 246.345 2.255 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1=CCCC1 ZINC000665274038 412215548 /nfs/dbraw/zinc/21/55/48/412215548.db2.gz IMEQJYQTHFWTDO-CHWSQXEVSA-N 1 3 208.349 2.346 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc21 ZINC000422748068 412173434 /nfs/dbraw/zinc/17/34/34/412173434.db2.gz RTYGUKJOYLNZBO-CEVLRCNZSA-N 1 3 244.338 2.041 20 0 BEADHO CC1(C)[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1(F)F ZINC000665274800 412216817 /nfs/dbraw/zinc/21/68/17/412216817.db2.gz YOYFCEQJVGPCNP-BBBLOLIVSA-N 1 3 232.318 2.137 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)C1CCC(F)CC1 ZINC000665274645 412216909 /nfs/dbraw/zinc/21/69/09/412216909.db2.gz VCXNTVYCGVGDMI-CFGSLIKFSA-N 1 3 228.355 2.101 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1(F)F ZINC000665274098 412217946 /nfs/dbraw/zinc/21/79/46/412217946.db2.gz JMOVZXYTSIZFRJ-DCAQKATOSA-N 1 3 246.345 2.385 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCCC2)C12CC(C1)CN2 ZINC000665279659 412222800 /nfs/dbraw/zinc/22/28/00/412222800.db2.gz IOGKBFUHXDRXNP-JVWICGRDSA-N 1 3 234.387 2.441 20 0 BEADHO C(N[C@@H]1CCCC12CCCC2)C12CC(C1)C[NH2+]2 ZINC000665279659 412222803 /nfs/dbraw/zinc/22/28/03/412222803.db2.gz IOGKBFUHXDRXNP-JVWICGRDSA-N 1 3 234.387 2.441 20 0 BEADHO CCC[C@H]([NH2+]CC12CC(C1)CN2)C1CCC1 ZINC000665280276 412225095 /nfs/dbraw/zinc/22/50/95/412225095.db2.gz XSJXHOQUHFJVLD-QRMWWUJWSA-N 1 3 222.376 2.297 20 0 BEADHO CCC[C@H](NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000665280276 412225096 /nfs/dbraw/zinc/22/50/96/412225096.db2.gz XSJXHOQUHFJVLD-QRMWWUJWSA-N 1 3 222.376 2.297 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CCCC[C@@H]1C ZINC000665297311 412237310 /nfs/dbraw/zinc/23/73/10/412237310.db2.gz CYIHLQWSMVYRMH-RVMXOQNASA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CCCC[C@H]1C ZINC000665297313 412237835 /nfs/dbraw/zinc/23/78/35/412237835.db2.gz CYIHLQWSMVYRMH-XQHKEYJVSA-N 1 3 212.381 2.399 20 0 BEADHO COc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000665294074 412239700 /nfs/dbraw/zinc/23/97/00/412239700.db2.gz HNEMULQUUMDAGG-KGLIPLIRSA-N 1 3 248.370 2.363 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H](CCC(C)C)C1CC1 ZINC000665297344 412244674 /nfs/dbraw/zinc/24/46/74/412244674.db2.gz DMBYZDSWPYMBGI-DGCLKSJQSA-N 1 3 212.381 2.399 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccco2)[C@H]2CCC[C@H]21 ZINC000353432132 173153312 /nfs/dbraw/zinc/15/33/12/173153312.db2.gz AQNCMAZFNAOPQE-QLFBSQMISA-N 1 3 248.370 2.285 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccco2)[C@H]2CCC[C@H]21 ZINC000353432132 173153314 /nfs/dbraw/zinc/15/33/14/173153314.db2.gz AQNCMAZFNAOPQE-QLFBSQMISA-N 1 3 248.370 2.285 20 0 BEADHO C[N@@H+]1CC[C@]2(CCN(CCCCCF)C2)C1 ZINC000366495526 173167904 /nfs/dbraw/zinc/16/79/04/173167904.db2.gz GUOBPGGUJDLJRQ-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO C[N@H+]1CC[C@]2(CCN(CCCCCF)C2)C1 ZINC000366495526 173167905 /nfs/dbraw/zinc/16/79/05/173167905.db2.gz GUOBPGGUJDLJRQ-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO C[NH2+]CCCN(C)C[C@H](C)CC(C)C ZINC000300853043 173346441 /nfs/dbraw/zinc/34/64/41/173346441.db2.gz FOFNWCRBMMIDRO-GFCCVEGCSA-N 1 3 200.370 2.210 20 0 BEADHO CNC[C@@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC000300967072 173368857 /nfs/dbraw/zinc/36/88/57/173368857.db2.gz RPZLXPUGISVTFU-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@@H]1CCC[N@H+]1C[C@H](C)CC(C)C ZINC000300967072 173368859 /nfs/dbraw/zinc/36/88/59/173368859.db2.gz RPZLXPUGISVTFU-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000053031454 173369779 /nfs/dbraw/zinc/36/97/79/173369779.db2.gz IQULHYFLHXGSDS-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000053031454 173369780 /nfs/dbraw/zinc/36/97/80/173369780.db2.gz IQULHYFLHXGSDS-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCC2CCCC2)C1 ZINC000053031454 173369781 /nfs/dbraw/zinc/36/97/81/173369781.db2.gz IQULHYFLHXGSDS-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000226638595 173370511 /nfs/dbraw/zinc/37/05/11/173370511.db2.gz KLFHTYXLSZCLRG-IHRRRGAJSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000226638595 173370512 /nfs/dbraw/zinc/37/05/12/173370512.db2.gz KLFHTYXLSZCLRG-IHRRRGAJSA-N 1 3 224.392 2.354 20 0 BEADHO C[NH2+]C[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC000071142058 173370766 /nfs/dbraw/zinc/37/07/66/173370766.db2.gz HUAYMWCXJAUOTH-AWEZNQCLSA-N 1 3 232.371 2.345 20 0 BEADHO C[NH2+]C[C@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000071142560 173381317 /nfs/dbraw/zinc/38/13/17/173381317.db2.gz GCKDVGNWRPGYLR-UONOGXRCSA-N 1 3 232.371 2.331 20 0 BEADHO COCCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365405606 174177795 /nfs/dbraw/zinc/17/77/95/174177795.db2.gz TUSFMYPETDQRGB-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO COCCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365405606 174177797 /nfs/dbraw/zinc/17/77/97/174177797.db2.gz TUSFMYPETDQRGB-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO COCCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000365405606 174177799 /nfs/dbraw/zinc/17/77/99/174177799.db2.gz TUSFMYPETDQRGB-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO COCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000363546410 174264407 /nfs/dbraw/zinc/26/44/07/174264407.db2.gz RKZOAPLDPKJKKU-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000045037484 174383059 /nfs/dbraw/zinc/38/30/59/174383059.db2.gz ABVYPXZFGVKVDP-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO COc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093209641 175111938 /nfs/dbraw/zinc/11/19/38/175111938.db2.gz DIOOHLZCSWWPID-STQMWFEESA-N 1 3 234.343 2.055 20 0 BEADHO CC(C)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000053658198 487630230 /nfs/dbraw/zinc/63/02/30/487630230.db2.gz MQCINLQPCDKFQP-AWEZNQCLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCNCC1 ZINC000042859659 176076443 /nfs/dbraw/zinc/07/64/43/176076443.db2.gz ZPZJICWFVVSSJU-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCNC2)C1 ZINC000235298580 176118258 /nfs/dbraw/zinc/11/82/58/176118258.db2.gz PVNWYCUYEUDGIX-MGPQQGTHSA-N 1 3 224.392 2.402 20 0 BEADHO C[C@@H]1CCC[C@H](CCN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359294841 176136118 /nfs/dbraw/zinc/13/61/18/176136118.db2.gz AUVFLLAFSVICSF-KBXIAJHMSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)[C@H](C)C1 ZINC000069675262 176212263 /nfs/dbraw/zinc/21/22/63/176212263.db2.gz VPWYBMUIIVTFQE-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000228981558 176213394 /nfs/dbraw/zinc/21/33/94/176213394.db2.gz GKFHYUGQQKIDFD-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336717140 176218231 /nfs/dbraw/zinc/21/82/31/176218231.db2.gz XUVHLWQQVGGQPA-LPWJVIDDSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336717140 176218234 /nfs/dbraw/zinc/21/82/34/176218234.db2.gz XUVHLWQQVGGQPA-LPWJVIDDSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336717140 176218236 /nfs/dbraw/zinc/21/82/36/176218236.db2.gz XUVHLWQQVGGQPA-LPWJVIDDSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC1CC(F)(F)C1 ZINC000336781418 176278460 /nfs/dbraw/zinc/27/84/60/176278460.db2.gz UPZKXKVCIPUXBL-KKZNHRDASA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC(F)(F)C1 ZINC000336781418 176278461 /nfs/dbraw/zinc/27/84/61/176278461.db2.gz UPZKXKVCIPUXBL-KKZNHRDASA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1CN(CCCC(C)(C)C)CC[C@H]1[NH3+] ZINC000300836082 176287599 /nfs/dbraw/zinc/28/75/99/176287599.db2.gz INTNPPMNVQNEMS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[N@H+](CCCC(C)(C)C)CC[C@H]1N ZINC000300836082 176287600 /nfs/dbraw/zinc/28/76/00/176287600.db2.gz INTNPPMNVQNEMS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](CCCC(C)(C)C)CC[C@H]1N ZINC000300836082 176287602 /nfs/dbraw/zinc/28/76/02/176287602.db2.gz INTNPPMNVQNEMS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000336467903 176292171 /nfs/dbraw/zinc/29/21/71/176292171.db2.gz UKGXMDKELSLFON-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCN2C)CCS1 ZINC000336467903 176292173 /nfs/dbraw/zinc/29/21/73/176292173.db2.gz UKGXMDKELSLFON-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1C[C@@H](NCCc2ccccc2O)CC[N@@H+]1C ZINC000154920170 176376574 /nfs/dbraw/zinc/37/65/74/176376574.db2.gz IHAAYCHBXCUWIN-OCCSQVGLSA-N 1 3 248.370 2.007 20 0 BEADHO C[C@@H]1C[C@@H](NCCc2ccccc2O)CC[N@H+]1C ZINC000154920170 176376575 /nfs/dbraw/zinc/37/65/75/176376575.db2.gz IHAAYCHBXCUWIN-OCCSQVGLSA-N 1 3 248.370 2.007 20 0 BEADHO CCCC[C@@H](C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000383513594 487634197 /nfs/dbraw/zinc/63/41/97/487634197.db2.gz HDZSMWPBCNYFDS-ZIAGYGMSSA-N 1 3 244.423 2.198 20 0 BEADHO CCCC[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383513594 487634200 /nfs/dbraw/zinc/63/42/00/487634200.db2.gz HDZSMWPBCNYFDS-ZIAGYGMSSA-N 1 3 244.423 2.198 20 0 BEADHO CCCC[C@@H](C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383513572 487634360 /nfs/dbraw/zinc/63/43/60/487634360.db2.gz HDZSMWPBCNYFDS-KGLIPLIRSA-N 1 3 244.423 2.198 20 0 BEADHO CCCC[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383513572 487634366 /nfs/dbraw/zinc/63/43/66/487634366.db2.gz HDZSMWPBCNYFDS-KGLIPLIRSA-N 1 3 244.423 2.198 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@]1(C)CCCO1 ZINC000340178854 176844751 /nfs/dbraw/zinc/84/47/51/176844751.db2.gz AVAMBBISYJFEBE-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](NCCC[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340178854 176844753 /nfs/dbraw/zinc/84/47/53/176844753.db2.gz AVAMBBISYJFEBE-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1N ZINC000049713034 177246982 /nfs/dbraw/zinc/24/69/82/177246982.db2.gz VQPPCRBHGUAXFG-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1N ZINC000049713034 177246983 /nfs/dbraw/zinc/24/69/83/177246983.db2.gz VQPPCRBHGUAXFG-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CN(CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000049713034 177246984 /nfs/dbraw/zinc/24/69/84/177246984.db2.gz VQPPCRBHGUAXFG-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000122312936 177323966 /nfs/dbraw/zinc/32/39/66/177323966.db2.gz CGUUJETWSSGYCW-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCCCC1 ZINC000122312936 177323968 /nfs/dbraw/zinc/32/39/68/177323968.db2.gz CGUUJETWSSGYCW-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@@H](C[NH3+])CN1c1ccnc2ccccc21 ZINC000216234841 177324690 /nfs/dbraw/zinc/32/46/90/177324690.db2.gz UCJQQOSKTCHTGQ-RYUDHWBXSA-N 1 3 241.338 2.408 20 0 BEADHO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)CN1CCCC1 ZINC000309346835 177332777 /nfs/dbraw/zinc/33/27/77/177332777.db2.gz MJJFXJNICYTMFC-XJFOESAGSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CCc1cccs1 ZINC000049712298 177364390 /nfs/dbraw/zinc/36/43/90/177364390.db2.gz DDKJDMUDZFHXEL-WDEREUQCSA-N 1 3 224.373 2.102 20 0 BEADHO C[C@H]1Cc2ccccc2[C@H]1NCCC[NH+](C)C ZINC000151927111 177391840 /nfs/dbraw/zinc/39/18/40/177391840.db2.gz JWNOBWXTIOWJET-WFASDCNBSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](N[C@@H]1CCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400342027 225017722 /nfs/dbraw/zinc/01/77/22/225017722.db2.gz GALZRROUMOETGW-CORIIIEPSA-N 1 3 230.355 2.262 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826481 322934008 /nfs/dbraw/zinc/93/40/08/322934008.db2.gz PUBIMJFDICXKJZ-YPMHNXCESA-N 1 3 224.392 2.400 20 0 BEADHO CC1(C)CCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000232771061 487652932 /nfs/dbraw/zinc/65/29/32/487652932.db2.gz IIVRMYGTVLTNKV-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CNC[C@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000162989477 487676800 /nfs/dbraw/zinc/67/68/00/487676800.db2.gz RXFKURYNWJQPFN-VXGBXAGGSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000162989477 487676806 /nfs/dbraw/zinc/67/68/06/487676806.db2.gz RXFKURYNWJQPFN-VXGBXAGGSA-N 1 3 212.381 2.210 20 0 BEADHO CCC[NH2+]CCNC[C@@H](C)C(C)(C)C ZINC000162996797 487677867 /nfs/dbraw/zinc/67/78/67/487677867.db2.gz NFSJVCAJLMYGLT-LLVKDONJSA-N 1 3 200.370 2.258 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCNC1 ZINC000398043903 262942788 /nfs/dbraw/zinc/94/27/88/262942788.db2.gz AESVLYRUNXIUIZ-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206166598 974878463 /nfs/dbraw/zinc/87/84/63/974878463.db2.gz SSBOQKLITYFDEG-GHMZBOCLSA-N 1 3 242.363 2.318 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H]1CS[C@@H](C)C1 ZINC000226330589 487713237 /nfs/dbraw/zinc/71/32/37/487713237.db2.gz ZQSKJOLMSWIVDA-RYUDHWBXSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H]1CS[C@@H](C)C1 ZINC000226330589 487713241 /nfs/dbraw/zinc/71/32/41/487713241.db2.gz ZQSKJOLMSWIVDA-RYUDHWBXSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000226330589 487713247 /nfs/dbraw/zinc/71/32/47/487713247.db2.gz ZQSKJOLMSWIVDA-RYUDHWBXSA-N 1 3 230.421 2.200 20 0 BEADHO CCO[C@H]1C[C@H](NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233762027 487740275 /nfs/dbraw/zinc/74/02/75/487740275.db2.gz MGGQGSVJZRPOFW-AGIUHOORSA-N 1 3 242.407 2.153 20 0 BEADHO c1ccc([C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250804228 487741357 /nfs/dbraw/zinc/74/13/57/487741357.db2.gz GVPORTGQBXZZQJ-DZGCQCFKSA-N 1 3 230.355 2.085 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C(C)(C)C ZINC000251138863 487749225 /nfs/dbraw/zinc/74/92/25/487749225.db2.gz VYRIYRFLOCZPJD-GRYCIOLGSA-N 1 3 212.381 2.386 20 0 BEADHO C[N@H+](CCC(C)(C)C)C[C@@H]1CCCNC1 ZINC000234288847 487793423 /nfs/dbraw/zinc/79/34/23/487793423.db2.gz UGKUOSXWTQCFPD-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCNC1 ZINC000234288847 487793427 /nfs/dbraw/zinc/79/34/27/487793427.db2.gz UGKUOSXWTQCFPD-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CN(CCC(C)(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000234288847 487793429 /nfs/dbraw/zinc/79/34/29/487793429.db2.gz UGKUOSXWTQCFPD-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@]1(c2ccc(F)cc2)CCN(CCC[NH3+])C1 ZINC000414740122 487820031 /nfs/dbraw/zinc/82/00/31/487820031.db2.gz JKZUTDHQKFBQRJ-AWEZNQCLSA-N 1 3 236.334 2.138 20 0 BEADHO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCN ZINC000414751417 487822264 /nfs/dbraw/zinc/82/22/64/487822264.db2.gz AKUZWHAUYDJRTF-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCCN ZINC000414751417 487822269 /nfs/dbraw/zinc/82/22/69/487822269.db2.gz AKUZWHAUYDJRTF-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO CCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681643600 487830117 /nfs/dbraw/zinc/83/01/17/487830117.db2.gz FAWHHJHSPJKBAV-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO CCC[C@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC000681643600 487830121 /nfs/dbraw/zinc/83/01/21/487830121.db2.gz FAWHHJHSPJKBAV-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO C[C@@H](CC1CCC1)NC[C@H]1CCCC[NH2+]1 ZINC000666770899 487854813 /nfs/dbraw/zinc/85/48/13/487854813.db2.gz YZCHYGLAATZPPK-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CC1CCC1)NC[C@H]1CCCC[NH2+]1 ZINC000666770898 487855152 /nfs/dbraw/zinc/85/51/52/487855152.db2.gz YZCHYGLAATZPPK-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCNC[C@@H]2C)s1 ZINC000309331795 487867529 /nfs/dbraw/zinc/86/75/29/487867529.db2.gz IYPGJGPJIAKXAB-GXFFZTMASA-N 1 3 238.400 2.398 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1cccc2cnccc21 ZINC000666741387 487867933 /nfs/dbraw/zinc/86/79/33/487867933.db2.gz ICPWCPTZIDVDKN-OAHLLOKOSA-N 1 3 243.354 2.308 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1cccc2cnccc21 ZINC000666741386 487869827 /nfs/dbraw/zinc/86/98/27/487869827.db2.gz ICPWCPTZIDVDKN-HNNXBMFYSA-N 1 3 243.354 2.308 20 0 BEADHO CC1(C)CC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000128570828 487874048 /nfs/dbraw/zinc/87/40/48/487874048.db2.gz HZQXYCXIUNJGBC-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCCNC1 ZINC000666765799 487874092 /nfs/dbraw/zinc/87/40/92/487874092.db2.gz ZNZVVXIZTZHBPY-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)CC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000128571288 487873893 /nfs/dbraw/zinc/87/38/93/487873893.db2.gz HZQXYCXIUNJGBC-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CC1CCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000666762247 487874484 /nfs/dbraw/zinc/87/44/84/487874484.db2.gz IIAXRUCEVPELCT-BKQLOGFTSA-N 1 3 222.376 2.438 20 0 BEADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000334458392 487884272 /nfs/dbraw/zinc/88/42/72/487884272.db2.gz QZCCCSLVJGHSCM-AWEZNQCLSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000334458392 487884275 /nfs/dbraw/zinc/88/42/75/487884275.db2.gz QZCCCSLVJGHSCM-AWEZNQCLSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccccc1C1CC1 ZINC000666831972 487888306 /nfs/dbraw/zinc/88/83/06/487888306.db2.gz XKPJJARTTMLOHA-LLVKDONJSA-N 1 3 218.344 2.391 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000666880450 487895814 /nfs/dbraw/zinc/89/58/14/487895814.db2.gz NCSSKPYCEMXRIP-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](C[NH2+]C1(C)CCNCC1)C(C)(C)C ZINC000666882280 487895874 /nfs/dbraw/zinc/89/58/74/487895874.db2.gz VZQRJFRMJLUQAT-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCN[C@H](C)C1)C(C)(C)C ZINC000666874263 487896092 /nfs/dbraw/zinc/89/60/92/487896092.db2.gz VZACDGQTFBRLQF-QJPTWQEYSA-N 1 3 212.381 2.399 20 0 BEADHO CC1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CCC1 ZINC000666993917 487902066 /nfs/dbraw/zinc/90/20/66/487902066.db2.gz SSOCSWGZEFCAOH-GFCCVEGCSA-N 1 3 222.376 2.441 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](NCc2cccc(F)c2F)C1 ZINC000666962228 487920007 /nfs/dbraw/zinc/92/00/07/487920007.db2.gz UDDCNUICJHPROH-KOLCDFICSA-N 1 3 240.297 2.182 20 0 BEADHO C1CC2(C1)C[C@H]([NH2+]C1CCSCC1)CCN2 ZINC000666995208 487920867 /nfs/dbraw/zinc/92/08/67/487920867.db2.gz GJQMRVAHVVBPAN-GFCCVEGCSA-N 1 3 240.416 2.146 20 0 BEADHO C[C@@H](CC1CCC1)N[C@H]1CCCC[NH2+]C1 ZINC000666993014 487923520 /nfs/dbraw/zinc/92/35/20/487923520.db2.gz WSLBDZGRPHPNFX-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CC1CCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000666993016 487923579 /nfs/dbraw/zinc/92/35/79/487923579.db2.gz WSLBDZGRPHPNFX-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCSC1 ZINC000666993954 487923807 /nfs/dbraw/zinc/92/38/07/487923807.db2.gz WMIKMHCQNXIAOZ-NEPJUHHUSA-N 1 3 240.416 2.004 20 0 BEADHO CC1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC1 ZINC000666993838 487923962 /nfs/dbraw/zinc/92/39/62/487923962.db2.gz NTTGLDXBIZLQSV-LLVKDONJSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995571 487924834 /nfs/dbraw/zinc/92/48/34/487924834.db2.gz SHPPVWJEGYJTOH-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO COCC1(CC[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 ZINC000566480836 323000995 /nfs/dbraw/zinc/00/09/95/323000995.db2.gz BBVGCRDWOYDSJY-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO CC[C@H]([NH2+]CCCNC(C)C)[C@@H]1C[C@H]1C ZINC000562956422 323034857 /nfs/dbraw/zinc/03/48/57/323034857.db2.gz SUMPYHRWEXDVAL-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000397252918 323043102 /nfs/dbraw/zinc/04/31/02/323043102.db2.gz DHOZJYSHRXSKHC-YVECIDJPSA-N 1 3 242.432 2.045 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000397252918 323043103 /nfs/dbraw/zinc/04/31/03/323043103.db2.gz DHOZJYSHRXSKHC-YVECIDJPSA-N 1 3 242.432 2.045 20 0 BEADHO Cc1ccc(OCCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000570463200 323060153 /nfs/dbraw/zinc/06/01/53/323060153.db2.gz UTDJUFIUTGYASH-ZIAGYGMSSA-N 1 3 248.370 2.233 20 0 BEADHO CC(C)[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000570562622 323063134 /nfs/dbraw/zinc/06/31/34/323063134.db2.gz HYLGVVWJPCIRHO-UONOGXRCSA-N 1 3 224.392 2.400 20 0 BEADHO COC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CC1 ZINC000397299472 323087415 /nfs/dbraw/zinc/08/74/15/323087415.db2.gz CTTVNRIDWFBGHJ-ZNMIVQPWSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000563154710 323095824 /nfs/dbraw/zinc/09/58/24/323095824.db2.gz TWALEVYVDCCQEL-WUHRBBMRSA-N 1 3 228.355 2.387 20 0 BEADHO CCOCCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000563423083 323124324 /nfs/dbraw/zinc/12/43/24/323124324.db2.gz DBIKTNWZZXFJIB-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1cccc(CCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000258956165 323146547 /nfs/dbraw/zinc/14/65/47/323146547.db2.gz KTCDBUYOWJEIHJ-KBPBESRZSA-N 1 3 218.344 2.007 20 0 BEADHO CC[NH+]1CCC(NCCc2ccc(C)o2)CC1 ZINC000531939861 323155446 /nfs/dbraw/zinc/15/54/46/323155446.db2.gz LFTYEWUPJQRXCB-UHFFFAOYSA-N 1 3 236.359 2.204 20 0 BEADHO CCc1ccc(C[NH2+][C@H](C)[C@H](C)N)s1 ZINC000308534179 323175242 /nfs/dbraw/zinc/17/52/42/323175242.db2.gz LUQOKQDCUQPPMG-DTWKUNHWSA-N 1 3 212.362 2.136 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C1CC1 ZINC000323953514 323188404 /nfs/dbraw/zinc/18/84/04/323188404.db2.gz AAYXGQJTRYINKS-DRZSPHRISA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000395136329 323188829 /nfs/dbraw/zinc/18/88/29/323188829.db2.gz RTLRVQBKVZSEJH-TUAOUCFPSA-N 1 3 212.381 2.399 20 0 BEADHO COCC[C@H]1CCC[C@@H]1[NH2+]CCCNC(C)C ZINC000563951261 323330305 /nfs/dbraw/zinc/33/03/05/323330305.db2.gz UKRWGQOIHXGRAY-KGLIPLIRSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1cc(CN[C@@H](C)CC[NH3+])c(C)s1 ZINC000572224073 323570057 /nfs/dbraw/zinc/57/00/57/323570057.db2.gz IITHWOYVLWVRQP-QMMMGPOBSA-N 1 3 212.362 2.192 20 0 BEADHO FCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000304297945 324199625 /nfs/dbraw/zinc/19/96/25/324199625.db2.gz ZXUDQOOKNJUUQR-JHJVBQTASA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000304297945 324199628 /nfs/dbraw/zinc/19/96/28/324199628.db2.gz ZXUDQOOKNJUUQR-JHJVBQTASA-N 1 3 228.355 2.246 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCCNCC1 ZINC000398105716 324217840 /nfs/dbraw/zinc/21/78/40/324217840.db2.gz VNABIGHLEMQGTR-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C(CN1C2CCC1CC2)C[NH+]1CCCCC1 ZINC000547738017 325389829 /nfs/dbraw/zinc/38/98/29/325389829.db2.gz DAKGEDOKJKLJKW-UHFFFAOYSA-N 1 3 222.376 2.489 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000086403286 325614334 /nfs/dbraw/zinc/61/43/34/325614334.db2.gz WDQFDVNLLKGOGP-OLZOCXBDSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000566481334 326055701 /nfs/dbraw/zinc/05/57/01/326055701.db2.gz HFOXFYKQQASXJW-HRDYMLBCSA-N 1 3 224.270 2.044 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000566630580 326070541 /nfs/dbraw/zinc/07/05/41/326070541.db2.gz XLBWRYQSSDPHKZ-FVCCEPFGSA-N 1 3 208.349 2.035 20 0 BEADHO CN(CCC[N@H+](C)CC1CC1)CC1CC1 ZINC000157599612 326285701 /nfs/dbraw/zinc/28/57/01/326285701.db2.gz JIOGAWPYAGYGII-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO CN(CCC[N@@H+](C)CC1CC1)CC1CC1 ZINC000157599612 326285703 /nfs/dbraw/zinc/28/57/03/326285703.db2.gz JIOGAWPYAGYGII-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO CC1CC[NH+](CCSCCN(C)C)CC1 ZINC000157920030 326300155 /nfs/dbraw/zinc/30/01/55/326300155.db2.gz GFYWNLRKDZWQQJ-UHFFFAOYSA-N 1 3 230.421 2.013 20 0 BEADHO CCc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000568630903 326369396 /nfs/dbraw/zinc/36/93/96/326369396.db2.gz VEBMTIHIBBOZCR-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000568749061 326374649 /nfs/dbraw/zinc/37/46/49/326374649.db2.gz UPUCSORANXLJAS-ABAIWWIYSA-N 1 3 236.403 2.400 20 0 BEADHO COC[C@H](NCCC[NH2+]C(C)C)C1CCCC1 ZINC000568974363 326384183 /nfs/dbraw/zinc/38/41/83/326384183.db2.gz JWXJMBNOLUDDLW-AWEZNQCLSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1ccc(F)cc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000569002497 326386097 /nfs/dbraw/zinc/38/60/97/326386097.db2.gz BXRQKQBANDQAKS-GHMZBOCLSA-N 1 3 224.323 2.350 20 0 BEADHO CC(C)(CN[C@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000572989749 326423339 /nfs/dbraw/zinc/42/33/39/326423339.db2.gz FCYZANSDBJZPPA-VIFPVBQESA-N 1 3 238.297 2.307 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000388621077 487972511 /nfs/dbraw/zinc/97/25/11/487972511.db2.gz HGSIIDFDJUXJJO-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC[NH+](CC)Cc1cccc2c1CCNC2 ZINC000142705569 487982706 /nfs/dbraw/zinc/98/27/06/487982706.db2.gz RFMGAPJNPUPEFV-UHFFFAOYSA-N 1 3 218.344 2.174 20 0 BEADHO C[C@@H]1C[C@@H]1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000488336108 533713738 /nfs/dbraw/zinc/71/37/38/533713738.db2.gz SYXMAGKAVCJLJL-MGPQQGTHSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@@H]1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000488336108 533713749 /nfs/dbraw/zinc/71/37/49/533713749.db2.gz SYXMAGKAVCJLJL-MGPQQGTHSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000251975509 488066440 /nfs/dbraw/zinc/06/64/40/488066440.db2.gz YJQHBJYHXIZKCU-MROQNXINSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000083680579 488071389 /nfs/dbraw/zinc/07/13/89/488071389.db2.gz JLAKXLNUTQUAGH-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000083680579 488071391 /nfs/dbraw/zinc/07/13/91/488071391.db2.gz JLAKXLNUTQUAGH-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)C[N@H+](CCCN)CC(C)(C)C ZINC000414711330 488082771 /nfs/dbraw/zinc/08/27/71/488082771.db2.gz SGXWQMQOZSYUGB-UHFFFAOYSA-N 1 3 200.370 2.339 20 0 BEADHO CC(C)C[N@@H+](CCCN)CC(C)(C)C ZINC000414711330 488082776 /nfs/dbraw/zinc/08/27/76/488082776.db2.gz SGXWQMQOZSYUGB-UHFFFAOYSA-N 1 3 200.370 2.339 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403637628 488131267 /nfs/dbraw/zinc/13/12/67/488131267.db2.gz OQKDMFNBXQTYKB-XPABHHOTSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403637628 488131271 /nfs/dbraw/zinc/13/12/71/488131271.db2.gz OQKDMFNBXQTYKB-XPABHHOTSA-N 1 3 236.403 2.482 20 0 BEADHO C[NH2+]C1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403335004 488132874 /nfs/dbraw/zinc/13/28/74/488132874.db2.gz BBFUUWIFKZNHTD-UPJWGTAASA-N 1 3 222.376 2.106 20 0 BEADHO CNC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403335004 488132879 /nfs/dbraw/zinc/13/28/79/488132879.db2.gz BBFUUWIFKZNHTD-UPJWGTAASA-N 1 3 222.376 2.106 20 0 BEADHO CC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381556648 487539951 /nfs/dbraw/zinc/53/99/51/487539951.db2.gz OZDAVDZLORCZIK-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381556648 487539953 /nfs/dbraw/zinc/53/99/53/487539953.db2.gz OZDAVDZLORCZIK-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[N@H+](CCCN)C[C@H]1CCCCC1(C)C ZINC000382065918 487529948 /nfs/dbraw/zinc/52/99/48/487529948.db2.gz QCMMLPJBFODWQS-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C[N@@H+](CCCN)C[C@H]1CCCCC1(C)C ZINC000382065918 487529954 /nfs/dbraw/zinc/52/99/54/487529954.db2.gz QCMMLPJBFODWQS-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CN(CCC[NH3+])C[C@H]1CCCCC1(C)C ZINC000382065918 487529956 /nfs/dbraw/zinc/52/99/56/487529956.db2.gz QCMMLPJBFODWQS-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000405986319 487495543 /nfs/dbraw/zinc/49/55/43/487495543.db2.gz CFSYSZQOHFTZDA-NEPJUHHUSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986319 487495551 /nfs/dbraw/zinc/49/55/51/487495551.db2.gz CFSYSZQOHFTZDA-NEPJUHHUSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000680010334 487516812 /nfs/dbraw/zinc/51/68/12/487516812.db2.gz MOCRTACAALJLML-LBPRGKRZSA-N 1 3 219.332 2.002 20 0 BEADHO CC[C@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC000680010334 487516816 /nfs/dbraw/zinc/51/68/16/487516816.db2.gz MOCRTACAALJLML-LBPRGKRZSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@]1(CN)CC[N@H+](CCCC2CCC2)C1 ZINC000662274039 487522859 /nfs/dbraw/zinc/52/28/59/487522859.db2.gz SMCXRVCAQXRUKN-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CCCC2CCC2)C1 ZINC000662274039 487522861 /nfs/dbraw/zinc/52/28/61/487522861.db2.gz SMCXRVCAQXRUKN-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCNC[C@H]1C)C(C)(C)C ZINC000379943451 488162420 /nfs/dbraw/zinc/16/24/20/488162420.db2.gz CPMSHDHIYYEHRC-GRYCIOLGSA-N 1 3 212.381 2.256 20 0 BEADHO CN(C)CCC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000683367869 488153906 /nfs/dbraw/zinc/15/39/06/488153906.db2.gz IGETWMLWDFUOMS-UHFFFAOYSA-N 1 3 248.370 2.005 20 0 BEADHO CN(C)CCC[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000683367869 488153910 /nfs/dbraw/zinc/15/39/10/488153910.db2.gz IGETWMLWDFUOMS-UHFFFAOYSA-N 1 3 248.370 2.005 20 0 BEADHO Cc1ccccc1C[C@H](C)[N@H+](C)CCCN ZINC000435383467 488170651 /nfs/dbraw/zinc/17/06/51/488170651.db2.gz GXNDHYWERKRBHJ-ZDUSSCGKSA-N 1 3 220.360 2.207 20 0 BEADHO Cc1ccccc1C[C@H](C)[N@@H+](C)CCCN ZINC000435383467 488170657 /nfs/dbraw/zinc/17/06/57/488170657.db2.gz GXNDHYWERKRBHJ-ZDUSSCGKSA-N 1 3 220.360 2.207 20 0 BEADHO CC(C)(CNCCC[NH3+])c1ccccc1F ZINC000258702353 488193728 /nfs/dbraw/zinc/19/37/28/488193728.db2.gz GZVCOBGMMNQZCY-UHFFFAOYSA-N 1 3 224.323 2.042 20 0 BEADHO CC(C)(C[NH2+]CCCN)c1ccccc1F ZINC000258702353 488193730 /nfs/dbraw/zinc/19/37/30/488193730.db2.gz GZVCOBGMMNQZCY-UHFFFAOYSA-N 1 3 224.323 2.042 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000678083525 488193890 /nfs/dbraw/zinc/19/38/90/488193890.db2.gz KHYQTPMZQLJZIG-QWRGUYRKSA-N 1 3 232.318 2.058 20 0 BEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000678083525 488193892 /nfs/dbraw/zinc/19/38/92/488193892.db2.gz KHYQTPMZQLJZIG-QWRGUYRKSA-N 1 3 232.318 2.058 20 0 BEADHO C[NH+](C)CC1CCN(Cc2ccc(O)cc2)CC1 ZINC000131427293 490638252 /nfs/dbraw/zinc/63/82/52/490638252.db2.gz FVVSUVABUZNENS-UHFFFAOYSA-N 1 3 248.370 2.166 20 0 BEADHO Cc1ncc([C@H](C)[NH2+][C@@H](C)CCN(C)C)s1 ZINC000090406294 491126059 /nfs/dbraw/zinc/12/60/59/491126059.db2.gz HCWIAQYEYVVXDS-UWVGGRQHSA-N 1 3 241.404 2.442 20 0 BEADHO CC1(C)CCC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000310147503 491160555 /nfs/dbraw/zinc/16/05/55/491160555.db2.gz OGTZZHDLIRRYIY-KBPBESRZSA-N 1 3 236.403 2.354 20 0 BEADHO CC[C@@H](C)C[N@H+](CC)[C@@H]1CCCNCC1 ZINC000086439148 535512493 /nfs/dbraw/zinc/51/24/93/535512493.db2.gz KHIXURKDGLDEJI-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000086439148 535512496 /nfs/dbraw/zinc/51/24/96/535512496.db2.gz KHIXURKDGLDEJI-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CCCN1 ZINC000400639239 534012156 /nfs/dbraw/zinc/01/21/56/534012156.db2.gz NPTFXRSKFJPSGI-CYDGBPFRSA-N 1 3 210.365 2.295 20 0 BEADHO CN(CCC(C)(C)C)CC(C)(C)C[NH3+] ZINC000086637599 536314430 /nfs/dbraw/zinc/31/44/30/536314430.db2.gz PGOGFPHTJWIEFY-UHFFFAOYSA-N 1 3 200.370 2.339 20 0 BEADHO C[C@@H]1CC[C@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000892069316 582784418 /nfs/dbraw/zinc/78/44/18/582784418.db2.gz HWQYRMNCUJPWDC-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000494960058 527836615 /nfs/dbraw/zinc/83/66/15/527836615.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 1 3 242.432 2.013 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000494960058 527836619 /nfs/dbraw/zinc/83/66/19/527836619.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCSC2)C1 ZINC000494960058 527836625 /nfs/dbraw/zinc/83/66/25/527836625.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCSC2)C1 ZINC000494960058 527836626 /nfs/dbraw/zinc/83/66/26/527836626.db2.gz XPQLSXMEVCJQLA-CHWSQXEVSA-N 1 3 242.432 2.013 20 0 BEADHO CC(C)C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261629655 535141055 /nfs/dbraw/zinc/14/10/55/535141055.db2.gz DUIXZRPXWBRNMR-CABCVRRESA-N 1 3 232.371 2.317 20 0 BEADHO CC(C)C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261629655 535141059 /nfs/dbraw/zinc/14/10/59/535141059.db2.gz DUIXZRPXWBRNMR-CABCVRRESA-N 1 3 232.371 2.317 20 0 BEADHO CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000086499891 535186684 /nfs/dbraw/zinc/18/66/84/535186684.db2.gz YJHUGCGXKOIEGL-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352005088 535584466 /nfs/dbraw/zinc/58/44/66/535584466.db2.gz QGWNKAUGUAJTIW-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352005088 535584471 /nfs/dbraw/zinc/58/44/71/535584471.db2.gz QGWNKAUGUAJTIW-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000352005087 535597700 /nfs/dbraw/zinc/59/77/00/535597700.db2.gz QGWNKAUGUAJTIW-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352005087 535597705 /nfs/dbraw/zinc/59/77/05/535597705.db2.gz QGWNKAUGUAJTIW-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H](C)[C@H](N)C1 ZINC000261533337 535936852 /nfs/dbraw/zinc/93/68/52/535936852.db2.gz GSTXXYZVEPBRLU-SMDDNHRTSA-N 1 3 218.344 2.028 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H](C)[C@H](N)C1 ZINC000261533337 535936857 /nfs/dbraw/zinc/93/68/57/535936857.db2.gz GSTXXYZVEPBRLU-SMDDNHRTSA-N 1 3 218.344 2.028 20 0 BEADHO CC[C@@]1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261557554 536048500 /nfs/dbraw/zinc/04/85/00/536048500.db2.gz XKGPJDLZNUOWIV-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](COC)NCCC[NH+]1CCC(C)CC1 ZINC000079707391 536121721 /nfs/dbraw/zinc/12/17/21/536121721.db2.gz QPTZJFQFFMUUIA-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO CCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587434 536179726 /nfs/dbraw/zinc/17/97/26/536179726.db2.gz VBPDECJCQVLOEJ-XHSDSOJGSA-N 1 3 244.382 2.418 20 0 BEADHO COc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000222075266 536897970 /nfs/dbraw/zinc/89/79/70/536897970.db2.gz DXMIZAQHJGFTMO-SWLSCSKDSA-N 1 3 248.370 2.125 20 0 BEADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000222075266 536897971 /nfs/dbraw/zinc/89/79/71/536897971.db2.gz DXMIZAQHJGFTMO-SWLSCSKDSA-N 1 3 248.370 2.125 20 0 BEADHO Cc1cc2[nH]ccc2c(N2CCC[C@@H]([NH3+])[C@@H]2C)n1 ZINC001157740991 970763515 /nfs/dbraw/zinc/76/35/15/970763515.db2.gz JDQYQBNFJDWLDV-CMPLNLGQSA-N 1 3 244.342 2.187 20 0 BEADHO C[C@@H](CCN1CC[C@@H](C)C1)[N@@H+]1CC[C@H](C)C1 ZINC000431606917 566365996 /nfs/dbraw/zinc/36/59/96/566365996.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CCN1CC[C@@H](C)C1)[N@H+]1CC[C@H](C)C1 ZINC000431606917 566366003 /nfs/dbraw/zinc/36/60/03/566366003.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CC[N@@H+]1CC[C@@H](C)C1)N1CC[C@H](C)C1 ZINC000431606917 566366006 /nfs/dbraw/zinc/36/60/06/566366006.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CC[N@H+]1CC[C@@H](C)C1)N1CC[C@H](C)C1 ZINC000431606917 566366012 /nfs/dbraw/zinc/36/60/12/566366012.db2.gz VQTQYAIBAKWKHT-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO C[NH2+]C[C@H](C)NC1CCC(C(F)(F)F)CC1 ZINC000853249609 588729186 /nfs/dbraw/zinc/72/91/86/588729186.db2.gz RWEYZLHRIJVTCT-IDKOKCKLSA-N 1 3 238.297 2.305 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000892019618 582762641 /nfs/dbraw/zinc/76/26/41/582762641.db2.gz NDJGDDNIXUNGAZ-CQSZACIVSA-N 1 3 248.370 2.411 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000892019618 582762643 /nfs/dbraw/zinc/76/26/43/582762643.db2.gz NDJGDDNIXUNGAZ-CQSZACIVSA-N 1 3 248.370 2.411 20 0 BEADHO CN1CCC(C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000892022452 582763482 /nfs/dbraw/zinc/76/34/82/582763482.db2.gz YTPDWMWGMXEGLS-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO CN1CCC(C[N@H+]2CCC(C)(C)C2)CC1 ZINC000892022452 582763484 /nfs/dbraw/zinc/76/34/84/582763484.db2.gz YTPDWMWGMXEGLS-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H]1CC[N@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000892066935 582782773 /nfs/dbraw/zinc/78/27/73/582782773.db2.gz ZRLYIJGNCUPQJM-QWHCGFSZSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000892066935 582782774 /nfs/dbraw/zinc/78/27/74/582782774.db2.gz ZRLYIJGNCUPQJM-QWHCGFSZSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]1CC[C@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000892069316 582784417 /nfs/dbraw/zinc/78/44/17/582784417.db2.gz HWQYRMNCUJPWDC-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC1CCN(C)CC1 ZINC000892224572 582810303 /nfs/dbraw/zinc/81/03/03/582810303.db2.gz XSPSXUNVTSYELF-TXEJJXNPSA-N 1 3 210.365 2.201 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC1CCN(C)CC1 ZINC000892224572 582810307 /nfs/dbraw/zinc/81/03/07/582810307.db2.gz XSPSXUNVTSYELF-TXEJJXNPSA-N 1 3 210.365 2.201 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857253850 583136732 /nfs/dbraw/zinc/13/67/32/583136732.db2.gz TYHFFQVUQRVXFD-DJLDLDEBSA-N 1 3 239.190 2.286 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000894735100 583514105 /nfs/dbraw/zinc/51/41/05/583514105.db2.gz GJHKNPOCVHWLLA-CVEARBPZSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000894735100 583514106 /nfs/dbraw/zinc/51/41/06/583514106.db2.gz GJHKNPOCVHWLLA-CVEARBPZSA-N 1 3 248.414 2.449 20 0 BEADHO Cc1ncoc1CNC(C)(C)CCC[NH+](C)C ZINC000894904217 583552829 /nfs/dbraw/zinc/55/28/29/583552829.db2.gz GUYHUNNLXBVCLW-UHFFFAOYSA-N 1 3 239.363 2.193 20 0 BEADHO C[C@H](CC[NH2+]C[C@H]1CC1(Cl)Cl)N(C)C ZINC000895292088 583637940 /nfs/dbraw/zinc/63/79/40/583637940.db2.gz MBNKWFPSUMWJKJ-RKDXNWHRSA-N 1 3 239.190 2.110 20 0 BEADHO Cc1ccncc1CCC[NH2+]CC[C@@H](C)N(C)C ZINC000895294475 583638113 /nfs/dbraw/zinc/63/81/13/583638113.db2.gz QCQUHPHQIUOGOM-CQSZACIVSA-N 1 3 249.402 2.252 20 0 BEADHO Cc1ccncc1CCCNCC[C@@H](C)[NH+](C)C ZINC000895294475 583638116 /nfs/dbraw/zinc/63/81/16/583638116.db2.gz QCQUHPHQIUOGOM-CQSZACIVSA-N 1 3 249.402 2.252 20 0 BEADHO CCCC[C@H](COC)NCC[C@@H](C)[NH+](C)C ZINC000895293032 583638984 /nfs/dbraw/zinc/63/89/84/583638984.db2.gz FUDRPXMKKULNSM-CHWSQXEVSA-N 1 3 230.396 2.121 20 0 BEADHO COC[C@@H](CC(C)(C)C)NCC[C@H](C)[NH+](C)C ZINC000895292593 583639107 /nfs/dbraw/zinc/63/91/07/583639107.db2.gz RAUGZAPBGNUZEZ-QWHCGFSZSA-N 1 3 244.423 2.367 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)CC1CCOCC1)N(C)C ZINC000895292942 583639264 /nfs/dbraw/zinc/63/92/64/583639264.db2.gz DZDCXYDTVQNHRT-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CSC1CC[NH+](CC2CCN(C)CC2)CC1 ZINC000895691057 583707511 /nfs/dbraw/zinc/70/75/11/583707511.db2.gz AYLPQWIJQHCHGR-UHFFFAOYSA-N 1 3 242.432 2.156 20 0 BEADHO CN1CC[C@@H]([NH2+]Cc2ccc(O)cc2)CC1(C)C ZINC000858121174 588933826 /nfs/dbraw/zinc/93/38/26/588933826.db2.gz XGKPWAJDXCWSSJ-CYBMUJFWSA-N 1 3 248.370 2.355 20 0 BEADHO CC[NH+](CC)CC1CCN(CCC(C)=O)CC1 ZINC000728927514 583937232 /nfs/dbraw/zinc/93/72/32/583937232.db2.gz CUAZMMMYXYLFCN-UHFFFAOYSA-N 1 3 240.391 2.019 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000902346750 584559463 /nfs/dbraw/zinc/55/94/63/584559463.db2.gz POHNMBZDMAGIIX-RYUDHWBXSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCS2)C1 ZINC000902346750 584559464 /nfs/dbraw/zinc/55/94/64/584559464.db2.gz POHNMBZDMAGIIX-RYUDHWBXSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000902348047 584559478 /nfs/dbraw/zinc/55/94/78/584559478.db2.gz QLDQQLXZVHFVIV-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC2CC(F)(F)C2)C1 ZINC000902377192 584568442 /nfs/dbraw/zinc/56/84/42/584568442.db2.gz SONYZDCBASVUKT-VIFPVBQESA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000902350862 584569166 /nfs/dbraw/zinc/56/91/66/584569166.db2.gz BXKRKZFRDLXVNG-YPMHNXCESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000902350861 584569282 /nfs/dbraw/zinc/56/92/82/584569282.db2.gz BXKRKZFRDLXVNG-WCQYABFASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902381988 584576720 /nfs/dbraw/zinc/57/67/20/584576720.db2.gz AMTDXZFJQZDFCU-GRYCIOLGSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1CSC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381988 584576721 /nfs/dbraw/zinc/57/67/21/584576721.db2.gz AMTDXZFJQZDFCU-GRYCIOLGSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902400960 584587665 /nfs/dbraw/zinc/58/76/65/584587665.db2.gz YNVUEIOHUWZOMK-ZYHUDNBSSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CC1(F)F ZINC000902400960 584587666 /nfs/dbraw/zinc/58/76/66/584587666.db2.gz YNVUEIOHUWZOMK-ZYHUDNBSSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CC1)c1cnc2ccsc2c1 ZINC000902418603 584591833 /nfs/dbraw/zinc/59/18/33/584591833.db2.gz XMGVUSXQGCBAMH-SECBINFHSA-N 1 3 247.367 2.438 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428683 584594623 /nfs/dbraw/zinc/59/46/23/584594623.db2.gz GCLDVCMIOBXGLE-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)C1CC1 ZINC000902432804 584595553 /nfs/dbraw/zinc/59/55/53/584595553.db2.gz PZGBYRIPPIXPBP-PWSUYJOCSA-N 1 3 210.365 2.140 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000902440834 584596923 /nfs/dbraw/zinc/59/69/23/584596923.db2.gz ARSOZOOVUFRAOL-AGIUHOORSA-N 1 3 242.382 2.492 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472821 584601053 /nfs/dbraw/zinc/60/10/53/584601053.db2.gz HZGHXAONNDTSGR-QPKOPYBWSA-N 1 3 248.345 2.239 20 0 BEADHO CC1(C)NCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902447308 584604473 /nfs/dbraw/zinc/60/44/73/584604473.db2.gz RYZCUXWCSZCSOL-YATPEIPISA-N 1 3 240.416 2.143 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@H]1CNCC1(C)C ZINC000902448111 584604774 /nfs/dbraw/zinc/60/47/74/584604774.db2.gz CHJHUMPZIHLBHU-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902447500 584605135 /nfs/dbraw/zinc/60/51/35/584605135.db2.gz YPSXDOJMFFMBFA-GRYCIOLGSA-N 1 3 224.392 2.399 20 0 BEADHO CC1CCC([NH2+][C@@H]2CNCC2(C)C)CC1 ZINC000902447731 584605188 /nfs/dbraw/zinc/60/51/88/584605188.db2.gz VGWPYZXQLPXZGA-HTAVTVPLSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)NCC[C@@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902453251 584608122 /nfs/dbraw/zinc/60/81/22/584608122.db2.gz OGZDIPJFTIDBFL-QWRGUYRKSA-N 1 3 242.432 2.391 20 0 BEADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H]21 ZINC000902453081 584608324 /nfs/dbraw/zinc/60/83/24/584608324.db2.gz CCZDWXCZWPQYNP-VOAKCMCISA-N 1 3 220.360 2.049 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902454281 584608426 /nfs/dbraw/zinc/60/84/26/584608426.db2.gz SCYFOEFHTPSLLA-GARJFASQSA-N 1 3 230.421 2.376 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902454279 584608712 /nfs/dbraw/zinc/60/87/12/584608712.db2.gz SCYFOEFHTPSLLA-AXFHLTTASA-N 1 3 230.421 2.376 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CCCC[NH2+]1 ZINC000902454853 584609126 /nfs/dbraw/zinc/60/91/26/584609126.db2.gz JATAGWDYHNROGZ-HTVCTNPSSA-N 1 3 222.376 2.295 20 0 BEADHO CC1(C)NCC[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902455796 584609288 /nfs/dbraw/zinc/60/92/88/584609288.db2.gz YYWDZILGKGLGOC-VXGBXAGGSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@H]21)[C@@H]1CCCC[NH2+]1 ZINC000902454857 584609356 /nfs/dbraw/zinc/60/93/56/584609356.db2.gz JATAGWDYHNROGZ-MQLXINIDSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466796 584614010 /nfs/dbraw/zinc/61/40/10/584614010.db2.gz MVJZKIJXKGQQQX-NJMOYASZSA-N 1 3 222.376 2.294 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466795 584614300 /nfs/dbraw/zinc/61/43/00/584614300.db2.gz MVJZKIJXKGQQQX-NAWOPXAZSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902470275 584616374 /nfs/dbraw/zinc/61/63/74/584616374.db2.gz VWLLOAITOWCRTP-IGQOVBAYSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470739 584616779 /nfs/dbraw/zinc/61/67/79/584616779.db2.gz GFSBCSXKHDJQJH-XADZXUCXSA-N 1 3 222.376 2.294 20 0 BEADHO CC(C)C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902485619 584625523 /nfs/dbraw/zinc/62/55/23/584625523.db2.gz BSJZTOXWYCOSFH-YDHLFZDLSA-N 1 3 247.386 2.496 20 0 BEADHO CCOc1ccccc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902488045 584626815 /nfs/dbraw/zinc/62/68/15/584626815.db2.gz IVSFMXQLHAHSSA-AVGNSLFASA-N 1 3 248.370 2.473 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000902489442 584627220 /nfs/dbraw/zinc/62/72/20/584627220.db2.gz QYVZZNOMHPOVKB-QXEWZRGKSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1ccncc1)C1CC1 ZINC000902515186 584629380 /nfs/dbraw/zinc/62/93/80/584629380.db2.gz UAJWNLUYCQKQJC-WDMOLILDSA-N 1 3 233.359 2.248 20 0 BEADHO C[C@H](NC1(C)C(C)(C)C1(C)C)C1C[NH2+]C1 ZINC000902521002 584631586 /nfs/dbraw/zinc/63/15/86/584631586.db2.gz QPKFCMHPFPHHPJ-VIFPVBQESA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+]C1(C)C(C)(C)C1(C)C)C1CNC1 ZINC000902521002 584631587 /nfs/dbraw/zinc/63/15/87/584631587.db2.gz QPKFCMHPFPHHPJ-VIFPVBQESA-N 1 3 210.365 2.009 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902896931 584691398 /nfs/dbraw/zinc/69/13/98/584691398.db2.gz NKSBWLJYQAYUOR-QDMKHBRRSA-N 1 3 234.387 2.417 20 0 BEADHO C[C@@H]1C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903079323 584724633 /nfs/dbraw/zinc/72/46/33/584724633.db2.gz LXSOTDNWKYVAEN-AAQXDXKCSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@@H]1C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079323 584724634 /nfs/dbraw/zinc/72/46/34/584724634.db2.gz LXSOTDNWKYVAEN-AAQXDXKCSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903079323 584724635 /nfs/dbraw/zinc/72/46/35/584724635.db2.gz LXSOTDNWKYVAEN-AAQXDXKCSA-N 1 3 234.387 2.390 20 0 BEADHO FCCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903174504 584732547 /nfs/dbraw/zinc/73/25/47/584732547.db2.gz KNMUMANIFAXZIZ-QXMXGUDHSA-N 1 3 240.366 2.484 20 0 BEADHO FCCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903174504 584732548 /nfs/dbraw/zinc/73/25/48/584732548.db2.gz KNMUMANIFAXZIZ-QXMXGUDHSA-N 1 3 240.366 2.484 20 0 BEADHO FCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903174504 584732549 /nfs/dbraw/zinc/73/25/49/584732549.db2.gz KNMUMANIFAXZIZ-QXMXGUDHSA-N 1 3 240.366 2.484 20 0 BEADHO CCCSC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000903174900 584732827 /nfs/dbraw/zinc/73/28/27/584732827.db2.gz OQKNOANJNSIIQI-VXGBXAGGSA-N 1 3 232.437 2.305 20 0 BEADHO CCCSC[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000903174899 584732831 /nfs/dbraw/zinc/73/28/31/584732831.db2.gz OQKNOANJNSIIQI-RYUDHWBXSA-N 1 3 232.437 2.305 20 0 BEADHO CCCSC[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000903174897 584732843 /nfs/dbraw/zinc/73/28/43/584732843.db2.gz OQKNOANJNSIIQI-NEPJUHHUSA-N 1 3 232.437 2.305 20 0 BEADHO C1=C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903199671 584734626 /nfs/dbraw/zinc/73/46/26/584734626.db2.gz LSYGVCMARNSSBH-IKKMQULASA-N 1 3 232.371 2.452 20 0 BEADHO C1=C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903199671 584734627 /nfs/dbraw/zinc/73/46/27/584734627.db2.gz LSYGVCMARNSSBH-IKKMQULASA-N 1 3 232.371 2.452 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCc2ccccc2[C@@H]1C ZINC000903434867 584762119 /nfs/dbraw/zinc/76/21/19/584762119.db2.gz LVQGWFVZZYXVEW-IPYPFGDCSA-N 1 3 244.382 2.461 20 0 BEADHO CC1([NH3+])CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903449526 584771127 /nfs/dbraw/zinc/77/11/27/584771127.db2.gz GDOMVXIZTNZXOJ-JGPRNRPPSA-N 1 3 244.329 2.091 20 0 BEADHO NCCC[N@H+](CCOC1CC1)CC1CCCC1 ZINC000903453129 584772903 /nfs/dbraw/zinc/77/29/03/584772903.db2.gz ZZRIZJKGUQWOPO-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO NCCC[N@@H+](CCOC1CC1)CC1CCCC1 ZINC000903453129 584772905 /nfs/dbraw/zinc/77/29/05/584772905.db2.gz ZZRIZJKGUQWOPO-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO [NH3+]CCCN(CCOC1CC1)CC1CCCC1 ZINC000903453129 584772907 /nfs/dbraw/zinc/77/29/07/584772907.db2.gz ZZRIZJKGUQWOPO-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO [NH3+][C@@H]1CC[C@H](CN2CCc3ccc(F)cc3C2)C1 ZINC000903455370 584774228 /nfs/dbraw/zinc/77/42/28/584774228.db2.gz WAAUWEBQDJIIOQ-XHDPSFHLSA-N 1 3 248.345 2.311 20 0 BEADHO C(C[NH2+][C@@H]1CCNC12CCC2)CC1CCC1 ZINC000903471442 584775345 /nfs/dbraw/zinc/77/53/45/584775345.db2.gz JBDMKAPUKOGHPY-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO FC1(F)CC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903472318 584775872 /nfs/dbraw/zinc/77/58/72/584775872.db2.gz RWEIUCGEDHCVME-GHMZBOCLSA-N 1 3 244.329 2.296 20 0 BEADHO FC1(F)CC[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903472319 584775902 /nfs/dbraw/zinc/77/59/02/584775902.db2.gz RWEIUCGEDHCVME-MNOVXSKESA-N 1 3 244.329 2.296 20 0 BEADHO C([NH2+][C@H]1CCNC12CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903481923 584778845 /nfs/dbraw/zinc/77/88/45/584778845.db2.gz QLVCRPOFBZVETE-CRWXNKLISA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903716266 584794335 /nfs/dbraw/zinc/79/43/35/584794335.db2.gz LESVNSHWTXHJCB-POOIEITISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716266 584794336 /nfs/dbraw/zinc/79/43/36/584794336.db2.gz LESVNSHWTXHJCB-POOIEITISA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CC(C)C2)CC[C@@H]1N ZINC000903747786 584794979 /nfs/dbraw/zinc/79/49/79/584794979.db2.gz XJMVTHOZTBCECH-TUUUFIMRSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CC(C)C2)CC[C@@H]1N ZINC000903747786 584794981 /nfs/dbraw/zinc/79/49/81/584794981.db2.gz XJMVTHOZTBCECH-TUUUFIMRSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1CN(CC2CC(C)C2)CC[C@@H]1[NH3+] ZINC000903747786 584794983 /nfs/dbraw/zinc/79/49/83/584794983.db2.gz XJMVTHOZTBCECH-TUUUFIMRSA-N 1 3 210.365 2.092 20 0 BEADHO CC1CC(CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903751211 584795673 /nfs/dbraw/zinc/79/56/73/584795673.db2.gz FTKYSOJGLFOXSX-RUXDESIVSA-N 1 3 222.376 2.108 20 0 BEADHO CC1CC(CN2CCCCC[C@@H]([NH3+])C2)C1 ZINC000903775463 584799010 /nfs/dbraw/zinc/79/90/10/584799010.db2.gz LFQLAYYYPAEAOX-WXRRBKDZSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CNCC1(C)C)C(C)(C)C ZINC000903821642 584803812 /nfs/dbraw/zinc/80/38/12/584803812.db2.gz OLUXVRVWVAWKLL-QWRGUYRKSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@]12C[N@H+](C[C@H]3CCCNC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827767 584804902 /nfs/dbraw/zinc/80/49/02/584804902.db2.gz WRIGUBBUYLXCDW-ARKGTOAJSA-N 1 3 248.414 2.354 20 0 BEADHO C[C@]12C[N@@H+](C[C@H]3CCCNC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827767 584804904 /nfs/dbraw/zinc/80/49/04/584804904.db2.gz WRIGUBBUYLXCDW-ARKGTOAJSA-N 1 3 248.414 2.354 20 0 BEADHO Cc1ccc(CCN2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903855089 584808896 /nfs/dbraw/zinc/80/88/96/584808896.db2.gz LIFGVQFIMJWEGT-CVEARBPZSA-N 1 3 244.382 2.351 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857365 584809873 /nfs/dbraw/zinc/80/98/73/584809873.db2.gz DKWPIWQFQJAFRP-NTZNESFSSA-N 1 3 246.345 2.481 20 0 BEADHO N[C@@H](C[NH2+]C1(c2ccccc2)CC1)CC(F)F ZINC000903899504 584820646 /nfs/dbraw/zinc/82/06/46/584820646.db2.gz SNEUFNSCSQQGDY-LLVKDONJSA-N 1 3 240.297 2.248 20 0 BEADHO Cc1cccc(CCNC[C@H]([NH3+])CC(F)F)c1 ZINC000903926000 584823970 /nfs/dbraw/zinc/82/39/70/584823970.db2.gz QTCBNKMOMADCOW-GFCCVEGCSA-N 1 3 242.313 2.110 20 0 BEADHO CC(C)([NH3+])CCNC/C=C/c1ccccc1 ZINC000903938437 584826138 /nfs/dbraw/zinc/82/61/38/584826138.db2.gz ALUIROFNHAVJJS-RMKNXTFCSA-N 1 3 218.344 2.417 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+]CCC(C)(C)N ZINC000903939597 584828896 /nfs/dbraw/zinc/82/88/96/584828896.db2.gz JVUOQZXIGPIGDE-LLVKDONJSA-N 1 3 200.370 2.386 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963861 584833500 /nfs/dbraw/zinc/83/35/00/584833500.db2.gz IABXRPMSTQARBD-JHJVBQTASA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000903964092 584834174 /nfs/dbraw/zinc/83/41/74/584834174.db2.gz LHTFSQQFQJEZLJ-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000903965095 584834649 /nfs/dbraw/zinc/83/46/49/584834649.db2.gz ZWNMIGZRUZIJRT-YXCITZCRSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]CCC1CCCCC1 ZINC000903964822 584834710 /nfs/dbraw/zinc/83/47/10/584834710.db2.gz WOLVQBYPRUCWJG-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO CN(Cc1ccc(F)cc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306567 584862060 /nfs/dbraw/zinc/86/20/60/584862060.db2.gz ABSCUKXMARJFRU-WVSHTKLVSA-N 1 3 240.297 2.134 20 0 BEADHO COC[C@@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904321019 584863993 /nfs/dbraw/zinc/86/39/93/584863993.db2.gz TXHPMMYWKQXQTG-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904321019 584863994 /nfs/dbraw/zinc/86/39/94/584863994.db2.gz TXHPMMYWKQXQTG-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904321022 584864258 /nfs/dbraw/zinc/86/42/58/584864258.db2.gz TXHPMMYWKQXQTG-QWHCGFSZSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904321022 584864260 /nfs/dbraw/zinc/86/42/60/584864260.db2.gz TXHPMMYWKQXQTG-QWHCGFSZSA-N 1 3 242.407 2.108 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CN[C@H](CO)C(C)(C)C ZINC000904338556 584864993 /nfs/dbraw/zinc/86/49/93/584864993.db2.gz SXNBBEUECUTLEF-NWDGAFQWSA-N 1 3 244.423 2.137 20 0 BEADHO Cc1ccc(NC2CC(C[NH3+])C2)c(CN(C)C)c1 ZINC000904359131 584871738 /nfs/dbraw/zinc/87/17/38/584871738.db2.gz DJVHOEFKRHMIAH-UHFFFAOYSA-N 1 3 247.386 2.206 20 0 BEADHO C[C@@]1(CNCCc2cccs2)CCC[NH2+]C1 ZINC000904363970 584874546 /nfs/dbraw/zinc/87/45/46/584874546.db2.gz HFWUSWIQLPSTCK-CYBMUJFWSA-N 1 3 238.400 2.270 20 0 BEADHO C[C@@]1(C[NH2+]CCc2cccs2)CCCNC1 ZINC000904363970 584874548 /nfs/dbraw/zinc/87/45/48/584874548.db2.gz HFWUSWIQLPSTCK-CYBMUJFWSA-N 1 3 238.400 2.270 20 0 BEADHO C[C@@]1(C[NH2+]CCc2ccccc2)CCCNC1 ZINC000904364689 584875077 /nfs/dbraw/zinc/87/50/77/584875077.db2.gz ORMNZSOVGXASNF-OAHLLOKOSA-N 1 3 232.371 2.208 20 0 BEADHO C[C@@]1(CNCCc2ccccc2)CCC[NH2+]C1 ZINC000904364689 584875078 /nfs/dbraw/zinc/87/50/78/584875078.db2.gz ORMNZSOVGXASNF-OAHLLOKOSA-N 1 3 232.371 2.208 20 0 BEADHO C[C@@]1(CN2CC[C@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376391 584876391 /nfs/dbraw/zinc/87/63/91/584876391.db2.gz QZXLEBZYUFDQND-NEPJUHHUSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@@]1(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CCCNC1 ZINC000904376391 584876393 /nfs/dbraw/zinc/87/63/93/584876393.db2.gz QZXLEBZYUFDQND-NEPJUHHUSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@@]1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CCCNC1 ZINC000904376391 584876395 /nfs/dbraw/zinc/87/63/95/584876395.db2.gz QZXLEBZYUFDQND-NEPJUHHUSA-N 1 3 244.329 2.107 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000904420619 584881965 /nfs/dbraw/zinc/88/19/65/584881965.db2.gz BQKLIKLHGGSQKN-NWDGAFQWSA-N 1 3 236.384 2.098 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)s1 ZINC000904420619 584881966 /nfs/dbraw/zinc/88/19/66/584881966.db2.gz BQKLIKLHGGSQKN-NWDGAFQWSA-N 1 3 236.384 2.098 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)s1 ZINC000904420619 584881967 /nfs/dbraw/zinc/88/19/67/584881967.db2.gz BQKLIKLHGGSQKN-NWDGAFQWSA-N 1 3 236.384 2.098 20 0 BEADHO CC[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768238364 585533422 /nfs/dbraw/zinc/53/34/22/585533422.db2.gz YSPZQOCKYZUKJG-UHFFFAOYSA-N 1 3 206.333 2.200 20 0 BEADHO CC[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000768238364 585533423 /nfs/dbraw/zinc/53/34/23/585533423.db2.gz YSPZQOCKYZUKJG-UHFFFAOYSA-N 1 3 206.333 2.200 20 0 BEADHO CC[N@@H+]1CCC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000774988689 585670160 /nfs/dbraw/zinc/67/01/60/585670160.db2.gz FNNIGHGXKYCZPY-ZIAGYGMSSA-N 1 3 238.375 2.001 20 0 BEADHO CC[N@H+]1CCC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000774988689 585670161 /nfs/dbraw/zinc/67/01/61/585670161.db2.gz FNNIGHGXKYCZPY-ZIAGYGMSSA-N 1 3 238.375 2.001 20 0 BEADHO C[C@@H](C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000777446448 585712375 /nfs/dbraw/zinc/71/23/75/585712375.db2.gz LWCCRFHTBZCMTG-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@@H](C1CC1)[NH+]1CCN(c2ccncc2)CC1 ZINC000777446448 585712376 /nfs/dbraw/zinc/71/23/76/585712376.db2.gz LWCCRFHTBZCMTG-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000782192940 585811448 /nfs/dbraw/zinc/81/14/48/585811448.db2.gz XDIGJUWYUZZWBJ-BNOWGMLFSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000782192940 585811449 /nfs/dbraw/zinc/81/14/49/585811449.db2.gz XDIGJUWYUZZWBJ-BNOWGMLFSA-N 1 3 222.376 2.201 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000817890480 586832216 /nfs/dbraw/zinc/83/22/16/586832216.db2.gz YOCDBMYACGGPKW-GJZGRUSLSA-N 1 3 248.370 2.443 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H]1N ZINC000817909093 586837347 /nfs/dbraw/zinc/83/73/47/586837347.db2.gz XQTMCYBEZJNHLA-KGLIPLIRSA-N 1 3 218.344 2.273 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H]1N ZINC000817909096 586837462 /nfs/dbraw/zinc/83/74/62/586837462.db2.gz XQTMCYBEZJNHLA-ZIAGYGMSSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@H](CSC(C)(C)C)NCC(C)(C)[NH3+] ZINC000817959389 586852083 /nfs/dbraw/zinc/85/20/83/586852083.db2.gz CRHXLOHWDLKXAQ-SECBINFHSA-N 1 3 218.410 2.234 20 0 BEADHO C[C@@H](CSC(C)(C)C)N[C@@H](C[NH3+])C1CC1 ZINC000817959569 586851654 /nfs/dbraw/zinc/85/16/54/586851654.db2.gz GZZUJWJXEFIZLN-ONGXEEELSA-N 1 3 230.421 2.234 20 0 BEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc2c(c1)CCO2 ZINC000817964739 586854252 /nfs/dbraw/zinc/85/42/52/586854252.db2.gz GOFXKQKMMCDLGY-YGRLFVJLSA-N 1 3 246.354 2.009 20 0 BEADHO C[C@H](CSC(C)(C)C)NC[C@H]([NH3+])C1CC1 ZINC000817965640 586854840 /nfs/dbraw/zinc/85/48/40/586854840.db2.gz SRDMAZXFGHCDJB-KOLCDFICSA-N 1 3 230.421 2.234 20 0 BEADHO COc1c(C)cc(C[NH2+]C[C@H](N)C2CC2)cc1C ZINC000841051846 587939635 /nfs/dbraw/zinc/93/96/35/587939635.db2.gz ZIPDQTPMGDVQOS-AWEZNQCLSA-N 1 3 248.370 2.139 20 0 BEADHO CC[C@@H]1C[C@H](CN2CCC(C)([NH3+])CC2)CCO1 ZINC000843108456 588081775 /nfs/dbraw/zinc/08/17/75/588081775.db2.gz SVVYMMRASSMVMI-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1ccoc1 ZINC000843343702 588101585 /nfs/dbraw/zinc/10/15/85/588101585.db2.gz WUBXMABWFLVQHR-LLVKDONJSA-N 1 3 210.321 2.449 20 0 BEADHO Cc1cccc(NC(=[NH2+])NC[C@@H](C)CN(C)C)c1 ZINC000849030736 588442575 /nfs/dbraw/zinc/44/25/75/588442575.db2.gz VXAZTGTWXSVOGN-GFCCVEGCSA-N 1 3 248.374 2.129 20 0 BEADHO ClC(Cl)=CCN1CCC2(CC[NH2+]C2)CC1 ZINC000852748751 588699657 /nfs/dbraw/zinc/69/96/57/588699657.db2.gz CGBFFSPKKYMWPQ-UHFFFAOYSA-N 1 3 249.185 2.381 20 0 BEADHO C[NH+](C)C1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000862223422 589195741 /nfs/dbraw/zinc/19/57/41/589195741.db2.gz PLWFHKFCUFDOMB-CYBMUJFWSA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000865733262 589459278 /nfs/dbraw/zinc/45/92/78/589459278.db2.gz GSQRQQHTWZHUQP-FVCCEPFGSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865733262 589459279 /nfs/dbraw/zinc/45/92/79/589459279.db2.gz GSQRQQHTWZHUQP-FVCCEPFGSA-N 1 3 240.416 2.097 20 0 BEADHO CC[C@@H]([NH2+]CC[C@H]1CCSC1)[C@@H]1CCCN1 ZINC000873235516 590003969 /nfs/dbraw/zinc/00/39/69/590003969.db2.gz NIQUBURMSPTYOG-XQQFMLRXSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000873235971 590004202 /nfs/dbraw/zinc/00/42/02/590004202.db2.gz SBSDUSMOFMYDFZ-AGIUHOORSA-N 1 3 242.432 2.107 20 0 BEADHO COCCC[C@@H](C)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236918 590004800 /nfs/dbraw/zinc/00/48/00/590004800.db2.gz KTKJSOPWXMYLEB-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1nc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)c(C)s1 ZINC000873252154 590009034 /nfs/dbraw/zinc/00/90/34/590009034.db2.gz PTITZRARSJAUQI-BKDNQFJXSA-N 1 3 239.388 2.148 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cccnc1Cl ZINC000873254322 590009344 /nfs/dbraw/zinc/00/93/44/590009344.db2.gz QOAAWZNZOZGLSL-LPEHRKFASA-N 1 3 239.750 2.123 20 0 BEADHO Cc1nc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)c(C)s1 ZINC000873256733 590011960 /nfs/dbraw/zinc/01/19/60/590011960.db2.gz PTITZRARSJAUQI-AVPPRXQKSA-N 1 3 239.388 2.148 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2ncccc12 ZINC000873282340 590018677 /nfs/dbraw/zinc/01/86/77/590018677.db2.gz CGSJKANKBVUZTQ-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO CC(C)[N@H+](C)Cc1cccc2c1CCNC2 ZINC000125646488 590176232 /nfs/dbraw/zinc/17/62/32/590176232.db2.gz HKQXUUJJHYOLRT-UHFFFAOYSA-N 1 3 218.344 2.173 20 0 BEADHO CC(C)[N@@H+](C)Cc1cccc2c1CCNC2 ZINC000125646488 590176233 /nfs/dbraw/zinc/17/62/33/590176233.db2.gz HKQXUUJJHYOLRT-UHFFFAOYSA-N 1 3 218.344 2.173 20 0 BEADHO CC[C@H](C)[C@@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC000876596486 590219885 /nfs/dbraw/zinc/21/98/85/590219885.db2.gz RGBUPVIQBLDEAD-GXTWGEPZSA-N 1 3 242.407 2.074 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CC1(F)F ZINC000877073694 590278125 /nfs/dbraw/zinc/27/81/25/590278125.db2.gz QRGYZRBQUYSKBE-IRCOFANPSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC1(F)F ZINC000877073694 590278127 /nfs/dbraw/zinc/27/81/27/590278127.db2.gz QRGYZRBQUYSKBE-IRCOFANPSA-N 1 3 246.345 2.493 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000877074127 590278344 /nfs/dbraw/zinc/27/83/44/590278344.db2.gz ZSTBVNOCRSZXFP-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)C1(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000877738848 590406285 /nfs/dbraw/zinc/40/62/85/590406285.db2.gz MOAAABAGEOMOJB-ZIAGYGMSSA-N 1 3 236.403 2.449 20 0 BEADHO CC(C)C1(CN2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000877738848 590406286 /nfs/dbraw/zinc/40/62/86/590406286.db2.gz MOAAABAGEOMOJB-ZIAGYGMSSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741287 590409275 /nfs/dbraw/zinc/40/92/75/590409275.db2.gz AKBLAFNJTIXEBA-HUUCEWRRSA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000877741287 590409277 /nfs/dbraw/zinc/40/92/77/590409277.db2.gz AKBLAFNJTIXEBA-HUUCEWRRSA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741283 590409801 /nfs/dbraw/zinc/40/98/01/590409801.db2.gz AKBLAFNJTIXEBA-CABCVRRESA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741283 590409803 /nfs/dbraw/zinc/40/98/03/590409803.db2.gz AKBLAFNJTIXEBA-CABCVRRESA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743361 590410191 /nfs/dbraw/zinc/41/01/91/590410191.db2.gz VIQJSJHFHGUSRR-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743361 590410194 /nfs/dbraw/zinc/41/01/94/590410194.db2.gz VIQJSJHFHGUSRR-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO Cc1ccccc1OCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127210555 590594272 /nfs/dbraw/zinc/59/42/72/590594272.db2.gz NFOWNJQPUDWWPD-ZIAGYGMSSA-N 1 3 248.370 2.043 20 0 BEADHO C[C@@H]1C[N@H+](CC2CC2)CCN1c1ccncc1 ZINC000880262964 590979901 /nfs/dbraw/zinc/97/99/01/590979901.db2.gz UPELAKCIZJIEFA-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CC2)CCN1c1ccncc1 ZINC000880262964 590979904 /nfs/dbraw/zinc/97/99/04/590979904.db2.gz UPELAKCIZJIEFA-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@@H]1CN(CC2CC2)CCN1c1cc[nH+]cc1 ZINC000880262964 590979906 /nfs/dbraw/zinc/97/99/06/590979906.db2.gz UPELAKCIZJIEFA-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO CC(C)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260380 590980082 /nfs/dbraw/zinc/98/00/82/590980082.db2.gz BYXRQBBJINCDFN-LBPRGKRZSA-N 1 3 219.332 2.001 20 0 BEADHO CC(C)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880260380 590980083 /nfs/dbraw/zinc/98/00/83/590980083.db2.gz BYXRQBBJINCDFN-LBPRGKRZSA-N 1 3 219.332 2.001 20 0 BEADHO CC(C)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880260380 590980085 /nfs/dbraw/zinc/98/00/85/590980085.db2.gz BYXRQBBJINCDFN-LBPRGKRZSA-N 1 3 219.332 2.001 20 0 BEADHO CC(C)C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880261079 590980129 /nfs/dbraw/zinc/98/01/29/590980129.db2.gz HVGCZWIWJRSAEF-ZDUSSCGKSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880261079 590980131 /nfs/dbraw/zinc/98/01/31/590980131.db2.gz HVGCZWIWJRSAEF-ZDUSSCGKSA-N 1 3 233.359 2.248 20 0 BEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](CF)C1 ZINC000880295313 590989287 /nfs/dbraw/zinc/98/92/87/590989287.db2.gz JWBVFNTVTPONEU-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](CF)C1 ZINC000880295313 590989289 /nfs/dbraw/zinc/98/92/89/590989289.db2.gz JWBVFNTVTPONEU-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CF)C1 ZINC000880298730 590992223 /nfs/dbraw/zinc/99/22/23/590992223.db2.gz JCLGAOYDOYBREA-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](CF)C1 ZINC000880298730 590992225 /nfs/dbraw/zinc/99/22/25/590992225.db2.gz JCLGAOYDOYBREA-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCNCC1)C2 ZINC000129220363 591270545 /nfs/dbraw/zinc/27/05/45/591270545.db2.gz AESJTXFICXVWMF-CVEARBPZSA-N 1 3 244.382 2.276 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883424102 591658302 /nfs/dbraw/zinc/65/83/02/591658302.db2.gz GBEXPGHCUCBGQQ-TUAOUCFPSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1N ZINC000883430017 591661548 /nfs/dbraw/zinc/66/15/48/591661548.db2.gz LKRBPKBBQLJCIT-GMTAPVOTSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1N ZINC000883430017 591661549 /nfs/dbraw/zinc/66/15/49/591661549.db2.gz LKRBPKBBQLJCIT-GMTAPVOTSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CC(C)(C)OC1(C)C ZINC000883429845 591662145 /nfs/dbraw/zinc/66/21/45/591662145.db2.gz GFSTXTXNBNSZLP-TUAOUCFPSA-N 1 3 240.391 2.002 20 0 BEADHO Cc1ccccc1OCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000883441983 591669430 /nfs/dbraw/zinc/66/94/30/591669430.db2.gz BSJZBCOKXWCMMZ-KGLIPLIRSA-N 1 3 248.370 2.089 20 0 BEADHO c1ccc2c(c1)nccc2NC[C@H]1CC[NH2+]C1 ZINC000133796558 591858310 /nfs/dbraw/zinc/85/83/10/591858310.db2.gz FRKYBGMXLGMGFZ-NSHDSACASA-N 1 3 227.311 2.256 20 0 BEADHO CN(CCF)[C@H]1CC[C@H]([N@H+](C)CCF)CC1 ZINC000886389748 592222231 /nfs/dbraw/zinc/22/22/31/592222231.db2.gz WJGBMHJDAAJJPB-HAQNSBGRSA-N 1 3 234.334 2.100 20 0 BEADHO CN(CCF)[C@H]1CC[C@H]([N@@H+](C)CCF)CC1 ZINC000886389748 592222233 /nfs/dbraw/zinc/22/22/33/592222233.db2.gz WJGBMHJDAAJJPB-HAQNSBGRSA-N 1 3 234.334 2.100 20 0 BEADHO CC(C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131182 592449510 /nfs/dbraw/zinc/44/95/10/592449510.db2.gz SCQXCLSYZFLMOY-GFCCVEGCSA-N 1 3 219.332 2.001 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1 ZINC000223645458 592537413 /nfs/dbraw/zinc/53/74/13/592537413.db2.gz ZYJNXGDTPNCJHR-MBNYWOFBSA-N 1 3 218.344 2.335 20 0 BEADHO Cc1cc2[nH]ccc2c(N2CCC[C@@H]([NH3+])[C@H]2C)n1 ZINC001157740996 970763854 /nfs/dbraw/zinc/76/38/54/970763854.db2.gz JDQYQBNFJDWLDV-ZYHUDNBSSA-N 1 3 244.342 2.187 20 0 BEADHO C[C@@]1(CC[NH2+][C@H]2CCNC23CCC3)CC1(F)F ZINC000925709007 634405835 /nfs/dbraw/zinc/40/58/35/634405835.db2.gz NFABHHGITHXFHG-WDEREUQCSA-N 1 3 244.329 2.296 20 0 BEADHO [NH3+]CC[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000125546461 634539864 /nfs/dbraw/zinc/53/98/64/634539864.db2.gz LZXFCZHVMWBTOP-JTQLQIEISA-N 1 3 240.297 2.136 20 0 BEADHO CC[C@H](NC[C@H]1C=CCC1)[C@@H]1CCC[NH2+]1 ZINC000925731451 634562659 /nfs/dbraw/zinc/56/26/59/634562659.db2.gz KSEGKQQYKIEFDB-AVGNSLFASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925821677 635399033 /nfs/dbraw/zinc/39/90/33/635399033.db2.gz HNRLNZBDFFQXFB-VVRFCBCGSA-N 1 3 248.414 2.397 20 0 BEADHO C[N@H+](CCC1CC1)C[C@]1(C)CCCNC1 ZINC000308810327 631664156 /nfs/dbraw/zinc/66/41/56/631664156.db2.gz CCVVCUSVWSKDJS-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@@H+](CCC1CC1)C[C@]1(C)CCCNC1 ZINC000308810327 631664159 /nfs/dbraw/zinc/66/41/59/631664159.db2.gz CCVVCUSVWSKDJS-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CN(CCC1CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000308810327 631664162 /nfs/dbraw/zinc/66/41/62/631664162.db2.gz CCVVCUSVWSKDJS-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CS[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000235134593 631985673 /nfs/dbraw/zinc/98/56/73/631985673.db2.gz WYYOEWLPOHLWOH-NEPJUHHUSA-N 1 3 228.405 2.002 20 0 BEADHO CSC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCC1 ZINC000235116631 632008776 /nfs/dbraw/zinc/00/87/76/632008776.db2.gz JRPPMSVVLUEXAI-RYUDHWBXSA-N 1 3 242.432 2.379 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](CN)C2)C1 ZINC000084344527 632637628 /nfs/dbraw/zinc/63/76/28/632637628.db2.gz KXQMSPQWDLBSJD-JHJVBQTASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](CN)C2)C1 ZINC000084344527 632637632 /nfs/dbraw/zinc/63/76/32/632637632.db2.gz KXQMSPQWDLBSJD-JHJVBQTASA-N 1 3 210.365 2.093 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236238070 632769167 /nfs/dbraw/zinc/76/91/67/632769167.db2.gz QJJCELYJVZYYEX-GDBMZVCRSA-N 1 3 244.382 2.261 20 0 BEADHO C[C@H]1CC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000309761835 633243309 /nfs/dbraw/zinc/24/33/09/633243309.db2.gz IVMRXQJOHKBYEF-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](CC[NH2+][C@@H](C)C1CC(F)(F)C1)N(C)C ZINC000895291031 636132353 /nfs/dbraw/zinc/13/23/53/636132353.db2.gz YQDMKQXVHUGFLS-UWVGGRQHSA-N 1 3 234.334 2.350 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328420704 633762467 /nfs/dbraw/zinc/76/24/67/633762467.db2.gz JVHYNKGRAPVNNE-CAJFQKGDSA-N 1 3 234.387 2.009 20 0 BEADHO CCC(C)(C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328460801 633765622 /nfs/dbraw/zinc/76/56/22/633765622.db2.gz UNMIBZFSQFCIHR-JZRPKSSGSA-N 1 3 222.376 2.009 20 0 BEADHO CC(C)CC[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328466396 633768911 /nfs/dbraw/zinc/76/89/11/633768911.db2.gz XIIMRIUWHVZLDD-XDSHMYFISA-N 1 3 236.403 2.397 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCC1 ZINC000328549086 633773975 /nfs/dbraw/zinc/77/39/75/633773975.db2.gz QSSOWMZTGZBOHQ-SVJDTZHWSA-N 1 3 234.387 2.151 20 0 BEADHO C1CC2(C1)[NH2+]CC[C@H]2N[C@H]1CC2CCC1CC2 ZINC000925675900 634263031 /nfs/dbraw/zinc/26/30/31/634263031.db2.gz HDWFSKYGQBKRSC-CLRIEMFWSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC2(C1)NCC[C@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000925675900 634263036 /nfs/dbraw/zinc/26/30/36/634263036.db2.gz HDWFSKYGQBKRSC-CLRIEMFWSA-N 1 3 234.387 2.439 20 0 BEADHO FC1(F)CC(CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925684979 634294807 /nfs/dbraw/zinc/29/48/07/634294807.db2.gz KARURDWAVCVFTH-NSHDSACASA-N 1 3 244.329 2.296 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925772847 635217716 /nfs/dbraw/zinc/21/77/16/635217716.db2.gz KFSMWIXIYBTZAC-XZBVAUNFSA-N 1 3 236.403 2.399 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000094522062 635367355 /nfs/dbraw/zinc/36/73/55/635367355.db2.gz VJBMVZVMOBFTNT-ZDUSSCGKSA-N 1 3 230.355 2.345 20 0 BEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCc1cccc(F)c1)C2 ZINC000903841641 637385179 /nfs/dbraw/zinc/38/51/79/637385179.db2.gz YXKSLJXENFAEGE-CFVMTHIKSA-N 1 3 248.345 2.180 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+]C1CC(N)C1 ZINC000906510787 638184338 /nfs/dbraw/zinc/18/43/38/638184338.db2.gz XDDSTAHYIAENGA-LRVUVFPRSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1C[C@H](N)C1 ZINC000906518351 638186985 /nfs/dbraw/zinc/18/69/85/638186985.db2.gz XDDSTAHYIAENGA-BPLDGKMQSA-N 1 3 232.371 2.335 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1 ZINC000906517553 638188317 /nfs/dbraw/zinc/18/83/17/638188317.db2.gz GZQGMRDZYOHYRW-ZEVCUBLFSA-N 1 3 234.387 2.138 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000129393494 639986107 /nfs/dbraw/zinc/98/61/07/639986107.db2.gz UDXLALDOCZBSJW-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CCN1CCC(C)([NH+](C)C)CC1 ZINC000931349771 640167995 /nfs/dbraw/zinc/16/79/95/640167995.db2.gz KNCPGVSIDAYTDZ-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)CC[NH+]1CCC(C)(N(C)C)CC1 ZINC000931349771 640167998 /nfs/dbraw/zinc/16/79/98/640167998.db2.gz KNCPGVSIDAYTDZ-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO COCCCCC[NH+]1CCC(C)(N(C)C)CC1 ZINC000931350709 640168382 /nfs/dbraw/zinc/16/83/82/640168382.db2.gz VAUHVQYOPZKIMG-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 ZINC000931438814 640203530 /nfs/dbraw/zinc/20/35/30/640203530.db2.gz PNYBBUVZGQPLHK-OLZOCXBDSA-N 1 3 236.384 2.132 20 0 BEADHO C[N@H+]1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 ZINC000931438814 640203534 /nfs/dbraw/zinc/20/35/34/640203534.db2.gz PNYBBUVZGQPLHK-OLZOCXBDSA-N 1 3 236.384 2.132 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000931764336 640356922 /nfs/dbraw/zinc/35/69/22/640356922.db2.gz PTIKMRHNJDXJOM-STQMWFEESA-N 1 3 245.370 2.391 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000931764336 640356931 /nfs/dbraw/zinc/35/69/31/640356931.db2.gz PTIKMRHNJDXJOM-STQMWFEESA-N 1 3 245.370 2.391 20 0 BEADHO CSCC[C@@H](C)N(C)C[C@]1(C)CCC[NH2+]C1 ZINC000156903975 640516660 /nfs/dbraw/zinc/51/66/60/640516660.db2.gz CITRJNVQDBHUGK-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000156903975 640516664 /nfs/dbraw/zinc/51/66/64/640516664.db2.gz CITRJNVQDBHUGK-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000156903975 640516667 /nfs/dbraw/zinc/51/66/67/640516667.db2.gz CITRJNVQDBHUGK-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000227055712 640813685 /nfs/dbraw/zinc/81/36/85/640813685.db2.gz CNATUTXXMAPJHG-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000227126923 640816430 /nfs/dbraw/zinc/81/64/30/640816430.db2.gz BZASSFVPXIYXQK-RDBSUJKOSA-N 1 3 222.376 2.450 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000227129171 640816783 /nfs/dbraw/zinc/81/67/83/640816783.db2.gz CCYUQOXJJFPZIR-WCFLWFBJSA-N 1 3 234.343 2.374 20 0 BEADHO Cc1ccc(OCCN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000228202463 640866745 /nfs/dbraw/zinc/86/67/45/640866745.db2.gz LLBUTRIDTFBXIY-UONOGXRCSA-N 1 3 248.370 2.043 20 0 BEADHO CC[N@H+](CC1CCC1)C[C@]1(C)CCCNC1 ZINC000230321329 641047397 /nfs/dbraw/zinc/04/73/97/641047397.db2.gz RSZNYUIVEAMPQU-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC[N@@H+](CC1CCC1)C[C@]1(C)CCCNC1 ZINC000230321329 641047399 /nfs/dbraw/zinc/04/73/99/641047399.db2.gz RSZNYUIVEAMPQU-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@]1(C[NH2+]C2CCCCC2)CCCNC1 ZINC000062862196 641100809 /nfs/dbraw/zinc/10/08/09/641100809.db2.gz BFKGDUNWFLGRCR-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000062861643 641101344 /nfs/dbraw/zinc/10/13/44/641101344.db2.gz OZCISRRGALPMJP-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000062861643 641101347 /nfs/dbraw/zinc/10/13/47/641101347.db2.gz OZCISRRGALPMJP-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@]1(CN2CCSC(C)(C)CC2)CC[NH2+]C1 ZINC000231052900 641131792 /nfs/dbraw/zinc/13/17/92/641131792.db2.gz QGKIBKGZEVZAKE-CYBMUJFWSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC[N@H+](CC2(C)CCC2)C[C@H]1CN ZINC000261530998 641427659 /nfs/dbraw/zinc/42/76/59/641427659.db2.gz DVZQPQFMUGUBGV-NWDGAFQWSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CC2(C)CCC2)C[C@H]1CN ZINC000261530998 641427664 /nfs/dbraw/zinc/42/76/64/641427664.db2.gz DVZQPQFMUGUBGV-NWDGAFQWSA-N 1 3 210.365 2.093 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000089147134 641465931 /nfs/dbraw/zinc/46/59/31/641465931.db2.gz NOBBYMZAKNGVTO-JSGCOSHPSA-N 1 3 236.334 2.085 20 0 BEADHO COc1cccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149922 641477301 /nfs/dbraw/zinc/47/73/01/641477301.db2.gz ADQABIYVQWQTQO-LNSITVRQSA-N 1 3 248.370 2.473 20 0 BEADHO Cl/C=C\CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000214377206 641673398 /nfs/dbraw/zinc/67/33/98/641673398.db2.gz IFEJWLIIBVHAGW-DBGMKRSLSA-N 1 3 228.767 2.203 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CCC(=O)CC)C1 ZINC000190263573 641854765 /nfs/dbraw/zinc/85/47/65/641854765.db2.gz MFOKSQLPTMIQIS-CYBMUJFWSA-N 1 3 240.391 2.019 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(=O)CC)C1 ZINC000190263573 641854767 /nfs/dbraw/zinc/85/47/67/641854767.db2.gz MFOKSQLPTMIQIS-CYBMUJFWSA-N 1 3 240.391 2.019 20 0 BEADHO CC1(C[NH2+]C2CCNCC2)CCCCC1 ZINC000232848082 641870948 /nfs/dbraw/zinc/87/09/48/641870948.db2.gz UHEXOXRDMSQXQV-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO CC(C)C[C@H]1CC[N@H+](CCCNC2CC2)C1 ZINC000307814701 642315716 /nfs/dbraw/zinc/31/57/16/642315716.db2.gz LFTODWSNWCWBTB-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC000307814701 642315727 /nfs/dbraw/zinc/31/57/27/642315727.db2.gz LFTODWSNWCWBTB-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC1(C)CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000069794543 642907699 /nfs/dbraw/zinc/90/76/99/642907699.db2.gz ACXVFMOGXLWQFG-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000069794543 642907705 /nfs/dbraw/zinc/90/77/05/642907705.db2.gz ACXVFMOGXLWQFG-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccc(CNCCC(C)(C)[NH3+])s1 ZINC000082773307 643525339 /nfs/dbraw/zinc/52/53/39/643525339.db2.gz GXSSSACNUBVEGL-UHFFFAOYSA-N 1 3 212.362 2.274 20 0 BEADHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCC1 ZINC000084222019 643649921 /nfs/dbraw/zinc/64/99/21/643649921.db2.gz WTFHSDCPEGQPSB-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000084218029 643651967 /nfs/dbraw/zinc/65/19/67/643651967.db2.gz FWRCVRNRZGGPKZ-AAEUAGOBSA-N 1 3 210.365 2.426 20 0 BEADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000086727886 644167158 /nfs/dbraw/zinc/16/71/58/644167158.db2.gz SJVXEZYSOZHYDR-LPEHRKFASA-N 1 3 236.281 2.059 20 0 BEADHO C(NC(C1CC1)C1CC1)[C@@H]1CCCCC[NH2+]1 ZINC000081080942 644307692 /nfs/dbraw/zinc/30/76/92/644307692.db2.gz GZDFDLWUBNZPTC-ZDUSSCGKSA-N 1 3 222.376 2.297 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000084217593 644420114 /nfs/dbraw/zinc/42/01/14/644420114.db2.gz HAOOSEZGYOBHKQ-POOIEITISA-N 1 3 210.365 2.282 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1 ZINC000089139603 644536249 /nfs/dbraw/zinc/53/62/49/644536249.db2.gz YXLYJNRXNWEPQH-JSGCOSHPSA-N 1 3 236.334 2.433 20 0 BEADHO CN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000089749194 644564715 /nfs/dbraw/zinc/56/47/15/644564715.db2.gz MHJPPKKOIWHZNJ-GFCCVEGCSA-N 1 3 236.334 2.257 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2CN)C[C@]1(F)Cl ZINC000844926577 645350100 /nfs/dbraw/zinc/35/01/00/645350100.db2.gz YULIPSJORMGUFA-WHOHXGKFSA-N 1 3 248.773 2.408 20 0 BEADHO CC[C@@H]1C[C@H]1CN1CCC([NH+](C)C)CC1 ZINC000929264823 646046847 /nfs/dbraw/zinc/04/68/47/646046847.db2.gz VLYUHKFSQAAYOO-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccccn1 ZINC000924530067 646051249 /nfs/dbraw/zinc/05/12/49/646051249.db2.gz ZIEABMYNCPCFNP-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925493397 646299393 /nfs/dbraw/zinc/29/93/93/646299393.db2.gz XMMJOLSBMOSNJY-SAXRGWBVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925493400 646300008 /nfs/dbraw/zinc/30/00/08/646300008.db2.gz XMMJOLSBMOSNJY-ZZVYKPCYSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000929791584 646321194 /nfs/dbraw/zinc/32/11/94/646321194.db2.gz UBGVYPLTJLJZAM-MCIONIFRSA-N 1 3 224.392 2.306 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000929791584 646321198 /nfs/dbraw/zinc/32/11/98/646321198.db2.gz UBGVYPLTJLJZAM-MCIONIFRSA-N 1 3 224.392 2.306 20 0 BEADHO CCC1(C[NH2+][C@H]2CCNC23CCC3)CCC1 ZINC000925543607 646324898 /nfs/dbraw/zinc/32/48/98/646324898.db2.gz VPTLYNILSMONPV-LBPRGKRZSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]([NH3+])[C@@H](NCC1CCOCC1)c1ccccc1 ZINC000925546365 646326949 /nfs/dbraw/zinc/32/69/49/646326949.db2.gz KHXIZYULRAQXMP-IUODEOHRSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@H]([NH3+])[C@H](NCC1CCOCC1)c1ccccc1 ZINC000925546367 646327041 /nfs/dbraw/zinc/32/70/41/646327041.db2.gz KHXIZYULRAQXMP-WFASDCNBSA-N 1 3 248.370 2.091 20 0 BEADHO CCCC1(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925586340 646346758 /nfs/dbraw/zinc/34/67/58/646346758.db2.gz CMVUHKAREUFXFW-GFCCVEGCSA-N 1 3 222.376 2.441 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2ccco2)C1 ZINC000925611293 646359872 /nfs/dbraw/zinc/35/98/72/646359872.db2.gz LUICVKWAQFABPO-VXGBXAGGSA-N 1 3 236.359 2.318 20 0 BEADHO FCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925621068 646367703 /nfs/dbraw/zinc/36/77/03/646367703.db2.gz YHEWPQARQHKHSR-QWHCGFSZSA-N 1 3 228.355 2.104 20 0 BEADHO C1CC12C[C@@H]2[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925703480 646427477 /nfs/dbraw/zinc/42/74/77/646427477.db2.gz GEJBGHPKNCCJOV-MJBXVCDLSA-N 1 3 234.387 2.297 20 0 BEADHO CC1(C)C[C@]1(C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716879 646440704 /nfs/dbraw/zinc/44/07/04/646440704.db2.gz RNXWKDPQJZVJPT-SCVCMEIPSA-N 1 3 208.349 2.035 20 0 BEADHO Cc1ncccc1CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925718991 646442446 /nfs/dbraw/zinc/44/24/46/646442446.db2.gz PBHUBFGODSDBBO-KGLIPLIRSA-N 1 3 247.386 2.386 20 0 BEADHO CC(C)(F)CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925723880 646450002 /nfs/dbraw/zinc/45/00/02/646450002.db2.gz DDXJPGPQWXTNOJ-VHSXEESVSA-N 1 3 216.344 2.230 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)CC(F)F ZINC000925735361 646453351 /nfs/dbraw/zinc/45/33/51/646453351.db2.gz ZMIVAINKEQEYGS-NXEZZACHSA-N 1 3 234.334 2.385 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CNC1 ZINC000925736692 646460320 /nfs/dbraw/zinc/46/03/20/646460320.db2.gz NKINWFACRIDFJV-KOLCDFICSA-N 1 3 232.318 2.009 20 0 BEADHO COc1ccc2c(c1)[C@@H](NCCC(C)(C)[NH3+])CC2 ZINC000925741509 646462566 /nfs/dbraw/zinc/46/25/66/646462566.db2.gz TYYVXXNJJRAFRT-AWEZNQCLSA-N 1 3 248.370 2.400 20 0 BEADHO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000925782229 646479090 /nfs/dbraw/zinc/47/90/90/646479090.db2.gz ITYCLHHQZYSIEA-UMSGYPCISA-N 1 3 212.381 2.399 20 0 BEADHO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000925782226 646479498 /nfs/dbraw/zinc/47/94/98/646479498.db2.gz ITYCLHHQZYSIEA-FDYHWXHSSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000925786109 646483415 /nfs/dbraw/zinc/48/34/15/646483415.db2.gz NYILBJNHHPPZDD-MLGHIDQZSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000925786109 646483420 /nfs/dbraw/zinc/48/34/20/646483420.db2.gz NYILBJNHHPPZDD-MLGHIDQZSA-N 1 3 210.365 2.009 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@@]12C[C@@H]1CCCC2 ZINC000925802642 646488542 /nfs/dbraw/zinc/48/85/42/646488542.db2.gz PIKWHFJOGRRFBW-MELADBBJSA-N 1 3 234.387 2.441 20 0 BEADHO C1=CCC(CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925834597 646503050 /nfs/dbraw/zinc/50/30/50/646503050.db2.gz ZERHZPCZRZBNQV-ZDUSSCGKSA-N 1 3 220.360 2.217 20 0 BEADHO C1CC2(C1)C[C@H]([NH2+]C1CCNCC1)CCS2 ZINC000925861819 646514710 /nfs/dbraw/zinc/51/47/10/646514710.db2.gz TYQOITCQOQSPPX-GFCCVEGCSA-N 1 3 240.416 2.146 20 0 BEADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)C(C)C ZINC000925875111 646525931 /nfs/dbraw/zinc/52/59/31/646525931.db2.gz ZRAWAQILYCUPEK-MELADBBJSA-N 1 3 242.407 2.012 20 0 BEADHO C[C@H](C[NH2+]C1CC2(C1)CCCC2)CN(C)C ZINC000926473624 646653791 /nfs/dbraw/zinc/65/37/91/646653791.db2.gz MKYSAYGICRPJLU-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@@H]1C)CN1CCCC1 ZINC000393727808 711676682 /nfs/dbraw/zinc/67/66/82/711676682.db2.gz APFGDIIJNQNMRP-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](NC[C@]12C[C@H]1CCC2)[C@H]1CCCC[NH2+]1 ZINC000925879808 711761841 /nfs/dbraw/zinc/76/18/41/711761841.db2.gz CNLCJTIYFZOPSW-DGAVXFQQSA-N 1 3 222.376 2.297 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000706929183 712161375 /nfs/dbraw/zinc/16/13/75/712161375.db2.gz OTPLVKLXKORXCO-TUUUFIMRSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000706929183 712161377 /nfs/dbraw/zinc/16/13/77/712161377.db2.gz OTPLVKLXKORXCO-TUUUFIMRSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000706927321 712161660 /nfs/dbraw/zinc/16/16/60/712161660.db2.gz GSQRQQHTWZHUQP-QCXCNERSSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000706927321 712161662 /nfs/dbraw/zinc/16/16/62/712161662.db2.gz GSQRQQHTWZHUQP-QCXCNERSSA-N 1 3 240.416 2.097 20 0 BEADHO CC1(C)CCC(C[NH2+]C2CC(N)C2)CC1 ZINC000379781378 712398804 /nfs/dbraw/zinc/39/88/04/712398804.db2.gz GDQIEGNTPLYURA-UHFFFAOYSA-N 1 3 210.365 2.282 20 0 BEADHO C=C/C=C/CC[NH2+][C@@H]1CCNCC1(C)C ZINC000713464405 712460621 /nfs/dbraw/zinc/46/06/21/712460621.db2.gz JSGYHVNZIVNYSQ-BTDICHCPSA-N 1 3 208.349 2.096 20 0 BEADHO CCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000037240446 712556623 /nfs/dbraw/zinc/55/66/23/712556623.db2.gz FJCWISAOUQSWAH-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CC(F)(F)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000718583596 712775482 /nfs/dbraw/zinc/77/54/82/712775482.db2.gz LKURPOVDUQNLLF-AAEUAGOBSA-N 1 3 246.345 2.483 20 0 BEADHO CC(F)(F)CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000718583596 712775484 /nfs/dbraw/zinc/77/54/84/712775484.db2.gz LKURPOVDUQNLLF-AAEUAGOBSA-N 1 3 246.345 2.483 20 0 BEADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000718845834 712785968 /nfs/dbraw/zinc/78/59/68/712785968.db2.gz XJVJNUBIDHMDND-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO CSCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000719266156 712802187 /nfs/dbraw/zinc/80/21/87/712802187.db2.gz JOJRXNYENSCAEZ-CYBMUJFWSA-N 1 3 242.432 2.061 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC000252965020 1166760251 /nfs/dbraw/zinc/76/02/51/1166760251.db2.gz WWQYFFWTGKXLIQ-AGIUHOORSA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC000252965020 1166760254 /nfs/dbraw/zinc/76/02/54/1166760254.db2.gz WWQYFFWTGKXLIQ-AGIUHOORSA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000381531624 710651421 /nfs/dbraw/zinc/65/14/21/710651421.db2.gz ZIPXNWAKXMKKGR-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO CCO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000721238858 712900071 /nfs/dbraw/zinc/90/00/71/712900071.db2.gz LPLHYJAVYKNRPS-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000723081857 710726559 /nfs/dbraw/zinc/72/65/59/710726559.db2.gz WPJIOWAVRJUGPP-FVCCEPFGSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000723081857 710726563 /nfs/dbraw/zinc/72/65/63/710726563.db2.gz WPJIOWAVRJUGPP-FVCCEPFGSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000723469761 710727997 /nfs/dbraw/zinc/72/79/97/710727997.db2.gz IALMBPNPHJGOON-FDYHWXHSSA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)C(C)(C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383308272 710979965 /nfs/dbraw/zinc/97/99/65/710979965.db2.gz NBHWITJQSAUHBO-MEBFFEOJSA-N 1 3 236.403 2.255 20 0 BEADHO CC(C)C(C)(C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383308274 710980313 /nfs/dbraw/zinc/98/03/13/710980313.db2.gz NBHWITJQSAUHBO-QSLWVIQJSA-N 1 3 236.403 2.255 20 0 BEADHO C[C@H](CC(C)(C)C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000384575868 710994405 /nfs/dbraw/zinc/99/44/05/710994405.db2.gz VYLJMQVGKONMCA-WFQJECDVSA-N 1 3 236.403 2.397 20 0 BEADHO C[C@H]([N@H+](C)CCCNC1CC1)C1(C)CC1 ZINC000385301950 711009759 /nfs/dbraw/zinc/00/97/59/711009759.db2.gz NCWRSOBUHYJHEI-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]([N@@H+](C)CCCNC1CC1)C1(C)CC1 ZINC000385301950 711009762 /nfs/dbraw/zinc/00/97/62/711009762.db2.gz NCWRSOBUHYJHEI-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](N(C)CCC[NH2+]C1CC1)C1(C)CC1 ZINC000385301950 711009764 /nfs/dbraw/zinc/00/97/64/711009764.db2.gz NCWRSOBUHYJHEI-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO CC[N@H+](CCC1CC1)C[C@@]1(C)CCCNC1 ZINC000385490481 711012695 /nfs/dbraw/zinc/01/26/95/711012695.db2.gz DZLNRYNRNUWMHW-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC[N@@H+](CCC1CC1)C[C@@]1(C)CCCNC1 ZINC000385490481 711012698 /nfs/dbraw/zinc/01/26/98/711012698.db2.gz DZLNRYNRNUWMHW-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385486676 711013586 /nfs/dbraw/zinc/01/35/86/711013586.db2.gz HETWZSJHWLNYBP-GBIHRFPISA-N 1 3 248.414 2.399 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)[C@H]1C ZINC000380702824 712902531 /nfs/dbraw/zinc/90/25/31/712902531.db2.gz XSIZJJVEFUAALL-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)[C@H]1C ZINC000380702824 712902532 /nfs/dbraw/zinc/90/25/32/712902532.db2.gz XSIZJJVEFUAALL-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]1C ZINC000385667813 711016265 /nfs/dbraw/zinc/01/62/65/711016265.db2.gz YSVWIGMYPGDVSZ-VSPOPZGASA-N 1 3 248.414 2.397 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000389618888 711082480 /nfs/dbraw/zinc/08/24/80/711082480.db2.gz HVAMZKZPMZIBPM-VOAKCMCISA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)C[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392871601 711153465 /nfs/dbraw/zinc/15/34/65/711153465.db2.gz JLNYROZZTTZURR-SNIKSBKOSA-N 1 3 222.376 2.007 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCC(F)(F)F ZINC000396615730 711360794 /nfs/dbraw/zinc/36/07/94/711360794.db2.gz GEPNKVHGGKTQNG-DTWKUNHWSA-N 1 3 224.270 2.059 20 0 BEADHO CC[C@@]1(C)CCN(CCC[NH2+]C2CC2)C1 ZINC000399386793 711428745 /nfs/dbraw/zinc/42/87/45/711428745.db2.gz RJOVBKCXQDLUER-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@]1(C)CC[N@H+](CCCNC2CC2)C1 ZINC000399386793 711428748 /nfs/dbraw/zinc/42/87/48/711428748.db2.gz RJOVBKCXQDLUER-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@]1(C)CC[N@@H+](CCCNC2CC2)C1 ZINC000399386793 711428750 /nfs/dbraw/zinc/42/87/50/711428750.db2.gz RJOVBKCXQDLUER-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000723081858 710725992 /nfs/dbraw/zinc/72/59/92/710725992.db2.gz WPJIOWAVRJUGPP-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000723081858 710725995 /nfs/dbraw/zinc/72/59/95/710725995.db2.gz WPJIOWAVRJUGPP-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1[C@H](C)CC[N@@H+]1CCCNC1CC1 ZINC000383629486 710984970 /nfs/dbraw/zinc/98/49/70/710984970.db2.gz VPBUXESKMDTAMC-YPMHNXCESA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]1[C@H](C)CC[N@H+]1CCCNC1CC1 ZINC000383629486 710984973 /nfs/dbraw/zinc/98/49/73/710984973.db2.gz VPBUXESKMDTAMC-YPMHNXCESA-N 1 3 210.365 2.249 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386552791 711033138 /nfs/dbraw/zinc/03/31/38/711033138.db2.gz HGUTYKXJBXOMLM-WUHRBBMRSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CCCC2CC2)C[C@@H]1CN ZINC000397476380 711384540 /nfs/dbraw/zinc/38/45/40/711384540.db2.gz HFQJAQPCDHNTBE-BZPMIXESSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC2)C[C@@H]1CN ZINC000397476380 711384543 /nfs/dbraw/zinc/38/45/43/711384543.db2.gz HFQJAQPCDHNTBE-BZPMIXESSA-N 1 3 224.392 2.482 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCCC1 ZINC000383232509 711481613 /nfs/dbraw/zinc/48/16/13/711481613.db2.gz BNUYGRPQEJXIQG-LXFSFDBISA-N 1 3 234.387 2.153 20 0 BEADHO C=C/C=C/CC[N@@H+]1CCCC[C@H]1CCN ZINC000713734693 711494452 /nfs/dbraw/zinc/49/44/52/711494452.db2.gz LGWNHINBKOSNGU-OOPCZODUSA-N 1 3 208.349 2.322 20 0 BEADHO C=C/C=C/CC[N@H+]1CCCC[C@H]1CCN ZINC000713734693 711494450 /nfs/dbraw/zinc/49/44/50/711494450.db2.gz LGWNHINBKOSNGU-OOPCZODUSA-N 1 3 208.349 2.322 20 0 BEADHO C([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CNC1 ZINC000723659714 711531928 /nfs/dbraw/zinc/53/19/28/711531928.db2.gz VMXVIGOOHJIIJV-BFHYXJOUSA-N 1 3 222.376 2.154 20 0 BEADHO C1CC12CCC[C@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000925723948 711727132 /nfs/dbraw/zinc/72/71/32/711727132.db2.gz FQVDVSMJRHRJCV-VXGBXAGGSA-N 1 3 220.360 2.193 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCNC1CC1 ZINC000399137194 711744337 /nfs/dbraw/zinc/74/43/37/711744337.db2.gz XPEFBDVWXYJPFC-DGCLKSJQSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCNC1CC1 ZINC000399137194 711744338 /nfs/dbraw/zinc/74/43/38/711744338.db2.gz XPEFBDVWXYJPFC-DGCLKSJQSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000721903357 711813339 /nfs/dbraw/zinc/81/33/39/711813339.db2.gz ICJJBQHLXTUZHK-MEWQQHAOSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700799736 712005777 /nfs/dbraw/zinc/00/57/77/712005777.db2.gz LLUCWCFAKHKZPA-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CC1(C)CO[C@@H](C[N@@H+]2CCCCC[C@H](N)C2)C1 ZINC000708337911 712189391 /nfs/dbraw/zinc/18/93/91/712189391.db2.gz QAWJTSAPKBPNFJ-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CO[C@@H](C[N@H+]2CCCCC[C@H](N)C2)C1 ZINC000708337911 712189394 /nfs/dbraw/zinc/18/93/94/712189394.db2.gz QAWJTSAPKBPNFJ-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)[C@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000709019472 712206251 /nfs/dbraw/zinc/20/62/51/712206251.db2.gz MQJCIZOTSARXET-CQSZACIVSA-N 1 3 242.407 2.252 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712642612 712439148 /nfs/dbraw/zinc/43/91/48/712439148.db2.gz NDMSPCXXLAIFDJ-RDBSUJKOSA-N 1 3 236.403 2.400 20 0 BEADHO C=C/C=C/CC[N@H+]1CCCC[C@@H]1CCN ZINC000713734691 712470398 /nfs/dbraw/zinc/47/03/98/712470398.db2.gz LGWNHINBKOSNGU-ITDFMYJTSA-N 1 3 208.349 2.322 20 0 BEADHO C=C/C=C/CC[N@@H+]1CCCC[C@@H]1CCN ZINC000713734691 712470400 /nfs/dbraw/zinc/47/04/00/712470400.db2.gz LGWNHINBKOSNGU-ITDFMYJTSA-N 1 3 208.349 2.322 20 0 BEADHO C=C/C=C\CCN1CCC[C@@H](C[NH2+]C)C1 ZINC000713737166 712470786 /nfs/dbraw/zinc/47/07/86/712470786.db2.gz ZSNTWEOBNXZUKP-ZFDPJTLLSA-N 1 3 208.349 2.050 20 0 BEADHO C=C/C=C/CC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000713735225 712470823 /nfs/dbraw/zinc/47/08/23/712470823.db2.gz NIMNBNQVYKRJBF-QITAHTHBSA-N 1 3 208.349 2.035 20 0 BEADHO C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000713735225 712470824 /nfs/dbraw/zinc/47/08/24/712470824.db2.gz NIMNBNQVYKRJBF-QITAHTHBSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1CN ZINC000714918428 712499889 /nfs/dbraw/zinc/49/98/89/712499889.db2.gz CSIHCHRKEMKQOI-ATGSNQNLSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1CN ZINC000714918428 712499891 /nfs/dbraw/zinc/49/98/91/712499891.db2.gz CSIHCHRKEMKQOI-ATGSNQNLSA-N 1 3 236.403 2.339 20 0 BEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccsc1 ZINC000717310710 712646443 /nfs/dbraw/zinc/64/64/43/712646443.db2.gz ULSZIBKQCCKNCF-JTQLQIEISA-N 1 3 246.326 2.083 20 0 BEADHO CC[NH+]1CCC(CNCc2cc(C)co2)CC1 ZINC000718026374 712736403 /nfs/dbraw/zinc/73/64/03/712736403.db2.gz OLYJHISIVXGWFX-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000038041117 712801420 /nfs/dbraw/zinc/80/14/20/712801420.db2.gz VANCXQXZPWKDJR-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000720775852 712864612 /nfs/dbraw/zinc/86/46/12/712864612.db2.gz ALRRFOZDAJYPEO-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO COc1ccc(NC(=N)SCC[NH3+])c(C)c1 ZINC001167912358 956876059 /nfs/dbraw/zinc/87/60/59/956876059.db2.gz CQTORFOQJXKDIS-UHFFFAOYSA-N 1 3 239.344 2.042 20 0 BEADHO C[C@@H]1CN(c2cc3[nH]ccc3c[nH+]2)[C@H](C)CN1C ZINC001164633106 719162382 /nfs/dbraw/zinc/16/23/82/719162382.db2.gz GQCPUZRVXALSJZ-GHMZBOCLSA-N 1 3 244.342 2.092 20 0 BEADHO C[C@@H]1CC[C@@H](NCC2CC(C)(C)C2)C[NH2+]1 ZINC000706558962 957973658 /nfs/dbraw/zinc/97/36/58/957973658.db2.gz DPUVXSNWBROHCR-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[NH+](C)[C@H]1CCCN(c2cc3[nH]ccc3cn2)C1 ZINC001165034497 721887125 /nfs/dbraw/zinc/88/71/25/721887125.db2.gz GOMWHMRSWFCTMA-LBPRGKRZSA-N 1 3 244.342 2.093 20 0 BEADHO COC[C@H]1CCCCN1CC(C)(C)C[NH+](C)C ZINC001207275080 958842963 /nfs/dbraw/zinc/84/29/63/958842963.db2.gz JLJTXGCJBBFMRF-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CC[C@H]1CC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000309517384 959899139 /nfs/dbraw/zinc/89/91/39/959899139.db2.gz ZAMQIZUWKCYYKI-RYUDHWBXSA-N 1 3 210.365 2.378 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000695635917 960311829 /nfs/dbraw/zinc/31/18/29/960311829.db2.gz DVDWPICQYNDOAZ-RYUDHWBXSA-N 1 3 244.810 2.468 20 0 BEADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000695635917 960311832 /nfs/dbraw/zinc/31/18/32/960311832.db2.gz DVDWPICQYNDOAZ-RYUDHWBXSA-N 1 3 244.810 2.468 20 0 BEADHO CC(C)C[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000697869429 964594291 /nfs/dbraw/zinc/59/42/91/964594291.db2.gz GXOSROIGSOJFEE-RYUDHWBXSA-N 1 3 200.370 2.351 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H](C)C1)N(C)C ZINC000697878758 964605144 /nfs/dbraw/zinc/60/51/44/964605144.db2.gz LMQCEVGFNWGBSM-UPJWGTAASA-N 1 3 212.381 2.495 20 0 BEADHO CN1CC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC001204018747 966853831 /nfs/dbraw/zinc/85/38/31/966853831.db2.gz RTLIXZQORPHCMD-UHFFFAOYSA-N 1 3 236.384 2.276 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000084127033 966926896 /nfs/dbraw/zinc/92/68/96/966926896.db2.gz IWKCFUXWOQMEID-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000084127033 966926900 /nfs/dbraw/zinc/92/69/00/966926900.db2.gz IWKCFUXWOQMEID-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO CCC(=O)C(C)(C)CN1CCC[C@](C)([NH3+])CC1 ZINC001205256828 967443060 /nfs/dbraw/zinc/44/30/60/967443060.db2.gz QMTRJWYXBMMASJ-AWEZNQCLSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@@H]1C[NH2+]CCN(C2CCC(C)(C)CC2)C1 ZINC000079696783 1166017158 /nfs/dbraw/zinc/01/71/58/1166017158.db2.gz WGNJCBATIMTOND-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO [NH3+]CCCCN1CCc2ccc(Cl)cc2C1 ZINC000082790927 1166080333 /nfs/dbraw/zinc/08/03/33/1166080333.db2.gz NCJJYMLSVRAJJR-UHFFFAOYSA-N 1 3 238.762 2.437 20 0 BEADHO CC[C@@]1(CN[C@@H]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000129396308 1166182855 /nfs/dbraw/zinc/18/28/55/1166182855.db2.gz GJZNXGNGASXMAK-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253196561 1166230081 /nfs/dbraw/zinc/23/00/81/1166230081.db2.gz SWOANKSCHUHPSS-QNWHQSFQSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253196561 1166230087 /nfs/dbraw/zinc/23/00/87/1166230087.db2.gz SWOANKSCHUHPSS-QNWHQSFQSA-N 1 3 212.381 2.338 20 0 BEADHO CCN(C)C1CC[NH+](CCC2CC2)CC1 ZINC001208687284 969196065 /nfs/dbraw/zinc/19/60/65/969196065.db2.gz SBBUTCXKCCQUSD-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CCC[N@H+](CCCN(C)C)Cc1ccc(C)[nH]1 ZINC001209575923 969562577 /nfs/dbraw/zinc/56/25/77/969562577.db2.gz OUGPRTWKDGTCGL-UHFFFAOYSA-N 1 3 237.391 2.487 20 0 BEADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(C)[nH]1 ZINC001209575923 969562579 /nfs/dbraw/zinc/56/25/79/969562579.db2.gz OUGPRTWKDGTCGL-UHFFFAOYSA-N 1 3 237.391 2.487 20 0 BEADHO CN1CCC[C@H]([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516155 969689627 /nfs/dbraw/zinc/68/96/27/969689627.db2.gz JGJREURBUPRARP-STQMWFEESA-N 1 3 228.355 2.295 20 0 BEADHO CN1CCC[C@H]([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516155 969689633 /nfs/dbraw/zinc/68/96/33/969689633.db2.gz JGJREURBUPRARP-STQMWFEESA-N 1 3 228.355 2.295 20 0 BEADHO CCN(C)C1CC[NH+](C2CCSCC2)CC1 ZINC001255094691 969931317 /nfs/dbraw/zinc/93/13/17/969931317.db2.gz FAEGXHQKQNJQKQ-UHFFFAOYSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748724 1166614092 /nfs/dbraw/zinc/61/40/92/1166614092.db2.gz ZMYXJFDBTQJAJP-KOLCDFICSA-N 1 3 232.318 2.104 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748724 1166614096 /nfs/dbraw/zinc/61/40/96/1166614096.db2.gz ZMYXJFDBTQJAJP-KOLCDFICSA-N 1 3 232.318 2.104 20 0 BEADHO C[C@H](CC[NH+](C)C)N[C@H](C)C1(Cl)CC1 ZINC000695665889 1166663459 /nfs/dbraw/zinc/66/34/59/1166663459.db2.gz FFLQEXAOHNDWED-NXEZZACHSA-N 1 3 218.772 2.076 20 0 BEADHO CC[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000252968676 1166774104 /nfs/dbraw/zinc/77/41/04/1166774104.db2.gz YSHLPAJQSFDQCS-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000252968676 1166774109 /nfs/dbraw/zinc/77/41/09/1166774109.db2.gz YSHLPAJQSFDQCS-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255864633 970529103 /nfs/dbraw/zinc/52/91/03/970529103.db2.gz JEIANTKMEYWNCZ-NEPJUHHUSA-N 1 3 238.350 2.283 20 0 BEADHO CC[NH+](CC)CC[C@H](C)n1ccc([C@H](C)N)n1 ZINC001255947891 970564572 /nfs/dbraw/zinc/56/45/72/970564572.db2.gz YMRWSRDRONMRPH-RYUDHWBXSA-N 1 3 238.379 2.196 20 0 BEADHO CCOCCC[NH2+][C@H](C)CCN(CC)CC ZINC001255939842 970572476 /nfs/dbraw/zinc/57/24/76/970572476.db2.gz KTLQMIMYDOFQJE-CYBMUJFWSA-N 1 3 230.396 2.123 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NC(C)(C)COC ZINC001255944114 970579071 /nfs/dbraw/zinc/57/90/71/970579071.db2.gz RJAFVYLNXOOUMU-GFCCVEGCSA-N 1 3 230.396 2.121 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)COC ZINC001255944114 970579076 /nfs/dbraw/zinc/57/90/76/970579076.db2.gz RJAFVYLNXOOUMU-GFCCVEGCSA-N 1 3 230.396 2.121 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC001255948177 970582347 /nfs/dbraw/zinc/58/23/47/970582347.db2.gz GRJUMIRHSWVGTJ-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[N@H+](C)[C@@H](C)CCN(CC)CC ZINC001255955461 970587423 /nfs/dbraw/zinc/58/74/23/970587423.db2.gz UMHBMVILJJPYNZ-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCC[N@@H+](C)[C@@H](C)CCN(CC)CC ZINC001255955461 970587430 /nfs/dbraw/zinc/58/74/30/970587430.db2.gz UMHBMVILJJPYNZ-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCC[C@@H](CCO)[NH2+][C@H](C)CCN(CC)CC ZINC001255953192 970590020 /nfs/dbraw/zinc/59/00/20/970590020.db2.gz YMVPOHCNYVIYSP-KGLIPLIRSA-N 1 3 244.423 2.248 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)C(C)(C)O ZINC001255953892 970591354 /nfs/dbraw/zinc/59/13/54/970591354.db2.gz QMYWMRCJIPSQGE-GFCCVEGCSA-N 1 3 244.423 2.246 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)C[C@H](C)O2 ZINC000925829548 1166879298 /nfs/dbraw/zinc/87/92/98/1166879298.db2.gz CKSVZUYSRFPBBL-TUAOUCFPSA-N 1 3 248.370 2.225 20 0 BEADHO C[NH+]1CCC(N2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001256205056 970700163 /nfs/dbraw/zinc/70/01/63/970700163.db2.gz VKGULSPKSARELR-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CCSC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173302522 975203944 /nfs/dbraw/zinc/20/39/44/975203944.db2.gz SPVKOJDMMAJKLF-XQQFMLRXSA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001173302522 975203957 /nfs/dbraw/zinc/20/39/57/975203957.db2.gz SPVKOJDMMAJKLF-XQQFMLRXSA-N 1 3 242.432 2.012 20 0 BEADHO C[NH2+]CC[C@@H]1CCCCN1CC1CC(F)(F)C1 ZINC000383126544 1167115032 /nfs/dbraw/zinc/11/50/32/1167115032.db2.gz HLKUDBLIBDMXMJ-LBPRGKRZSA-N 1 3 246.345 2.496 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000227114913 1167158966 /nfs/dbraw/zinc/15/89/66/1167158966.db2.gz HXQWISHEQFXPIS-HBNTYKKESA-N 1 3 239.388 2.311 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001333485816 975810037 /nfs/dbraw/zinc/81/00/37/975810037.db2.gz XKZGHDMSRWVQSB-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001333485816 975810043 /nfs/dbraw/zinc/81/00/43/975810043.db2.gz XKZGHDMSRWVQSB-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCSC1 ZINC000309044781 1167244788 /nfs/dbraw/zinc/24/47/88/1167244788.db2.gz NSHHPLAJFGSSND-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000309322876 1167290774 /nfs/dbraw/zinc/29/07/74/1167290774.db2.gz HKZYHKIQAJSOCM-MNOVXSKESA-N 1 3 240.778 2.455 20 0 BEADHO C[C@H]([NH2+]C/C=C\C1CC1)[C@H]1CCCCN1 ZINC000386029323 1167497108 /nfs/dbraw/zinc/49/71/08/1167497108.db2.gz QJUVXGRHEOCSHH-YBLMTZRHSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H](CC[NH2+]C[C@@]1(C)CCCS1)N(C)C ZINC000697886542 1167554229 /nfs/dbraw/zinc/55/42/29/1167554229.db2.gz IAPDAYUWPUOLLJ-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](CN)C[N@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000252098652 1167626380 /nfs/dbraw/zinc/62/63/80/1167626380.db2.gz ICDZGGUMPGGCAR-IJLUTSLNSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](CN)C[N@@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000252098652 1167626386 /nfs/dbraw/zinc/62/63/86/1167626386.db2.gz ICDZGGUMPGGCAR-IJLUTSLNSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](Cc1cccc(F)c1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001168475858 1167766283 /nfs/dbraw/zinc/76/62/83/1167766283.db2.gz QLNBQXCZFCQVBR-LEWSCRJBSA-N 1 3 236.334 2.226 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+]1CCCCC[C@H]1C ZINC000252219485 1167774638 /nfs/dbraw/zinc/77/46/38/1167774638.db2.gz YQKXHYYFMKHFOQ-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+]1CCCCC[C@H]1C ZINC000252219485 1167774643 /nfs/dbraw/zinc/77/46/43/1167774643.db2.gz YQKXHYYFMKHFOQ-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCNC[C@H]3C2)C[C@@H](C)C1 ZINC000310489187 1167784648 /nfs/dbraw/zinc/78/46/48/1167784648.db2.gz FNVFLWZCHCGECK-SEBNEYGDSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCNC[C@H]3C2)C[C@@H](C)C1 ZINC000310489187 1167784652 /nfs/dbraw/zinc/78/46/52/1167784652.db2.gz FNVFLWZCHCGECK-SEBNEYGDSA-N 1 3 236.403 2.352 20 0 BEADHO C1CC[C@@H]2C[N@@H+]([C@H]3CCCNC3)CC[C@H]2C1 ZINC000252372284 1167826029 /nfs/dbraw/zinc/82/60/29/1167826029.db2.gz ICLNTGGGMVODTQ-MCIONIFRSA-N 1 3 222.376 2.251 20 0 BEADHO C1CC[C@@H]2C[N@H+]([C@H]3CCCNC3)CC[C@H]2C1 ZINC000252372284 1167826037 /nfs/dbraw/zinc/82/60/37/1167826037.db2.gz ICLNTGGGMVODTQ-MCIONIFRSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccccn1 ZINC000086817250 1168312280 /nfs/dbraw/zinc/31/22/80/1168312280.db2.gz PKUFLGTTXDKMFZ-CHWSQXEVSA-N 1 3 233.359 2.217 20 0 BEADHO CC[C@H](N)C[N@H+](C)CCCc1cccc(F)c1 ZINC001236860620 979767811 /nfs/dbraw/zinc/76/78/11/979767811.db2.gz RSFLZGAENZEAQW-AWEZNQCLSA-N 1 3 238.350 2.427 20 0 BEADHO CC[C@H](N)C[N@@H+](C)CCCc1cccc(F)c1 ZINC001236860620 979767818 /nfs/dbraw/zinc/76/78/18/979767818.db2.gz RSFLZGAENZEAQW-AWEZNQCLSA-N 1 3 238.350 2.427 20 0 BEADHO CC[C@H](N)C[N@H+](C)CCCc1ccccc1F ZINC001236861289 979767920 /nfs/dbraw/zinc/76/79/20/979767920.db2.gz ZCKMPBCSXROWCZ-ZDUSSCGKSA-N 1 3 238.350 2.427 20 0 BEADHO CC[C@H](N)C[N@@H+](C)CCCc1ccccc1F ZINC001236861289 979767927 /nfs/dbraw/zinc/76/79/27/979767927.db2.gz ZCKMPBCSXROWCZ-ZDUSSCGKSA-N 1 3 238.350 2.427 20 0 BEADHO [NH3+]C[C@@]1(F)CCCCN(C2CCSCC2)C1 ZINC001246582797 972942073 /nfs/dbraw/zinc/94/20/73/972942073.db2.gz TXJDNKAYCWBVKW-LBPRGKRZSA-N 1 3 246.395 2.035 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@@]2(C)CCOC2)CC1 ZINC001256566158 970863819 /nfs/dbraw/zinc/86/38/19/970863819.db2.gz IUQDEXLODTWERZ-AWEZNQCLSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679051 970917566 /nfs/dbraw/zinc/91/75/66/970917566.db2.gz AIENKDXAUWTTET-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](Cc1ccncc1)[NH2+]CC[C@@H]1CCCN1C ZINC001256722947 970944730 /nfs/dbraw/zinc/94/47/30/970944730.db2.gz LZGOOLKVGVOWEH-HIFRSBDPSA-N 1 3 247.386 2.087 20 0 BEADHO COc1ccnc(NCC(C)(C)C[NH+](C)C)c1 ZINC001157940679 970961380 /nfs/dbraw/zinc/96/13/80/970961380.db2.gz VCJSRYVOGLRBQW-UHFFFAOYSA-N 1 3 237.347 2.090 20 0 BEADHO C[C@H]([NH3+])c1ccccc1C1=CNCCC1 ZINC001243953216 971049975 /nfs/dbraw/zinc/04/99/75/971049975.db2.gz YXXSVSYIIYFDPO-JTQLQIEISA-N 1 3 202.301 2.431 20 0 BEADHO CC(C)[N@H+](CCCN)C1C[C@H](C)O[C@@H](C)C1 ZINC001257073826 971088080 /nfs/dbraw/zinc/08/80/80/971088080.db2.gz WIZZKVSGXAHAQB-RYUDHWBXSA-N 1 3 228.380 2.002 20 0 BEADHO CC(C)[N@@H+](CCCN)C1C[C@H](C)O[C@@H](C)C1 ZINC001257073826 971088091 /nfs/dbraw/zinc/08/80/91/971088091.db2.gz WIZZKVSGXAHAQB-RYUDHWBXSA-N 1 3 228.380 2.002 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@H]2CC(C)(C)O2)CC1 ZINC001257207779 971130046 /nfs/dbraw/zinc/13/00/46/971130046.db2.gz JFYXBIICVWOJMP-ZDUSSCGKSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405209862 971206933 /nfs/dbraw/zinc/20/69/33/971206933.db2.gz CCOAXHPZXYYHES-RYUDHWBXSA-N 1 3 242.432 2.235 20 0 BEADHO CC(C)CSCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405209862 971206942 /nfs/dbraw/zinc/20/69/42/971206942.db2.gz CCOAXHPZXYYHES-RYUDHWBXSA-N 1 3 242.432 2.235 20 0 BEADHO CC(C)(C)SCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405199782 971207176 /nfs/dbraw/zinc/20/71/76/971207176.db2.gz CGQAGQHMYKJZHW-GHMZBOCLSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)(C)SCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405199782 971207186 /nfs/dbraw/zinc/20/71/86/971207186.db2.gz CGQAGQHMYKJZHW-GHMZBOCLSA-N 1 3 242.432 2.378 20 0 BEADHO CCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001257324208 971219701 /nfs/dbraw/zinc/21/97/01/971219701.db2.gz KRVMMMLYPVYNGD-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCC2=CCCCC2)C12CCC2 ZINC000405257360 971220814 /nfs/dbraw/zinc/22/08/14/971220814.db2.gz LKAUNZBIGAYWRC-CHWSQXEVSA-N 1 3 220.360 2.346 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC000405257360 971220823 /nfs/dbraw/zinc/22/08/23/971220823.db2.gz LKAUNZBIGAYWRC-CHWSQXEVSA-N 1 3 220.360 2.346 20 0 BEADHO [NH3+][C@@H]1C[C@H](N[C@H]2CC23CCCC3)C12CCC2 ZINC000405302377 971232427 /nfs/dbraw/zinc/23/24/27/971232427.db2.gz JERNBFITEPTBLP-WOPDTQHZSA-N 1 3 220.360 2.179 20 0 BEADHO [NH3+]CCCCCCO[C@H]1CNCc2ccccc21 ZINC001217940954 1169547956 /nfs/dbraw/zinc/54/79/56/1169547956.db2.gz MQCCXXXWWZWVIO-HNNXBMFYSA-N 1 3 248.370 2.367 20 0 BEADHO CCCC[C@@H](CC)[N@H+](C)C[C@@H](C)CN ZINC001257413455 971299090 /nfs/dbraw/zinc/29/90/90/971299090.db2.gz WLLIHEDWXPWMKJ-NWDGAFQWSA-N 1 3 200.370 2.482 20 0 BEADHO CCCC[C@@H](CC)[N@@H+](C)C[C@@H](C)CN ZINC001257413455 971299096 /nfs/dbraw/zinc/29/90/96/971299096.db2.gz WLLIHEDWXPWMKJ-NWDGAFQWSA-N 1 3 200.370 2.482 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CC)C[C@H]2C1 ZINC001257446913 971361635 /nfs/dbraw/zinc/36/16/35/971361635.db2.gz SKLOZVKLGMYVQC-YNEHKIRRSA-N 1 3 210.365 2.059 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CC)C[C@@H]2C1 ZINC001257446912 971363074 /nfs/dbraw/zinc/36/30/74/971363074.db2.gz SKLOZVKLGMYVQC-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CC)C[C@@H]2C1 ZINC001257446912 971363080 /nfs/dbraw/zinc/36/30/80/971363080.db2.gz SKLOZVKLGMYVQC-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CC)C[C@@H]2C1 ZINC001257446911 971364181 /nfs/dbraw/zinc/36/41/81/971364181.db2.gz SKLOZVKLGMYVQC-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CC)C[C@@H]2C1 ZINC001257446911 971364187 /nfs/dbraw/zinc/36/41/87/971364187.db2.gz SKLOZVKLGMYVQC-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@H](N2CC3(C2)CC[NH2+]C3)CC(C)(C)C1 ZINC000724057018 971436227 /nfs/dbraw/zinc/43/62/27/971436227.db2.gz OLHOREFDXVWTPD-OLZOCXBDSA-N 1 3 236.403 2.497 20 0 BEADHO CN(CCC[NH+]1CCCC1)[C@H]1CCCSC1 ZINC001257676557 971477244 /nfs/dbraw/zinc/47/72/44/971477244.db2.gz DDRKUOCLIKVRAF-ZDUSSCGKSA-N 1 3 242.432 2.300 20 0 BEADHO C1C[NH+](C2CCN([C@@H]3CCCSC3)CC2)C1 ZINC001257685430 971489991 /nfs/dbraw/zinc/48/99/91/971489991.db2.gz OLXXQSCKZGIAMO-CYBMUJFWSA-N 1 3 240.416 2.052 20 0 BEADHO CSCC[N@H+](C)C1CCN(CC(C)C)CC1 ZINC001258018528 971558164 /nfs/dbraw/zinc/55/81/64/971558164.db2.gz OTEYVTWFALLXES-UHFFFAOYSA-N 1 3 244.448 2.402 20 0 BEADHO CSCC[N@@H+](C)C1CCN(CC(C)C)CC1 ZINC001258018528 971558170 /nfs/dbraw/zinc/55/81/70/971558170.db2.gz OTEYVTWFALLXES-UHFFFAOYSA-N 1 3 244.448 2.402 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715257 971633002 /nfs/dbraw/zinc/63/30/02/971633002.db2.gz FGOHLHUTUWZJQM-XYYAHUGASA-N 1 3 224.392 2.482 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715257 971633007 /nfs/dbraw/zinc/63/30/07/971633007.db2.gz FGOHLHUTUWZJQM-XYYAHUGASA-N 1 3 224.392 2.482 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724411 971654783 /nfs/dbraw/zinc/65/47/83/971654783.db2.gz JIVZODBRRWHDKH-XDQVBPFNSA-N 1 3 236.403 2.495 20 0 BEADHO Cc1cc(Cl)cc(N[C@H](N)CCC[NH3+])c1 ZINC001170900276 972063896 /nfs/dbraw/zinc/06/38/96/972063896.db2.gz JWMCQTFZBXMCHW-NSHDSACASA-N 1 3 227.739 2.084 20 0 BEADHO CC/C=C\CCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208734186 957145265 /nfs/dbraw/zinc/14/52/65/957145265.db2.gz OCKDHNNOYGPWGP-HLMASZERSA-N 1 3 222.376 2.226 20 0 BEADHO C[C@H](Cc1cccc(F)c1)NCC[C@H](C)[NH3+] ZINC001246306973 972267101 /nfs/dbraw/zinc/26/71/01/972267101.db2.gz UNVSZZWTVLXAHS-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1CCc2cccc(F)c2C1 ZINC001246313162 972272556 /nfs/dbraw/zinc/27/25/56/972272556.db2.gz JELPRQPPPPJQMM-RYUDHWBXSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000397523303 957663980 /nfs/dbraw/zinc/66/39/80/957663980.db2.gz FZOUKTXISBNQFP-UPJWGTAASA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[C@H](C)NC1 ZINC001246330155 972291664 /nfs/dbraw/zinc/29/16/64/972291664.db2.gz VIBAUWQBPMLJGY-BFHYXJOUSA-N 1 3 248.370 2.184 20 0 BEADHO CCOCC[C@H](C)[NH2+]CCCN(CC)CC ZINC001172406988 974664177 /nfs/dbraw/zinc/66/41/77/974664177.db2.gz RNEFPNHBCNKWDA-ZDUSSCGKSA-N 1 3 230.396 2.123 20 0 BEADHO NC1CC([NH2+]CC2C3CC4CC(C3)CC2C4)C1 ZINC000693223947 957947210 /nfs/dbraw/zinc/94/72/10/957947210.db2.gz GZQGMRDZYOHYRW-UHFFFAOYSA-N 1 3 234.387 2.138 20 0 BEADHO c1ccc2c(c1)CC[C@H](CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246397901 972309338 /nfs/dbraw/zinc/30/93/38/972309338.db2.gz UQFOYCUPFLFKKB-XJKSGUPXSA-N 1 3 244.382 2.133 20 0 BEADHO CCCCC[C@@H](CC)[NH2+][C@H]1CC12CNC2 ZINC001246441925 972314058 /nfs/dbraw/zinc/31/40/58/972314058.db2.gz ATXQZUFWQQCWSQ-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000723122318 958163930 /nfs/dbraw/zinc/16/39/30/958163930.db2.gz OPFPFUQLTAPWHT-LOWDOPEQSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000723122318 958163940 /nfs/dbraw/zinc/16/39/40/958163940.db2.gz OPFPFUQLTAPWHT-LOWDOPEQSA-N 1 3 210.365 2.092 20 0 BEADHO Cc1ccc2c(c1)C[C@H](N[C@H]1C[C@@](C)([NH3+])C1)CC2 ZINC001246459070 972332254 /nfs/dbraw/zinc/33/22/54/972332254.db2.gz IWKPSAVUUGZHTH-OAGGEKHMSA-N 1 3 244.382 2.322 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@](C)(N)C1)CC2 ZINC001246459070 972332259 /nfs/dbraw/zinc/33/22/59/972332259.db2.gz IWKPSAVUUGZHTH-OAGGEKHMSA-N 1 3 244.382 2.322 20 0 BEADHO CC[C@@H](CC(C)C)NCC[NH2+]C(C)C ZINC001246461284 972335619 /nfs/dbraw/zinc/33/56/19/972335619.db2.gz OONBISMFGFAAGB-LBPRGKRZSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H]1CC[C@@H](NCCC2CCCC2)C[NH2+]1 ZINC000398958877 958458026 /nfs/dbraw/zinc/45/80/26/958458026.db2.gz KQAFBXPMDUVCFN-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO COc1cccc([C@H](C)C[NH2+]C2CCNCC2)c1 ZINC001246502193 972357581 /nfs/dbraw/zinc/35/75/81/972357581.db2.gz UMZSMXWRLMZWNL-GFCCVEGCSA-N 1 3 248.370 2.140 20 0 BEADHO CC1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000693755406 959268696 /nfs/dbraw/zinc/26/86/96/959268696.db2.gz FPEMWAVFXCAGQH-GRYCIOLGSA-N 1 3 222.376 2.153 20 0 BEADHO [NH3+]C[C@H]1CCCCN(Cc2cccs2)C1 ZINC000308790748 959501567 /nfs/dbraw/zinc/50/15/67/959501567.db2.gz AYRBKWWPRPLTNP-LLVKDONJSA-N 1 3 224.373 2.309 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC000308799151 959503543 /nfs/dbraw/zinc/50/35/43/959503543.db2.gz DFKZPGBYUUELOQ-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CCCC[C@@H](CN)C1 ZINC000308799151 959503562 /nfs/dbraw/zinc/50/35/62/959503562.db2.gz DFKZPGBYUUELOQ-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@](C)(N)C1)C2 ZINC001246532153 972445372 /nfs/dbraw/zinc/44/53/72/972445372.db2.gz UMHJDLRHOHQENJ-GOEBONIOSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@](C)(N)C1)C2 ZINC001246532153 972445374 /nfs/dbraw/zinc/44/53/74/972445374.db2.gz UMHJDLRHOHQENJ-GOEBONIOSA-N 1 3 244.382 2.275 20 0 BEADHO C[C@H](Cc1ccccc1Cl)[NH2+]C[C@@H](C)CN ZINC000309276438 959824925 /nfs/dbraw/zinc/82/49/25/959824925.db2.gz DVGGTMLYSYYFHR-WDEREUQCSA-N 1 3 240.778 2.455 20 0 BEADHO C[C@H]1C[N@H+](CC2(C)CCCCC2)C[C@H]1CN ZINC000708826001 959857166 /nfs/dbraw/zinc/85/71/66/959857166.db2.gz SBFNDZORYLJORS-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[N@@H+](CC2(C)CCCCC2)C[C@H]1CN ZINC000708826001 959857175 /nfs/dbraw/zinc/85/71/75/959857175.db2.gz SBFNDZORYLJORS-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]([NH2+]C1CCCCCCC1)C1CNC1 ZINC000686254815 960241888 /nfs/dbraw/zinc/24/18/88/960241888.db2.gz RERNEDAJRNWRPX-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO C1CC12CCC(N[C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)CC2 ZINC000695766821 960442447 /nfs/dbraw/zinc/44/24/47/960442447.db2.gz CWWZODHHJOFCCG-WPTOEGHWSA-N 1 3 246.398 2.295 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CCN1 ZINC000709358884 960532017 /nfs/dbraw/zinc/53/20/17/960532017.db2.gz WJKHQLLHHHGBOD-KBPBESRZSA-N 1 3 248.370 2.186 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC000709465062 960604598 /nfs/dbraw/zinc/60/45/98/960604598.db2.gz NTKHILQHDOVNNL-ZWNOBZJWSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC000709465062 960604610 /nfs/dbraw/zinc/60/46/10/960604610.db2.gz NTKHILQHDOVNNL-ZWNOBZJWSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[C@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC000709465054 960606206 /nfs/dbraw/zinc/60/62/06/960606206.db2.gz NTKHILQHDOVNNL-GXFFZTMASA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[C@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC000709465054 960606228 /nfs/dbraw/zinc/60/62/28/960606228.db2.gz NTKHILQHDOVNNL-GXFFZTMASA-N 1 3 208.349 2.001 20 0 BEADHO [NH3+]CC1(F)CCN(Cc2ccsc2)CC1 ZINC001222533358 972522326 /nfs/dbraw/zinc/52/23/26/972522326.db2.gz VGBUOEWNMPKAHU-UHFFFAOYSA-N 1 3 228.336 2.011 20 0 BEADHO Cc1cc(C)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000709762409 961486143 /nfs/dbraw/zinc/48/61/43/961486143.db2.gz STPZQWDJVDQFNI-VXGBXAGGSA-N 1 3 219.332 2.380 20 0 BEADHO C[C@H]1CC[C@@H]([NH+]2CCN(c3ccncc3)CC2)C1 ZINC000092874349 961897278 /nfs/dbraw/zinc/89/72/78/961897278.db2.gz HMADQCBECSBUIZ-DZGCQCFKSA-N 1 3 245.370 2.392 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000710384750 962373534 /nfs/dbraw/zinc/37/35/34/962373534.db2.gz MZFQKCYTDGAPSI-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)C(C)(F)F ZINC000696621525 963297775 /nfs/dbraw/zinc/29/77/75/963297775.db2.gz RJYLEFCIUUIXJE-NXEZZACHSA-N 1 3 234.334 2.385 20 0 BEADHO Cc1cc(O)cnc1NC=CC1CC[NH2+]CC1 ZINC001159124420 964002455 /nfs/dbraw/zinc/00/24/55/964002455.db2.gz WFEIBMJWAYUPJH-QPJJXVBHSA-N 1 3 233.315 2.021 20 0 BEADHO CC1=CC(=O)CN=C1NC=CC1CC[NH2+]CC1 ZINC001159124420 964002460 /nfs/dbraw/zinc/00/24/60/964002460.db2.gz WFEIBMJWAYUPJH-QPJJXVBHSA-N 1 3 233.315 2.021 20 0 BEADHO Cc1cc2[nH]ccc2c(NCC(C)(C)[NH3+])n1 ZINC001160031965 964242328 /nfs/dbraw/zinc/24/23/28/964242328.db2.gz HQKXMKVMOQSEGS-UHFFFAOYSA-N 1 3 218.304 2.021 20 0 BEADHO C[NH+](C)C1CCC(N2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001168313629 964416100 /nfs/dbraw/zinc/41/61/00/964416100.db2.gz FMYDRNFXJYHTFC-ASUPZPJHSA-N 1 3 240.366 2.149 20 0 BEADHO C[NH+](C)C1CCC(N2Cc3cccnc3C2)CC1 ZINC001168315717 964421617 /nfs/dbraw/zinc/42/16/17/964421617.db2.gz LOXJSPKTZMBJII-UHFFFAOYSA-N 1 3 245.370 2.270 20 0 BEADHO C[NH+](C)C1CCC(N2Cc3ccncc3C2)CC1 ZINC001168324009 964450591 /nfs/dbraw/zinc/45/05/91/964450591.db2.gz GHVLDAFWTNOFKN-UHFFFAOYSA-N 1 3 245.370 2.270 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1CCC1 ZINC000697824828 964545434 /nfs/dbraw/zinc/54/54/34/964545434.db2.gz MGNANTMEDBIDTH-YPMHNXCESA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCCSCC1)N(C)C ZINC000697846250 964565325 /nfs/dbraw/zinc/56/53/25/964565325.db2.gz BZIIGUOBLCEKMP-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCc2ccccc2C1)N(C)C ZINC000697858920 964573453 /nfs/dbraw/zinc/57/34/53/964573453.db2.gz PENDIEZLDOQNAH-CJNGLKHVSA-N 1 3 246.398 2.474 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCc2ccccc2C1)N(C)C ZINC000697858918 964573639 /nfs/dbraw/zinc/57/36/39/964573639.db2.gz PENDIEZLDOQNAH-BBRMVZONSA-N 1 3 246.398 2.474 20 0 BEADHO CSC1(C[NH2+]CC[C@@H](C)N(C)C)CCC1 ZINC000697888633 964635542 /nfs/dbraw/zinc/63/55/42/964635542.db2.gz PKCBMJMDIWLJQU-LLVKDONJSA-N 1 3 230.421 2.202 20 0 BEADHO CC/C=C/[NH2+]C1CCN(CC2CC2)CC1 ZINC001168363239 964674160 /nfs/dbraw/zinc/67/41/60/964674160.db2.gz WNXKKKRALKDIJJ-FPYGCLRLSA-N 1 3 208.349 2.374 20 0 BEADHO Cc1c2[nH]cnc2ccc1N[C@@H](C)C[NH+](C)C ZINC001163777287 965580815 /nfs/dbraw/zinc/58/08/15/965580815.db2.gz VFQQGKZHEPTUBH-VIFPVBQESA-N 1 3 232.331 2.233 20 0 BEADHO C[C@@H](Cc1cccc(F)c1)NC(C)(C)C[NH3+] ZINC001168454136 965759671 /nfs/dbraw/zinc/75/96/71/965759671.db2.gz MHMHSHBEFDGDIQ-JTQLQIEISA-N 1 3 224.323 2.084 20 0 BEADHO Cc1cc(CN2CCC[C@H]([NH3+])CC2)c(C)cc1O ZINC001205110301 965837290 /nfs/dbraw/zinc/83/72/90/965837290.db2.gz RECAWZPLLLURDK-AWEZNQCLSA-N 1 3 248.370 2.322 20 0 BEADHO COc1ccc(C)c(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124669 965895902 /nfs/dbraw/zinc/89/59/02/965895902.db2.gz XPOJWCAKZBHZIJ-CQSZACIVSA-N 1 3 248.370 2.317 20 0 BEADHO COC1(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCC1 ZINC000715202143 965951032 /nfs/dbraw/zinc/95/10/32/965951032.db2.gz NKDDMZPTKKPWIG-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1cc2[nH]ccc2c(N2CC(C)(N(C)C)C2)[nH+]1 ZINC001165118019 965962449 /nfs/dbraw/zinc/96/24/49/965962449.db2.gz ODDSJKZBMPQKAZ-UHFFFAOYSA-N 1 3 244.342 2.012 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000715238065 965991118 /nfs/dbraw/zinc/99/11/18/965991118.db2.gz ZDKLQCZROABFFU-XVIXHAIJSA-N 1 3 222.376 2.247 20 0 BEADHO CC(C)CCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958500 966175868 /nfs/dbraw/zinc/17/58/68/966175868.db2.gz GOXOMTWJIUUTLU-CLLJXQQHSA-N 1 3 210.365 2.092 20 0 BEADHO CCc1cccc(C)c1C[N@@H+]1CC[C@](C)(N)C1 ZINC001204802036 967177637 /nfs/dbraw/zinc/17/76/37/967177637.db2.gz ZQNPZMVEKLDBKE-HNNXBMFYSA-N 1 3 232.371 2.481 20 0 BEADHO CCc1cccc(C)c1C[N@H+]1CC[C@](C)(N)C1 ZINC001204802036 967177646 /nfs/dbraw/zinc/17/76/46/967177646.db2.gz ZQNPZMVEKLDBKE-HNNXBMFYSA-N 1 3 232.371 2.481 20 0 BEADHO Cc1csc(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205102632 967345030 /nfs/dbraw/zinc/34/50/30/967345030.db2.gz UWUBOUPYXSNAAX-NSHDSACASA-N 1 3 224.373 2.370 20 0 BEADHO Cc1cc(CN2CCC[C@@H]([NH3+])CC2)cc(C)c1O ZINC001205109159 967351502 /nfs/dbraw/zinc/35/15/02/967351502.db2.gz BREWFHNQDBEIHN-CQSZACIVSA-N 1 3 248.370 2.322 20 0 BEADHO Cc1cc(C)c(CN2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205264790 967457245 /nfs/dbraw/zinc/45/72/45/967457245.db2.gz MLKIBCCHLODNGU-CQSZACIVSA-N 1 3 235.375 2.335 20 0 BEADHO Cc1ccc(O)cc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205296025 967496444 /nfs/dbraw/zinc/49/64/44/967496444.db2.gz DWPANXAHJJLRGJ-OAHLLOKOSA-N 1 3 248.370 2.404 20 0 BEADHO CNc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205315394 967520587 /nfs/dbraw/zinc/52/05/87/967520587.db2.gz FXWHCPLFYRNEKU-GXTWGEPZSA-N 1 3 247.386 2.145 20 0 BEADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901958 967877262 /nfs/dbraw/zinc/87/72/62/967877262.db2.gz GJODZEHNHGRGSI-XLWJZTARSA-N 1 3 234.387 2.258 20 0 BEADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901958 967877263 /nfs/dbraw/zinc/87/72/63/967877263.db2.gz GJODZEHNHGRGSI-XLWJZTARSA-N 1 3 234.387 2.258 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCCNC[C@@H]1C ZINC001206258350 968180417 /nfs/dbraw/zinc/18/04/17/968180417.db2.gz WWEAEPREZPXZSD-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCCNC[C@@H]1C ZINC001206258350 968180422 /nfs/dbraw/zinc/18/04/22/968180422.db2.gz WWEAEPREZPXZSD-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@]1(C[NH3+])CCCN(Cc2cnsc2)CC1 ZINC001206318535 968226268 /nfs/dbraw/zinc/22/62/68/968226268.db2.gz QYXPWAHZTNCHAL-GFCCVEGCSA-N 1 3 239.388 2.094 20 0 BEADHO Cc1cnccc1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206549589 968374468 /nfs/dbraw/zinc/37/44/68/968374468.db2.gz OZHSEOGGMSPLRZ-HNNXBMFYSA-N 1 3 247.386 2.341 20 0 BEADHO Cc1cnccc1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206549590 968374692 /nfs/dbraw/zinc/37/46/92/968374692.db2.gz OZHSEOGGMSPLRZ-OAHLLOKOSA-N 1 3 247.386 2.341 20 0 BEADHO C[C@H](CN1CCCC[C@@H](C[NH3+])C1)C(F)(F)F ZINC001206606260 968414765 /nfs/dbraw/zinc/41/47/65/968414765.db2.gz IHCKOZFZPYFVED-ZJUUUORDSA-N 1 3 238.297 2.246 20 0 BEADHO CC/C=C\CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606066 968415221 /nfs/dbraw/zinc/41/52/21/968415221.db2.gz BZCGIYAABUJFPU-SCOBNMCVSA-N 1 3 210.365 2.404 20 0 BEADHO CC/C=C\CC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606066 968415224 /nfs/dbraw/zinc/41/52/24/968415224.db2.gz BZCGIYAABUJFPU-SCOBNMCVSA-N 1 3 210.365 2.404 20 0 BEADHO C[NH+]1CCC(CCN2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001207481507 968794348 /nfs/dbraw/zinc/79/43/48/968794348.db2.gz JMFFQUXYMSTKJH-MELADBBJSA-N 1 3 240.366 2.008 20 0 BEADHO c1cc(N2CC[NH2+]CC2)cc(C2=CCCCC2)n1 ZINC001241716146 969095723 /nfs/dbraw/zinc/09/57/23/969095723.db2.gz BSSVJBCYCBIKRH-UHFFFAOYSA-N 1 3 243.354 2.449 20 0 BEADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156934 /nfs/dbraw/zinc/15/69/34/969156934.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC[C@H](C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156936 /nfs/dbraw/zinc/15/69/36/969156936.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156942 /nfs/dbraw/zinc/15/69/42/969156942.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC001208605181 969156947 /nfs/dbraw/zinc/15/69/47/969156947.db2.gz AJMCXDZMFNZIRN-SOUVJXGZSA-N 1 3 236.403 2.450 20 0 BEADHO CC(C)CCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001208736162 969229188 /nfs/dbraw/zinc/22/91/88/969229188.db2.gz DDWAEECYECZSEL-UHFFFAOYSA-N 1 3 224.392 2.450 20 0 BEADHO Cc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169093047 969386129 /nfs/dbraw/zinc/38/61/29/969386129.db2.gz FIGGPXKAFISTLS-QDMKHBRRSA-N 1 3 245.370 2.105 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)n1C ZINC001169090175 969406966 /nfs/dbraw/zinc/40/69/66/969406966.db2.gz ICUHNMGOUVOPHY-BTTYYORXSA-N 1 3 247.386 2.048 20 0 BEADHO CN1CCC[C@H]([N@H+](C)C2CC(F)(F)C2)CC1 ZINC001254515840 969688456 /nfs/dbraw/zinc/68/84/56/969688456.db2.gz DXEIFRFNCRHOJY-JTQLQIEISA-N 1 3 232.318 2.200 20 0 BEADHO CN1CCC[C@H]([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001254515840 969688460 /nfs/dbraw/zinc/68/84/60/969688460.db2.gz DXEIFRFNCRHOJY-JTQLQIEISA-N 1 3 232.318 2.200 20 0 BEADHO C[NH2+]Cc1cccc(Nc2ccncc2C)c1 ZINC001211134284 970159256 /nfs/dbraw/zinc/15/92/56/970159256.db2.gz HSWMHAGKXMWJGD-UHFFFAOYSA-N 1 3 227.311 2.275 20 0 BEADHO C[C@@H](CC(F)(F)F)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001255632986 970404179 /nfs/dbraw/zinc/40/41/79/970404179.db2.gz HHWRWHNIUYVHAH-XHNCKOQMSA-N 1 3 224.270 2.187 20 0 BEADHO C[C@@H](CC(F)(F)F)[NH2+]C(C)(C)C(C)(C)N ZINC001255639360 970413561 /nfs/dbraw/zinc/41/35/61/970413561.db2.gz KKGAVJFXBZBZEH-ZETCQYMHSA-N 1 3 226.286 2.433 20 0 BEADHO C[C@H](C[NH3+])CN(C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255864633 970529075 /nfs/dbraw/zinc/52/90/75/970529075.db2.gz JEIANTKMEYWNCZ-NEPJUHHUSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255864633 970529085 /nfs/dbraw/zinc/52/90/85/970529085.db2.gz JEIANTKMEYWNCZ-NEPJUHHUSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@]1(C[N@@H+]2CC[C@H](C3CC3)C2)CCCNC1 ZINC000400055902 970545464 /nfs/dbraw/zinc/54/54/64/970545464.db2.gz ZAJAARUDNBEZBL-UONOGXRCSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@]1(C[N@H+]2CC[C@H](C3CC3)C2)CCCNC1 ZINC000400055902 970545472 /nfs/dbraw/zinc/54/54/72/970545472.db2.gz ZAJAARUDNBEZBL-UONOGXRCSA-N 1 3 222.376 2.108 20 0 BEADHO CSC[C@@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000400130858 970548672 /nfs/dbraw/zinc/54/86/72/970548672.db2.gz SBEGGUXVCUMSGP-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CSC[C@@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000400130858 970548676 /nfs/dbraw/zinc/54/86/76/970548676.db2.gz SBEGGUXVCUMSGP-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO NC[C@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400131570 970552384 /nfs/dbraw/zinc/55/23/84/970552384.db2.gz VGFZHIKAIFMQNU-FKZOYECMSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400131570 970552392 /nfs/dbraw/zinc/55/23/92/970552392.db2.gz VGFZHIKAIFMQNU-FKZOYECMSA-N 1 3 222.376 2.093 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)C(C)=O ZINC001255939337 970568465 /nfs/dbraw/zinc/56/84/65/970568465.db2.gz BVDYBMFBEUGJPX-NSHDSACASA-N 1 3 228.380 2.064 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccncc1 ZINC001255939736 970569937 /nfs/dbraw/zinc/56/99/37/970569937.db2.gz INTVIRGWSKGCIV-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCCc1ccncc1 ZINC001255939736 970569947 /nfs/dbraw/zinc/56/99/47/970569947.db2.gz INTVIRGWSKGCIV-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCCc1cccnc1 ZINC001255940850 970571569 /nfs/dbraw/zinc/57/15/69/970571569.db2.gz HLUBXVFVWRPAIB-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCc1cccnc1 ZINC001255940850 970571580 /nfs/dbraw/zinc/57/15/80/970571580.db2.gz HLUBXVFVWRPAIB-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(CC)COC1 ZINC001255944913 970577394 /nfs/dbraw/zinc/57/73/94/970577394.db2.gz HWHCZIXORWQYLD-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)(C)C ZINC000400480480 970596889 /nfs/dbraw/zinc/59/68/89/970596889.db2.gz FMSLVYFCBGGEGV-SDDRHHMPSA-N 1 3 212.381 2.399 20 0 BEADHO CN1CC(CNc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001170253927 970659392 /nfs/dbraw/zinc/65/93/92/970659392.db2.gz FJWYTDHXYJXYCB-HNNXBMFYSA-N 1 3 245.370 2.085 20 0 BEADHO C[NH+]1CCC(N2CCC3(CC(F)C3)CC2)CC1 ZINC001256202478 970702665 /nfs/dbraw/zinc/70/26/65/970702665.db2.gz FIPKWYVSFWWXPP-UHFFFAOYSA-N 1 3 240.366 2.295 20 0 BEADHO CC(C)([NH3+])CNc1ccncc1-c1ccccc1 ZINC001171193401 972845025 /nfs/dbraw/zinc/84/50/25/972845025.db2.gz XHHSNRUBBDQCND-UHFFFAOYSA-N 1 3 241.338 2.320 20 0 BEADHO C[C@H](Cc1ccncc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246590584 973000109 /nfs/dbraw/zinc/00/01/09/973000109.db2.gz HHTRHMIAFNEUCN-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246590584 973000117 /nfs/dbraw/zinc/00/01/17/973000117.db2.gz HHTRHMIAFNEUCN-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccncc1)N1CCCC[C@H](C[NH3+])C1 ZINC001246590584 973000124 /nfs/dbraw/zinc/00/01/24/973000124.db2.gz HHTRHMIAFNEUCN-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665976 973074892 /nfs/dbraw/zinc/07/48/92/973074892.db2.gz VOMDTPRPHJXJAN-XHJNMGKDSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665976 973074907 /nfs/dbraw/zinc/07/49/07/973074907.db2.gz VOMDTPRPHJXJAN-XHJNMGKDSA-N 1 3 224.392 2.480 20 0 BEADHO CCc1ccc(C[C@@H](C)N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001246661455 973075481 /nfs/dbraw/zinc/07/54/81/973075481.db2.gz XPUHYORMDQDULT-FWYOQMDTSA-N 1 3 244.382 2.069 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328614219 973192785 /nfs/dbraw/zinc/19/27/85/973192785.db2.gz CIUCDBGMAXYPJK-MJDLHHQISA-N 1 3 244.329 2.137 20 0 BEADHO C[C@@H]1CC[C@H]([NH+]2CC3CCC(CC3)C2)CN1 ZINC001246881787 973290068 /nfs/dbraw/zinc/29/00/68/973290068.db2.gz JCNKGSVZDFHVCG-RYSNWHEDSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2(C)CC(F)(F)C2)CCN1 ZINC000720921527 973637659 /nfs/dbraw/zinc/63/76/59/973637659.db2.gz CTDCGGVNXWTWDL-NXEZZACHSA-N 1 3 232.318 2.152 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](F)C1)C2 ZINC001172120901 974391658 /nfs/dbraw/zinc/39/16/58/974391658.db2.gz GZWXUWAHQONBCM-MQYQWHSLSA-N 1 3 240.366 2.436 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](F)C1)C2 ZINC001172120901 974391664 /nfs/dbraw/zinc/39/16/64/974391664.db2.gz GZWXUWAHQONBCM-MQYQWHSLSA-N 1 3 240.366 2.436 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)oc1C ZINC001206164074 974629512 /nfs/dbraw/zinc/62/95/12/974629512.db2.gz JEWVGTOMJNUZKN-OLZOCXBDSA-N 1 3 240.322 2.158 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)oc1C ZINC001206164074 974629516 /nfs/dbraw/zinc/62/95/16/974629516.db2.gz JEWVGTOMJNUZKN-OLZOCXBDSA-N 1 3 240.322 2.158 20 0 BEADHO CC(C)OCC[C@H](C)[NH2+]CCCN1CCCC1 ZINC001172431216 974713683 /nfs/dbraw/zinc/71/36/83/974713683.db2.gz LEPZBKQNERROHO-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](CC(C)C)[N@H+](C)C[C@H](C)CN ZINC001172394490 974746682 /nfs/dbraw/zinc/74/66/82/974746682.db2.gz VKQXHTTWFXWJOA-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+](C)C[C@H](C)CN ZINC001172394490 974746684 /nfs/dbraw/zinc/74/66/84/974746684.db2.gz VKQXHTTWFXWJOA-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H](CC(C)C)[N@H+](C)C[C@@H](C)CN ZINC001172394488 974747817 /nfs/dbraw/zinc/74/78/17/974747817.db2.gz VKQXHTTWFXWJOA-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+](C)C[C@@H](C)CN ZINC001172394488 974747823 /nfs/dbraw/zinc/74/78/23/974747823.db2.gz VKQXHTTWFXWJOA-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)OCC[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001172440656 974798317 /nfs/dbraw/zinc/79/83/17/974798317.db2.gz IHOPEHQWXLYPJK-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO NC1CC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172561686 974869327 /nfs/dbraw/zinc/86/93/27/974869327.db2.gz XXWGUSYPGTWCGP-FEWQNLEASA-N 1 3 230.355 2.402 20 0 BEADHO [NH3+]C1CC(N[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172561686 974869330 /nfs/dbraw/zinc/86/93/30/974869330.db2.gz XXWGUSYPGTWCGP-FEWQNLEASA-N 1 3 230.355 2.402 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206166602 974878490 /nfs/dbraw/zinc/87/84/90/974878490.db2.gz SSBOQKLITYFDEG-QWRGUYRKSA-N 1 3 242.363 2.318 20 0 BEADHO CC[NH+](CC)C1CCC(N(C)CC(C)=O)CC1 ZINC001173109411 975025026 /nfs/dbraw/zinc/02/50/26/975025026.db2.gz ILHLOFDDZLSHPO-UHFFFAOYSA-N 1 3 240.391 2.160 20 0 BEADHO COc1cccc2c1CC[C@@H]2NCCC(C)(C)[NH3+] ZINC001332402817 975094030 /nfs/dbraw/zinc/09/40/30/975094030.db2.gz SNXBCBHGKYKCOY-ZDUSSCGKSA-N 1 3 248.370 2.400 20 0 BEADHO CCc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC001173241575 975166639 /nfs/dbraw/zinc/16/66/39/975166639.db2.gz OJKYVVIHYXRRLU-OLZOCXBDSA-N 1 3 234.387 2.364 20 0 BEADHO Cc1cnccc1Nc1cc[nH+]c(N(C)C)c1 ZINC001174535961 976813164 /nfs/dbraw/zinc/81/31/64/976813164.db2.gz DMXJKPGJVSOQJM-UHFFFAOYSA-N 1 3 228.299 2.017 20 0 BEADHO Cc1cnccc1Nc1cc[nH+]c2c1CCC2 ZINC001174536810 976822360 /nfs/dbraw/zinc/82/23/60/976822360.db2.gz WHXXDDRZPWEZTF-UHFFFAOYSA-N 1 3 225.295 2.439 20 0 BEADHO Cc1cc(C)nc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000721838724 978049558 /nfs/dbraw/zinc/04/95/58/978049558.db2.gz STPZQWDJVDQFNI-RYUDHWBXSA-N 1 3 219.332 2.380 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235144966 978978607 /nfs/dbraw/zinc/97/86/07/978978607.db2.gz AHCRIRIUADXJGE-XUXIUFHCSA-N 1 3 220.360 2.012 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176297 978990358 /nfs/dbraw/zinc/99/03/58/978990358.db2.gz ZYZGNYNNUMFXQZ-MCIONIFRSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235176297 978990368 /nfs/dbraw/zinc/99/03/68/978990368.db2.gz ZYZGNYNNUMFXQZ-MCIONIFRSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235176297 978990377 /nfs/dbraw/zinc/99/03/77/978990377.db2.gz ZYZGNYNNUMFXQZ-MCIONIFRSA-N 1 3 222.376 2.251 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CNCC[C@@H]21 ZINC001235256726 979011649 /nfs/dbraw/zinc/01/16/49/979011649.db2.gz GKKHGQNUBMECQU-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1C[C@H]2CNCC[C@@H]21 ZINC001235256726 979011653 /nfs/dbraw/zinc/01/16/53/979011653.db2.gz GKKHGQNUBMECQU-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CC1=CC[C@H](CC[N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)C1(C)C ZINC001235282682 979016657 /nfs/dbraw/zinc/01/66/57/979016657.db2.gz GTSSRNQIZOKSQN-YIYPIFLZSA-N 1 3 234.387 2.258 20 0 BEADHO CC1=CC[C@H](CC[N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)C1(C)C ZINC001235282682 979016667 /nfs/dbraw/zinc/01/66/67/979016667.db2.gz GTSSRNQIZOKSQN-YIYPIFLZSA-N 1 3 234.387 2.258 20 0 BEADHO N[C@]12CC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977515 979241180 /nfs/dbraw/zinc/24/11/80/979241180.db2.gz HCBKIKWXSQQWNU-GJZGRUSLSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977515 979241186 /nfs/dbraw/zinc/24/11/86/979241186.db2.gz HCBKIKWXSQQWNU-GJZGRUSLSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996098 979290837 /nfs/dbraw/zinc/29/08/37/979290837.db2.gz QRGICFZBAUNQRV-ZBFHGGJFSA-N 1 3 242.366 2.098 20 0 BEADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996098 979290847 /nfs/dbraw/zinc/29/08/47/979290847.db2.gz QRGICFZBAUNQRV-ZBFHGGJFSA-N 1 3 242.366 2.098 20 0 BEADHO Cc1cccc(C[N@@H+]2CCCN[C@@H](C)C2)c1C ZINC001236095630 979381985 /nfs/dbraw/zinc/38/19/85/979381985.db2.gz XXNOZPHVHORYLC-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@H+]2CCCN[C@@H](C)C2)c1C ZINC001236095630 979381990 /nfs/dbraw/zinc/38/19/90/979381990.db2.gz XXNOZPHVHORYLC-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO Cn1ccc2cc(C[N@@H+]3CCC[C@@H]3CN)ccc21 ZINC001236246382 979468923 /nfs/dbraw/zinc/46/89/23/979468923.db2.gz YODYNJXPWOCDOU-CQSZACIVSA-N 1 3 243.354 2.101 20 0 BEADHO Cn1ccc2cc(C[N@H+]3CCC[C@@H]3CN)ccc21 ZINC001236246382 979468929 /nfs/dbraw/zinc/46/89/29/979468929.db2.gz YODYNJXPWOCDOU-CQSZACIVSA-N 1 3 243.354 2.101 20 0 BEADHO CC[C@H](N)C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236335119 979538009 /nfs/dbraw/zinc/53/80/09/979538009.db2.gz GJUQLLLCDKRABZ-AWEZNQCLSA-N 1 3 247.386 2.186 20 0 BEADHO C[C@@H](N)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001236434903 979599287 /nfs/dbraw/zinc/59/92/87/979599287.db2.gz ZALVLCNGZISZBD-CYBMUJFWSA-N 1 3 232.371 2.387 20 0 BEADHO C[C@H](CNc1ccncc1)[N@@H+]1CCC[C@H](C)C1 ZINC001347773129 981168449 /nfs/dbraw/zinc/16/84/49/981168449.db2.gz UBXIWHSLLFJHHY-QWHCGFSZSA-N 1 3 233.359 2.036 20 0 BEADHO C[C@H](CNc1ccncc1)[N@H+]1CCC[C@H](C)C1 ZINC001347773129 981168452 /nfs/dbraw/zinc/16/84/52/981168452.db2.gz UBXIWHSLLFJHHY-QWHCGFSZSA-N 1 3 233.359 2.036 20 0 BEADHO CN1CCC=C(c2cccc(C[NH+](C)C)c2)C1 ZINC001241570206 982820041 /nfs/dbraw/zinc/82/00/41/982820041.db2.gz XBGNGUCJPHYWKO-UHFFFAOYSA-N 1 3 230.355 2.467 20 0 BEADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccncc1 ZINC001354019909 983118554 /nfs/dbraw/zinc/11/85/54/983118554.db2.gz XTOBXIRDLMNPDX-CYBMUJFWSA-N 1 3 233.359 2.036 20 0 BEADHO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccncc1 ZINC001354019909 983118557 /nfs/dbraw/zinc/11/85/57/983118557.db2.gz XTOBXIRDLMNPDX-CYBMUJFWSA-N 1 3 233.359 2.036 20 0 BEADHO CCC(CC)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201534856 983291574 /nfs/dbraw/zinc/29/15/74/983291574.db2.gz ADSGZJDJMJFVML-UHFFFAOYSA-N 1 3 224.392 2.450 20 0 BEADHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccccc3)C[C@H]21 ZINC001201606094 983372869 /nfs/dbraw/zinc/37/28/69/983372869.db2.gz IJZYYHDXBSEGEN-HZPDHXFCSA-N 1 3 244.382 2.255 20 0 BEADHO C[N@H+]1CCC[C@@H]2CN(CCc3ccccc3)C[C@H]21 ZINC001201606094 983372880 /nfs/dbraw/zinc/37/28/80/983372880.db2.gz IJZYYHDXBSEGEN-HZPDHXFCSA-N 1 3 244.382 2.255 20 0 BEADHO CC(C)CC[NH+]1CCC2(CN(C)C2)CC1 ZINC001201626285 983379981 /nfs/dbraw/zinc/37/99/81/983379981.db2.gz DJOLWTWYHBNPRL-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)[C@H](C)N ZINC001576105050 984150996 /nfs/dbraw/zinc/15/09/96/984150996.db2.gz NABOXLZEIKFCAG-LQKZOZGNSA-N 1 3 222.307 2.164 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCc1cccc2[nH]ccc21 ZINC001576380647 984169792 /nfs/dbraw/zinc/16/97/92/984169792.db2.gz WBQSNJTZUDTSBI-ZIAGYGMSSA-N 1 3 243.354 2.383 20 0 BEADHO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576647944 984178663 /nfs/dbraw/zinc/17/86/63/984178663.db2.gz VPPVAFJXEUYUTN-YFKTTZPYSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)Cc1cccc(C)c1 ZINC001577124510 984189493 /nfs/dbraw/zinc/18/94/93/984189493.db2.gz FKISSNVOKIJUKB-OCCSQVGLSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256799570 984840809 /nfs/dbraw/zinc/84/08/09/984840809.db2.gz VFPQOPOZDXYIDU-YUELXQCFSA-N 1 3 248.370 2.091 20 0 BEADHO CCc1cccc(C[NH2+]C[C@@H](N)CC)c1 ZINC001578266662 984913271 /nfs/dbraw/zinc/91/32/71/984913271.db2.gz OBAOBCWKXXFWMP-ZDUSSCGKSA-N 1 3 206.333 2.076 20 0 BEADHO CNCCC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578687236 985300307 /nfs/dbraw/zinc/30/03/07/985300307.db2.gz RXXPNFZSPCABPS-KBPBESRZSA-N 1 3 222.376 2.106 20 0 BEADHO CNCCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001578687236 985300316 /nfs/dbraw/zinc/30/03/16/985300316.db2.gz RXXPNFZSPCABPS-KBPBESRZSA-N 1 3 222.376 2.106 20 0 BEADHO CO[C@@](C)(CN1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC001578897011 985478884 /nfs/dbraw/zinc/47/88/84/985478884.db2.gz HVOXVDSLPDWEOV-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO CN(C)c1ccnc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243891761 985555375 /nfs/dbraw/zinc/55/53/75/985555375.db2.gz GEXVODSIUSPQRE-ONEGZZNKSA-N 1 3 231.343 2.160 20 0 BEADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@H]1C1CCC1 ZINC000688242616 985585937 /nfs/dbraw/zinc/58/59/37/985585937.db2.gz VHGDVTZWLSGJEG-QWRGUYRKSA-N 1 3 232.318 2.233 20 0 BEADHO c1cc2c(c(C3=CNCCC3)c1)C[NH2+]C2 ZINC001243951912 985653343 /nfs/dbraw/zinc/65/33/43/985653343.db2.gz ZWZVBSSTPSUDMN-UHFFFAOYSA-N 1 3 200.285 2.014 20 0 BEADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCN2)cc1 ZINC001579192718 985821398 /nfs/dbraw/zinc/82/13/98/985821398.db2.gz HLRVHCRVJHMDNG-DYEKYZERSA-N 1 3 248.370 2.139 20 0 BEADHO NC[C@@H]1CCCC[N@H+](CCCc2ccncc2)C1 ZINC001206606111 985893705 /nfs/dbraw/zinc/89/37/05/985893705.db2.gz DNSRKESDTJYVOD-HNNXBMFYSA-N 1 3 247.386 2.075 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](CCCc2ccncc2)C1 ZINC001206606111 985893706 /nfs/dbraw/zinc/89/37/06/985893706.db2.gz DNSRKESDTJYVOD-HNNXBMFYSA-N 1 3 247.386 2.075 20 0 BEADHO CCCN1C[C@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001202791910 986313016 /nfs/dbraw/zinc/31/30/16/986313016.db2.gz GVTMKXUVCUXMBR-KBPBESRZSA-N 1 3 222.376 2.060 20 0 BEADHO CC(C)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693761826 987314657 /nfs/dbraw/zinc/31/46/57/987314657.db2.gz PHOLUBFEBXGVFM-FRRDWIJNSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693749674 987315756 /nfs/dbraw/zinc/31/57/56/987315756.db2.gz CPSVANGSPCLFPN-XHJNMGKDSA-N 1 3 236.403 2.399 20 0 BEADHO NC1(C[NH2+][C@H]2Cc3cccc(F)c3C2)CCCC1 ZINC001246075078 987364936 /nfs/dbraw/zinc/36/49/36/987364936.db2.gz HBMNTXFEXPLXML-LBPRGKRZSA-N 1 3 248.345 2.154 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C)CN1 ZINC001246092591 987399454 /nfs/dbraw/zinc/39/94/54/987399454.db2.gz FBJKHLGYWMPOIM-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)C1CCC([NH2+][C@H]2CNC[C@@H]2C)CC1 ZINC001246108720 987436245 /nfs/dbraw/zinc/43/62/45/987436245.db2.gz MJKSRDPFUJOWIW-ABXWRUBCSA-N 1 3 224.392 2.399 20 0 BEADHO CCCCC[C@@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246128099 987475900 /nfs/dbraw/zinc/47/59/00/987475900.db2.gz DQVPHPJEXAMCEF-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246127899 987479289 /nfs/dbraw/zinc/47/92/89/987479289.db2.gz CMIUNLFFJBWNMI-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CNCC23CC3)C[C@H]1C ZINC001246135220 987487025 /nfs/dbraw/zinc/48/70/25/987487025.db2.gz SYORIVJODBGVPE-FVCCEPFGSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@]23C[C@H]2CNC3)CC(C)(C)C1 ZINC001246135899 987491419 /nfs/dbraw/zinc/49/14/19/987491419.db2.gz SLTSADSSOCUXGH-UHXUPSOCSA-N 1 3 222.376 2.153 20 0 BEADHO CCC[C@H](C)CC[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147122 987504942 /nfs/dbraw/zinc/50/49/42/987504942.db2.gz LBHJASKSCWHGJJ-YHQUGGNUSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](c1cccnc1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001473702073 987530650 /nfs/dbraw/zinc/53/06/50/987530650.db2.gz BOAKPLVMAMDKDZ-CFVMTHIKSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H](c1cccnc1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001473702073 987530660 /nfs/dbraw/zinc/53/06/60/987530660.db2.gz BOAKPLVMAMDKDZ-CFVMTHIKSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1 ZINC001246178115 987549409 /nfs/dbraw/zinc/54/94/09/987549409.db2.gz HBDXDPGXHWKBAO-QQMYWVELSA-N 1 3 234.387 2.151 20 0 BEADHO CCCC1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC001246182942 987553311 /nfs/dbraw/zinc/55/33/11/987553311.db2.gz BWNFZEJZKZWBGT-FLWUZPLOSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CCCCc2ccccn2)CCN1 ZINC001246237222 987635520 /nfs/dbraw/zinc/63/55/20/987635520.db2.gz HEMOWHIGAUBTBO-DZGCQCFKSA-N 1 3 247.386 2.134 20 0 BEADHO Cc1ccnc(CCC[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC001246241289 987643060 /nfs/dbraw/zinc/64/30/60/987643060.db2.gz RCACJZGTGMXVLC-DZGCQCFKSA-N 1 3 247.386 2.053 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CN)C[C@H]1C ZINC001246243443 987645721 /nfs/dbraw/zinc/64/57/21/987645721.db2.gz GKEFDWYGYPYNCF-IJLUTSLNSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1 ZINC001246242298 987646373 /nfs/dbraw/zinc/64/63/73/987646373.db2.gz DCMVDFQFPFSAHH-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283664 987678198 /nfs/dbraw/zinc/67/81/98/987678198.db2.gz XENXYSUKPLCSPY-OADPDTJPSA-N 1 3 248.345 2.412 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283668 987679327 /nfs/dbraw/zinc/67/93/27/987679327.db2.gz XENXYSUKPLCSPY-SDJAHQOYSA-N 1 3 248.345 2.412 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(N)cc1 ZINC001246291270 987682948 /nfs/dbraw/zinc/68/29/48/987682948.db2.gz TUHWTVFAMJHBHK-JTNHKYCSSA-N 1 3 233.359 2.060 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246336139 987745993 /nfs/dbraw/zinc/74/59/93/987745993.db2.gz SQSCZDJTWXXKFS-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCCCCCCO)CCN1 ZINC001246340594 987750689 /nfs/dbraw/zinc/75/06/89/987750689.db2.gz IWBZJKRDZQPOMG-KGLIPLIRSA-N 1 3 242.407 2.049 20 0 BEADHO C[NH2+]CC[C@H](C)NC[C@H]1CCc2ccccc2N1 ZINC001246353174 987759005 /nfs/dbraw/zinc/75/90/05/987759005.db2.gz QDQHLWMNCZIWBJ-GXTWGEPZSA-N 1 3 247.386 2.001 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246378647 987776027 /nfs/dbraw/zinc/77/60/27/987776027.db2.gz XXVHFXVHSSFDOW-MLGOLLRUSA-N 1 3 244.382 2.132 20 0 BEADHO CCCC1([NH2+][C@@H]2CCN[C@@H](C)C2)CCC1 ZINC001246390653 987779871 /nfs/dbraw/zinc/77/98/71/987779871.db2.gz YJWHDOPHOYMPIW-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396453 987783511 /nfs/dbraw/zinc/78/35/11/987783511.db2.gz ZQABMZRUPMOBFC-PWSUYJOCSA-N 1 3 210.365 2.295 20 0 BEADHO CCCCCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246445439 987798930 /nfs/dbraw/zinc/79/89/30/987798930.db2.gz OFYQYJVWYWBXRE-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC12CNC2 ZINC001246445290 987802390 /nfs/dbraw/zinc/80/23/90/987802390.db2.gz NSVMTLAYDUHRQA-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(CN[C@H]1CCC[NH2+]C1)CC1CC1 ZINC001246430019 987794166 /nfs/dbraw/zinc/79/41/66/987794166.db2.gz DPGSVJBNAPISAL-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430958 987794846 /nfs/dbraw/zinc/79/48/46/987794846.db2.gz HQZOBZJCZUKCEB-YPMHNXCESA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@@H](NC(C)(C)Cc2ccccn2)CC[NH2+]1 ZINC001246432848 987798147 /nfs/dbraw/zinc/79/81/47/987798147.db2.gz IDRFBNURGBYYEM-OLZOCXBDSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccn2)CCN1 ZINC001246432848 987798154 /nfs/dbraw/zinc/79/81/54/987798154.db2.gz IDRFBNURGBYYEM-OLZOCXBDSA-N 1 3 247.386 2.133 20 0 BEADHO CCCCCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246445439 987798922 /nfs/dbraw/zinc/79/89/22/987798922.db2.gz OFYQYJVWYWBXRE-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CC12CNC2 ZINC001246441861 987800629 /nfs/dbraw/zinc/80/06/29/987800629.db2.gz AITOVKBEOBNRHF-CYBMUJFWSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC23CNC3)cc1 ZINC001246445169 987802663 /nfs/dbraw/zinc/80/26/63/987802663.db2.gz NEPOVSUAVOJIFP-DZGCQCFKSA-N 1 3 244.382 2.268 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CN1 ZINC001246443137 987803750 /nfs/dbraw/zinc/80/37/50/987803750.db2.gz LTWSPMIYQPPNNI-BBMNEWJDSA-N 1 3 236.403 2.397 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446764 987805153 /nfs/dbraw/zinc/80/51/53/987805153.db2.gz TYQVJQLOHIKWML-RWMBFGLXSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446764 987805159 /nfs/dbraw/zinc/80/51/59/987805159.db2.gz TYQVJQLOHIKWML-RWMBFGLXSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246451893 987809144 /nfs/dbraw/zinc/80/91/44/987809144.db2.gz IFIOPLPUHFROKX-KMUNFCNLSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)CCN1 ZINC001246451893 987809147 /nfs/dbraw/zinc/80/91/47/987809147.db2.gz IFIOPLPUHFROKX-KMUNFCNLSA-N 1 3 248.345 2.023 20 0 BEADHO CCC[C@@]1(CNC2CCCCC2)CC[NH2+]1 ZINC001246456760 987812292 /nfs/dbraw/zinc/81/22/92/987812292.db2.gz OIUDKNDRWYJZHK-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO CCC[C@@]1(CN[C@H]2CC[C@@H](C)C2)CC[NH2+]1 ZINC001246455676 987813227 /nfs/dbraw/zinc/81/32/27/987813227.db2.gz IZPLLNVFEAYKCO-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO CC1CCC(NC[C@@]2(C)CCC[NH2+]2)CC1 ZINC001246455299 987813907 /nfs/dbraw/zinc/81/39/07/987813907.db2.gz IVZWGSDUYMKMLU-WXRRBKDZSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@]1(CN[C@@H]2CC[C@@H](C)C2)CC[NH2+]1 ZINC001246455678 987814550 /nfs/dbraw/zinc/81/45/50/987814550.db2.gz IZPLLNVFEAYKCO-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1C[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC001246462435 987822097 /nfs/dbraw/zinc/82/20/97/987822097.db2.gz SBAIVIGAKZCHDU-HAQNSBGRSA-N 1 3 210.365 2.295 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001246496634 987849276 /nfs/dbraw/zinc/84/92/76/987849276.db2.gz PEMDERSRFFMBNC-VEGXAWMVSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246526269 987879904 /nfs/dbraw/zinc/87/99/04/987879904.db2.gz ADDBXTDCFWNIJW-FRRDWIJNSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246526269 987879907 /nfs/dbraw/zinc/87/99/07/987879907.db2.gz ADDBXTDCFWNIJW-FRRDWIJNSA-N 1 3 228.380 2.003 20 0 BEADHO CCCC[C@@H](CC)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246539285 987900589 /nfs/dbraw/zinc/90/05/89/987900589.db2.gz GYOWGEYBKJEKBX-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CCCC[C@@H](CC)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246539285 987900596 /nfs/dbraw/zinc/90/05/96/987900596.db2.gz GYOWGEYBKJEKBX-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246541816 987910083 /nfs/dbraw/zinc/91/00/83/987910083.db2.gz NSEKRSUTZPXJSL-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 ZINC001246541816 987910087 /nfs/dbraw/zinc/91/00/87/987910087.db2.gz NSEKRSUTZPXJSL-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CC1(C)CC[C@@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC001246545345 987916134 /nfs/dbraw/zinc/91/61/34/987916134.db2.gz JHKFRHAUBAUUCY-VXGBXAGGSA-N 1 3 210.365 2.378 20 0 BEADHO CC1(C)CC[C@@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC001246545345 987916142 /nfs/dbraw/zinc/91/61/42/987916142.db2.gz JHKFRHAUBAUUCY-VXGBXAGGSA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@@H](C)OCC[C@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546428 987931509 /nfs/dbraw/zinc/93/15/09/987931509.db2.gz MVOGMSJDLZNJJX-FQUUOJAGSA-N 1 3 242.407 2.392 20 0 BEADHO CC[C@@H]1CC[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246557586 987972504 /nfs/dbraw/zinc/97/25/04/987972504.db2.gz MIZWOROXXRCCCN-WOPDTQHZSA-N 1 3 246.345 2.481 20 0 BEADHO CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246563444 988006697 /nfs/dbraw/zinc/00/66/97/988006697.db2.gz JWCRCFVXQUPHNM-MCIONIFRSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)COCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246563444 988006712 /nfs/dbraw/zinc/00/67/12/988006712.db2.gz JWCRCFVXQUPHNM-MCIONIFRSA-N 1 3 242.407 2.107 20 0 BEADHO Cc1cccc2c1CN([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246566662 988030325 /nfs/dbraw/zinc/03/03/25/988030325.db2.gz IPSNYJRUCORMBQ-JSGCOSHPSA-N 1 3 230.355 2.451 20 0 BEADHO CNCC[C@H](C)[N@@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001246572969 988066258 /nfs/dbraw/zinc/06/62/58/988066258.db2.gz LNHDZFKQQNZENQ-XQQFMLRXSA-N 1 3 212.381 2.352 20 0 BEADHO CNCC[C@H](C)[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001246572969 988066280 /nfs/dbraw/zinc/06/62/80/988066280.db2.gz LNHDZFKQQNZENQ-XQQFMLRXSA-N 1 3 212.381 2.352 20 0 BEADHO CSCC[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246580937 988108357 /nfs/dbraw/zinc/10/83/57/988108357.db2.gz JCAFOVJBKGDBBC-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CSCC[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246580937 988108360 /nfs/dbraw/zinc/10/83/60/988108360.db2.gz JCAFOVJBKGDBBC-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@@H](C)C2)CCN1 ZINC001246578143 988090538 /nfs/dbraw/zinc/09/05/38/988090538.db2.gz YJQMPHGCOLYBLB-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H](C)C2)CCN1 ZINC001246578143 988090557 /nfs/dbraw/zinc/09/05/57/988090557.db2.gz YJQMPHGCOLYBLB-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO CSCC[C@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246580935 988116987 /nfs/dbraw/zinc/11/69/87/988116987.db2.gz JCAFOVJBKGDBBC-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CSCC[C@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246580935 988116977 /nfs/dbraw/zinc/11/69/77/988116977.db2.gz JCAFOVJBKGDBBC-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CC(C)OCC[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246584167 988122671 /nfs/dbraw/zinc/12/26/71/988122671.db2.gz SOQUJIIKDGVMBP-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246584167 988122684 /nfs/dbraw/zinc/12/26/84/988122684.db2.gz SOQUJIIKDGVMBP-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1CC[C@H](N2CC(C)(C[NH3+])C2)C[C@H]1C ZINC001246586495 988145735 /nfs/dbraw/zinc/14/57/35/988145735.db2.gz BFKBSLADLIXBPI-UTUOFQBUSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CC[C@H]([NH+]2CC(C)(CN)C2)C[C@H]1C ZINC001246586495 988145748 /nfs/dbraw/zinc/14/57/48/988145748.db2.gz BFKBSLADLIXBPI-UTUOFQBUSA-N 1 3 210.365 2.092 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)N1CC(C[NH3+])C1 ZINC001246594106 988183898 /nfs/dbraw/zinc/18/38/98/988183898.db2.gz JSJLJIJMPVOTKF-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CC1(C[NH3+])CN(C2CCC(C)(C)CC2)C1 ZINC001246597751 988200101 /nfs/dbraw/zinc/20/01/01/988200101.db2.gz MOYNPNLTLWIWIV-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH+]1CC(C)(CN)C1 ZINC001246602429 988214573 /nfs/dbraw/zinc/21/45/73/988214573.db2.gz XIKVOOBDSNPDFT-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH+]1CC(C)(CN)C1 ZINC001246602428 988219005 /nfs/dbraw/zinc/21/90/05/988219005.db2.gz XIKVOOBDSNPDFT-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCCNC3)C1 ZINC001246608776 988225918 /nfs/dbraw/zinc/22/59/18/988225918.db2.gz JQSFOCFCROBADP-RDBSUJKOSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCCNC3)C1 ZINC001246608776 988225936 /nfs/dbraw/zinc/22/59/36/988225936.db2.gz JQSFOCFCROBADP-RDBSUJKOSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H]1C ZINC001246617537 988252779 /nfs/dbraw/zinc/25/27/79/988252779.db2.gz DBILPCBQUSZUSJ-CAEXGNQWSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H]1C ZINC001246617537 988252815 /nfs/dbraw/zinc/25/28/15/988252815.db2.gz DBILPCBQUSZUSJ-CAEXGNQWSA-N 1 3 236.403 2.495 20 0 BEADHO CC1(C)CCC[C@@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629778 988309173 /nfs/dbraw/zinc/30/91/73/988309173.db2.gz GLOOVYGWHCNHOJ-FRRDWIJNSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CCC[C@@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629778 988309188 /nfs/dbraw/zinc/30/91/88/988309188.db2.gz GLOOVYGWHCNHOJ-FRRDWIJNSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]1CCC[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636229 988323884 /nfs/dbraw/zinc/32/38/84/988323884.db2.gz FQPZPGIEUVFHPP-WUHRBBMRSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1CCC[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636229 988323900 /nfs/dbraw/zinc/32/39/00/988323900.db2.gz FQPZPGIEUVFHPP-WUHRBBMRSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655314 988385547 /nfs/dbraw/zinc/38/55/47/988385547.db2.gz HENGGZJFUBQPRD-JZRPKSSGSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655314 988385557 /nfs/dbraw/zinc/38/55/57/988385557.db2.gz HENGGZJFUBQPRD-JZRPKSSGSA-N 1 3 222.376 2.090 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246657455 988385846 /nfs/dbraw/zinc/38/58/46/988385846.db2.gz MHCHQAMZUXPSLY-IGQOVBAYSA-N 1 3 224.392 2.480 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246657455 988385860 /nfs/dbraw/zinc/38/58/60/988385860.db2.gz MHCHQAMZUXPSLY-IGQOVBAYSA-N 1 3 224.392 2.480 20 0 BEADHO CC[C@H](CC(C)C)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657337 988386799 /nfs/dbraw/zinc/38/67/99/988386799.db2.gz LYAPPIBBZBABMU-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655311 988386959 /nfs/dbraw/zinc/38/69/59/988386959.db2.gz HENGGZJFUBQPRD-FHUSYTEZSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246655311 988386973 /nfs/dbraw/zinc/38/69/73/988386973.db2.gz HENGGZJFUBQPRD-FHUSYTEZSA-N 1 3 222.376 2.090 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661408 988396588 /nfs/dbraw/zinc/39/65/88/988396588.db2.gz WVMYHYMFPFBHBB-BJJPWKGXSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661408 988396595 /nfs/dbraw/zinc/39/65/95/988396595.db2.gz WVMYHYMFPFBHBB-BJJPWKGXSA-N 1 3 224.392 2.336 20 0 BEADHO CCCC[C@H](CCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246667074 988410824 /nfs/dbraw/zinc/41/08/24/988410824.db2.gz XRVVYGXYMYXATN-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246667074 988410831 /nfs/dbraw/zinc/41/08/31/988410831.db2.gz XRVVYGXYMYXATN-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@H](CC)[N@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246842538 988546107 /nfs/dbraw/zinc/54/61/07/988546107.db2.gz CIJQFELMXXOATR-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)[N@@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246842538 988546114 /nfs/dbraw/zinc/54/61/14/988546114.db2.gz CIJQFELMXXOATR-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)[N@@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246842535 988547700 /nfs/dbraw/zinc/54/77/00/988547700.db2.gz CIJQFELMXXOATR-IHRRRGAJSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)[N@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246842535 988547708 /nfs/dbraw/zinc/54/77/08/988547708.db2.gz CIJQFELMXXOATR-IHRRRGAJSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246842035 988548979 /nfs/dbraw/zinc/54/89/79/988548979.db2.gz SWIAYLRCUHHJGQ-LPWJVIDDSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246846182 988558446 /nfs/dbraw/zinc/55/84/46/988558446.db2.gz NDDBSKYPKCPMMD-WOPDTQHZSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246846182 988558454 /nfs/dbraw/zinc/55/84/54/988558454.db2.gz NDDBSKYPKCPMMD-WOPDTQHZSA-N 1 3 210.365 2.105 20 0 BEADHO CCCCC[C@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947144 988782362 /nfs/dbraw/zinc/78/23/62/988782362.db2.gz IXEKUNBXOAJZGW-WUHRBBMRSA-N 1 3 210.365 2.105 20 0 BEADHO CCCC[C@@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948444 988786516 /nfs/dbraw/zinc/78/65/16/988786516.db2.gz QIUWDPDRHQTZEM-NDBYEHHHSA-N 1 3 210.365 2.105 20 0 BEADHO CC[C@H](C)C[C@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949546 988787519 /nfs/dbraw/zinc/78/75/19/988787519.db2.gz UBIVQKGRMBUJER-QSLWVIQJSA-N 1 3 224.392 2.351 20 0 BEADHO C[C@@H]1C[C@H](N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC001246951093 988788541 /nfs/dbraw/zinc/78/85/41/988788541.db2.gz ZPUXOAYWKXMCEZ-BJJPWKGXSA-N 1 3 236.403 2.351 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)CSC(C)(C)C ZINC001325743318 989247337 /nfs/dbraw/zinc/24/73/37/989247337.db2.gz LBMNBQSDHQHNJB-WDEREUQCSA-N 1 3 232.437 2.352 20 0 BEADHO C[NH2+][C@H](C)CCN[C@H](C)Cc1cccs1 ZINC001325744241 989248626 /nfs/dbraw/zinc/24/86/26/989248626.db2.gz RYMXUIPUDQDAFY-GHMZBOCLSA-N 1 3 226.389 2.267 20 0 BEADHO CC[C@@H]1CCCC[N@@H+]1CCNc1ccncc1 ZINC001120860973 989931904 /nfs/dbraw/zinc/93/19/04/989931904.db2.gz ZSNOESKTJQJWJJ-CQSZACIVSA-N 1 3 233.359 2.180 20 0 BEADHO CC[C@@H]1CCCC[N@H+]1CCNc1ccncc1 ZINC001120860973 989931913 /nfs/dbraw/zinc/93/19/13/989931913.db2.gz ZSNOESKTJQJWJJ-CQSZACIVSA-N 1 3 233.359 2.180 20 0 BEADHO CC(C)(C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC001120860870 989932037 /nfs/dbraw/zinc/93/20/37/989932037.db2.gz UVPNEVFGUFHVBW-UHFFFAOYSA-N 1 3 233.359 2.392 20 0 BEADHO CC(C)(C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC001120860870 989932045 /nfs/dbraw/zinc/93/20/45/989932045.db2.gz UVPNEVFGUFHVBW-UHFFFAOYSA-N 1 3 233.359 2.392 20 0 BEADHO C[C@H]1CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769271 991035121 /nfs/dbraw/zinc/03/51/21/991035121.db2.gz MMRNUECDKBYZRJ-ZDUSSCGKSA-N 1 3 248.370 2.221 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cccc(F)c3)[C@H]2C1 ZINC001308554299 991037241 /nfs/dbraw/zinc/03/72/41/991037241.db2.gz NVQJHFJYTGZLGU-AEGPPILISA-N 1 3 248.345 2.256 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC4(CCC4)C3)[C@H]2C1 ZINC001308983728 991251344 /nfs/dbraw/zinc/25/13/44/991251344.db2.gz AVYILQVSOFLQMX-FPMFFAJLSA-N 1 3 234.387 2.249 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)[C@@H]2C1 ZINC001560623367 991527798 /nfs/dbraw/zinc/52/77/98/991527798.db2.gz VGELHERJRJSIJZ-CFVMTHIKSA-N 1 3 248.345 2.256 20 0 BEADHO CC[NH+]1CCC(CN(C)Cc2ccoc2)CC1 ZINC001560679114 991547253 /nfs/dbraw/zinc/54/72/53/991547253.db2.gz BUGJBYPJSJTYBJ-UHFFFAOYSA-N 1 3 236.359 2.443 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]C1CC(N)C1 ZINC001258840555 991873173 /nfs/dbraw/zinc/87/31/73/991873173.db2.gz WAYPXCFROKJCCB-ROKHWSDSSA-N 1 3 218.344 2.087 20 0 BEADHO CC[C@H](Cc1ccccc1)NC1CC([NH3+])C1 ZINC001258840555 991873177 /nfs/dbraw/zinc/87/31/77/991873177.db2.gz WAYPXCFROKJCCB-ROKHWSDSSA-N 1 3 218.344 2.087 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H](C)N ZINC001261370810 992279412 /nfs/dbraw/zinc/27/94/12/992279412.db2.gz VCIGDOPNIOYFCQ-WDEREUQCSA-N 1 3 218.344 2.001 20 0 BEADHO FC1(F)CC[C@@H](CCN[C@H]2CCC[NH2+]C2)C1 ZINC001574227530 992824783 /nfs/dbraw/zinc/82/47/83/992824783.db2.gz URKVHTRVHUSNPY-QWRGUYRKSA-N 1 3 232.318 2.154 20 0 BEADHO [NH3+]C1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001574271020 992836689 /nfs/dbraw/zinc/83/66/89/992836689.db2.gz WTAYFLBGPOKORW-UKRRQHHQSA-N 1 3 230.355 2.213 20 0 BEADHO C1C[C@H]2CC[C@H](N[C@]34CCC[C@H]3[NH2+]CC4)[C@H]2C1 ZINC001574816452 992916666 /nfs/dbraw/zinc/91/66/66/992916666.db2.gz FKTARWNCTIRFBD-LXFSFDBISA-N 1 3 234.387 2.439 20 0 BEADHO CC(C)(C[NH3+])NCCc1ccc(F)cc1Cl ZINC001575317381 993011547 /nfs/dbraw/zinc/01/15/47/993011547.db2.gz AISBRFSRWZJWED-UHFFFAOYSA-N 1 3 244.741 2.349 20 0 BEADHO CC(C)(C[NH3+])NC1CC(C)(c2ccccc2)C1 ZINC001575318650 993012475 /nfs/dbraw/zinc/01/24/75/993012475.db2.gz XLLGHHTVVIXWBV-UHFFFAOYSA-N 1 3 232.371 2.434 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001575423815 993041253 /nfs/dbraw/zinc/04/12/53/993041253.db2.gz YPBYGDFYDFQJPZ-KBPBESRZSA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001575423815 993041259 /nfs/dbraw/zinc/04/12/59/993041259.db2.gz YPBYGDFYDFQJPZ-KBPBESRZSA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)OC1(C[NH2+][C@@H]2C[C@H](N)C2(C)C)CCC1 ZINC001575748627 993104727 /nfs/dbraw/zinc/10/47/27/993104727.db2.gz BZNRJZILKCYSFC-NWDGAFQWSA-N 1 3 240.391 2.050 20 0 BEADHO CC(C)OC1(C[NH2+][C@H]2C[C@H](N)C2(C)C)CCC1 ZINC001575748629 993104921 /nfs/dbraw/zinc/10/49/21/993104921.db2.gz BZNRJZILKCYSFC-RYUDHWBXSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665200 993198077 /nfs/dbraw/zinc/19/80/77/993198077.db2.gz FQECACHFXDOELQ-UPJWGTAASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665200 993198079 /nfs/dbraw/zinc/19/80/79/993198079.db2.gz FQECACHFXDOELQ-UPJWGTAASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H](N)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001576160112 993202496 /nfs/dbraw/zinc/20/24/96/993202496.db2.gz XZNHUTJBFINNNY-SECBINFHSA-N 1 3 246.276 2.228 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](N)C1)[C@@H]1CC2CCC1CC2 ZINC001576250368 993234548 /nfs/dbraw/zinc/23/45/48/993234548.db2.gz FKSGFBLSOYHODS-JRUDZLOGSA-N 1 3 222.376 2.281 20 0 BEADHO C[C@@H](CC1CC1)[N@@H+]1CCCC[C@H](CN)C1 ZINC000379855307 993290824 /nfs/dbraw/zinc/29/08/24/993290824.db2.gz BSZWEZJIMBIUCZ-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](CC1CC1)[N@H+]1CCCC[C@H](CN)C1 ZINC000379855307 993290834 /nfs/dbraw/zinc/29/08/34/993290834.db2.gz BSZWEZJIMBIUCZ-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CC1(C)CC[C@H](CNC[C@@H]2CCSC2)[NH2+]C1 ZINC001576420966 993299326 /nfs/dbraw/zinc/29/93/26/993299326.db2.gz DSWDSVTVIQEPEG-NWDGAFQWSA-N 1 3 242.432 2.107 20 0 BEADHO C[C@@H]1CC([N@@H+]2CCCC[C@H](CN)C2)C[C@@H](C)O1 ZINC000379928233 993300382 /nfs/dbraw/zinc/30/03/82/993300382.db2.gz TVMHHFDHKHFVSX-JHJVBQTASA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC([N@H+]2CCCC[C@H](CN)C2)C[C@@H](C)O1 ZINC000379928233 993300390 /nfs/dbraw/zinc/30/03/90/993300390.db2.gz TVMHHFDHKHFVSX-JHJVBQTASA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001576477172 993315432 /nfs/dbraw/zinc/31/54/32/993315432.db2.gz REOMWOYHVBLWRN-XQHKEYJVSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@H]1CCC(C)(C)C[C@H]1[NH2+][C@@H]1CCNC1 ZINC001576647935 993382725 /nfs/dbraw/zinc/38/27/25/993382725.db2.gz VNQAVMFGHNUVEE-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO CCC(C)(C)OCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC001576948416 993462614 /nfs/dbraw/zinc/46/26/14/993462614.db2.gz PWANKMBNMWVHSD-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO CCC(C)(C)OCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC001576948414 993462702 /nfs/dbraw/zinc/46/27/02/993462702.db2.gz PWANKMBNMWVHSD-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H](N)[C@H]1C ZINC000385122419 993650966 /nfs/dbraw/zinc/65/09/66/993650966.db2.gz DJEUUEAAZAFWFW-BXUZGUMPSA-N 1 3 243.354 2.398 20 0 BEADHO Cc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC000385122419 993650970 /nfs/dbraw/zinc/65/09/70/993650970.db2.gz DJEUUEAAZAFWFW-BXUZGUMPSA-N 1 3 243.354 2.398 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCNC[C@H](C)C1 ZINC000385292885 993656552 /nfs/dbraw/zinc/65/65/52/993656552.db2.gz GQCBIOTWDFJIKK-LBPRGKRZSA-N 1 3 232.371 2.345 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCNC[C@H](C)C1 ZINC000385292885 993656556 /nfs/dbraw/zinc/65/65/56/993656556.db2.gz GQCBIOTWDFJIKK-LBPRGKRZSA-N 1 3 232.371 2.345 20 0 BEADHO CCCCOc1ccccc1CNC/C=C/C[NH3+] ZINC001577473289 993668588 /nfs/dbraw/zinc/66/85/88/993668588.db2.gz VAGAEEAYQJVNSW-VOTSOKGWSA-N 1 3 248.370 2.470 20 0 BEADHO CCCSC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001577596952 993691095 /nfs/dbraw/zinc/69/10/95/993691095.db2.gz NSKBMHKCZGUWHU-WOPDTQHZSA-N 1 3 230.421 2.248 20 0 BEADHO CCCSC[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001577596952 993691102 /nfs/dbraw/zinc/69/11/02/993691102.db2.gz NSKBMHKCZGUWHU-WOPDTQHZSA-N 1 3 230.421 2.248 20 0 BEADHO CC[N@H+](C[C@@H](C)OC)C[C@H](N)CCC(C)(C)C ZINC001577672053 993721717 /nfs/dbraw/zinc/72/17/17/993721717.db2.gz SETSLJDYAWDXOO-CHWSQXEVSA-N 1 3 244.423 2.497 20 0 BEADHO CC[N@@H+](C[C@@H](C)OC)C[C@H](N)CCC(C)(C)C ZINC001577672053 993721727 /nfs/dbraw/zinc/72/17/27/993721727.db2.gz SETSLJDYAWDXOO-CHWSQXEVSA-N 1 3 244.423 2.497 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001621570549 1170164100 /nfs/dbraw/zinc/16/41/00/1170164100.db2.gz XACUCJSLKICMMB-NMFUWQPSSA-N 1 3 236.403 2.495 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)[C@H]1CCCO1 ZINC001621573886 1170860281 /nfs/dbraw/zinc/86/02/81/1170860281.db2.gz VVDWTFRHROQINK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC001621573886 1170860289 /nfs/dbraw/zinc/86/02/89/1170860289.db2.gz VVDWTFRHROQINK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO C1CC[C@@H]2[C@H](C1)CCCN2[C@@H]1CCC[NH2+]C1 ZINC000036827154 1170919023 /nfs/dbraw/zinc/91/90/23/1170919023.db2.gz HBTGAYJPEGRVRI-MGPQQGTHSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCNCC1 ZINC000038041384 1171009490 /nfs/dbraw/zinc/00/94/90/1171009490.db2.gz ZIOIXNQDFCIJAY-GFCCVEGCSA-N 1 3 248.370 2.055 20 0 BEADHO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCNC1 ZINC000042611054 1171243230 /nfs/dbraw/zinc/24/32/30/1171243230.db2.gz DHFGMHRDZVJKGO-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCNC1 ZINC000042611054 1171243239 /nfs/dbraw/zinc/24/32/39/1171243239.db2.gz DHFGMHRDZVJKGO-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000050249097 1171785540 /nfs/dbraw/zinc/78/55/40/1171785540.db2.gz UJAUZMFNMPEZBQ-CYBMUJFWSA-N 1 3 241.338 2.015 20 0 BEADHO CC[C@H](N)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346374 1171796653 /nfs/dbraw/zinc/79/66/53/1171796653.db2.gz ZCRLFYZFLUFIPQ-LBPRGKRZSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)(C)C1CC[NH+](C2CCNCC2)CC1 ZINC000050347148 1171797269 /nfs/dbraw/zinc/79/72/69/1171797269.db2.gz LETWFTHLPJFDPM-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO C1=C(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000385161150 398137451 /nfs/dbraw/zinc/13/74/51/398137451.db2.gz LGXHNRLEPRCWSA-KBPBESRZSA-N 1 3 220.360 2.028 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NC1(c2ccccc2)CC1 ZINC000422939353 398158710 /nfs/dbraw/zinc/15/87/10/398158710.db2.gz RDBGWMVSLCCYRC-VXGBXAGGSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000422942352 398159153 /nfs/dbraw/zinc/15/91/53/398159153.db2.gz PLDJAMFYQPESSH-NXEZZACHSA-N 1 3 233.359 2.298 20 0 BEADHO CCOCCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCC1 ZINC000422942827 398159219 /nfs/dbraw/zinc/15/92/19/398159219.db2.gz QGJMBVDQQYPFRB-CHWSQXEVSA-N 1 3 242.407 2.299 20 0 BEADHO Cc1cc(CN2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000050245565 178004226 /nfs/dbraw/zinc/00/42/26/178004226.db2.gz ZPKZAEYQPVVGID-LLVKDONJSA-N 1 3 224.373 2.146 20 0 BEADHO CCC1(CC)[C@H]([NH2+][C@H](C)C[C@@H](C)N)C[C@@H]1OC ZINC000422943705 398159266 /nfs/dbraw/zinc/15/92/66/398159266.db2.gz RDGURCYWILVPJI-LPWJVIDDSA-N 1 3 242.407 2.296 20 0 BEADHO CCC1(CC)[C@H](N[C@H](C)C[C@@H](C)[NH3+])C[C@@H]1OC ZINC000422943705 398159268 /nfs/dbraw/zinc/15/92/68/398159268.db2.gz RDGURCYWILVPJI-LPWJVIDDSA-N 1 3 242.407 2.296 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000415012712 398153977 /nfs/dbraw/zinc/15/39/77/398153977.db2.gz UCNQQAFBRVAECK-NWDGAFQWSA-N 1 3 206.333 2.129 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC1(c2ccccc2)CC1 ZINC000422939351 398158311 /nfs/dbraw/zinc/15/83/11/398158311.db2.gz RDBGWMVSLCCYRC-NWDGAFQWSA-N 1 3 218.344 2.391 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NC1(c2ccccc2)CC1 ZINC000422939350 398158399 /nfs/dbraw/zinc/15/83/99/398158399.db2.gz RDBGWMVSLCCYRC-NEPJUHHUSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1cc(C[NH2+]C[C@@H](C)CN(C)C)cs1 ZINC000295623138 178023547 /nfs/dbraw/zinc/02/35/47/178023547.db2.gz FGJDWAXHKQPKOE-SNVBAGLBSA-N 1 3 226.389 2.344 20 0 BEADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H](N)C2)CCO1 ZINC000563426363 398170829 /nfs/dbraw/zinc/17/08/29/398170829.db2.gz UDXMUTMGCGKWFY-AAVRWANBSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000584242204 398221559 /nfs/dbraw/zinc/22/15/59/398221559.db2.gz KYONCADIZWHUNZ-KBPBESRZSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)c1cccnc1 ZINC000584242204 398221563 /nfs/dbraw/zinc/22/15/63/398221563.db2.gz KYONCADIZWHUNZ-KBPBESRZSA-N 1 3 247.386 2.219 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000576458089 365601078 /nfs/dbraw/zinc/60/10/78/365601078.db2.gz IEDJYQUGLXFICV-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)NCCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000576694691 365657757 /nfs/dbraw/zinc/65/77/57/365657757.db2.gz MSHXZBIVKSFWLE-VXGBXAGGSA-N 1 3 212.381 2.399 20 0 BEADHO CC1(CN2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000334587514 398270521 /nfs/dbraw/zinc/27/05/21/398270521.db2.gz OKJAMFWPAMRNBU-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000037220378 538962083 /nfs/dbraw/zinc/96/20/83/538962083.db2.gz RNEZHQYWTDRPNR-QWHCGFSZSA-N 1 3 247.386 2.463 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCNCC1 ZINC000335602369 136235692 /nfs/dbraw/zinc/23/56/92/136235692.db2.gz YKQOMZAQNUPYPQ-OAHLLOKOSA-N 1 3 230.355 2.324 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622289 538971879 /nfs/dbraw/zinc/97/18/79/538971879.db2.gz DVLASFIIZGGXPS-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO CCC1CC([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000309715666 342799300 /nfs/dbraw/zinc/79/93/00/342799300.db2.gz SRRNNHGWVIGJRX-ROKHWSDSSA-N 1 3 224.392 2.495 20 0 BEADHO FC1(F)CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000383928835 539012358 /nfs/dbraw/zinc/01/23/58/539012358.db2.gz BHCOFLJHKWKGTD-SDDRHHMPSA-N 1 3 244.329 2.391 20 0 BEADHO FC1(F)CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000383928835 539012359 /nfs/dbraw/zinc/01/23/59/539012359.db2.gz BHCOFLJHKWKGTD-SDDRHHMPSA-N 1 3 244.329 2.391 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000232720704 342879466 /nfs/dbraw/zinc/87/94/66/342879466.db2.gz FELIBMYCWFOYPT-VXGBXAGGSA-N 1 3 210.365 2.282 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000235171310 342991207 /nfs/dbraw/zinc/99/12/07/342991207.db2.gz KQYHCJBEQRIMEK-NWDGAFQWSA-N 1 3 230.421 2.379 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000351856983 136258367 /nfs/dbraw/zinc/25/83/67/136258367.db2.gz AHWCYIIWZQIXEX-ITDIGPHOSA-N 1 3 248.345 2.482 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccncc1 ZINC000424377405 529656081 /nfs/dbraw/zinc/65/60/81/529656081.db2.gz RDZQXDOZTGJETJ-HZSPNIEDSA-N 1 3 233.359 2.392 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000308838081 346924750 /nfs/dbraw/zinc/92/47/50/346924750.db2.gz XCGXDKPHWFXHME-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000308846773 346924190 /nfs/dbraw/zinc/92/41/90/346924190.db2.gz LPLUATDLUAEKDU-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336702779 187231685 /nfs/dbraw/zinc/23/16/85/187231685.db2.gz QBWIBCNBQQWSCN-ACJTYDJDSA-N 1 3 210.365 2.294 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000094183060 343152539 /nfs/dbraw/zinc/15/25/39/343152539.db2.gz AOPJMCQKPRLAMH-GJZGRUSLSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccccc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000094183060 343152540 /nfs/dbraw/zinc/15/25/40/343152540.db2.gz AOPJMCQKPRLAMH-GJZGRUSLSA-N 1 3 232.371 2.397 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2cccc3ncccc23)C1 ZINC000634687521 343241234 /nfs/dbraw/zinc/24/12/34/343241234.db2.gz OGXOUMMLBWIDLU-GFCCVEGCSA-N 1 3 241.338 2.015 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1CCCNCC1 ZINC000335650854 136305205 /nfs/dbraw/zinc/30/52/05/136305205.db2.gz QSELBDNLLMWYPW-CABCVRRESA-N 1 3 244.382 2.448 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166214822 136309519 /nfs/dbraw/zinc/30/95/19/136309519.db2.gz HXBYFTYRGJLPQR-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Fc1cccc(CCC[N@@H+]2CCCNCC2)c1 ZINC000041271286 343418329 /nfs/dbraw/zinc/41/83/29/343418329.db2.gz QQTUDBGZXYSFHT-UHFFFAOYSA-N 1 3 236.334 2.054 20 0 BEADHO Fc1cccc(CCC[N@H+]2CCCNCC2)c1 ZINC000041271286 343418332 /nfs/dbraw/zinc/41/83/32/343418332.db2.gz QQTUDBGZXYSFHT-UHFFFAOYSA-N 1 3 236.334 2.054 20 0 BEADHO C[N@H+](CCCN1CCCC1)CCc1ccncc1 ZINC000041300041 343418557 /nfs/dbraw/zinc/41/85/57/343418557.db2.gz LRBUFTAQHLWWKH-UHFFFAOYSA-N 1 3 247.386 2.042 20 0 BEADHO C[N@@H+](CCCN1CCCC1)CCc1ccncc1 ZINC000041300041 343418559 /nfs/dbraw/zinc/41/85/59/343418559.db2.gz LRBUFTAQHLWWKH-UHFFFAOYSA-N 1 3 247.386 2.042 20 0 BEADHO CC1=C[C@H](C)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000335891841 136358820 /nfs/dbraw/zinc/35/88/20/136358820.db2.gz AYVKIMNBQWTOCX-GXTWGEPZSA-N 1 3 222.376 2.369 20 0 BEADHO CC1=C[C@H](C)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000335891841 136358821 /nfs/dbraw/zinc/35/88/21/136358821.db2.gz AYVKIMNBQWTOCX-GXTWGEPZSA-N 1 3 222.376 2.369 20 0 BEADHO CSC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000602922604 349811845 /nfs/dbraw/zinc/81/18/45/349811845.db2.gz KTJGAYPEGHPHIV-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000602922604 349811847 /nfs/dbraw/zinc/81/18/47/349811847.db2.gz KTJGAYPEGHPHIV-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO CC(C)CC[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000087646109 343656350 /nfs/dbraw/zinc/65/63/50/343656350.db2.gz SVFFDSYYQDXKEY-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C/C=C/CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000384648551 343701920 /nfs/dbraw/zinc/70/19/20/343701920.db2.gz ABXPOWKYNNQWGV-OQXJOHJWSA-N 1 3 208.349 2.073 20 0 BEADHO C([NH2+]C1CCCCCC1)[C@H]1CCCNC1 ZINC000040397408 187273786 /nfs/dbraw/zinc/27/37/86/187273786.db2.gz BSNGJERMQQZLOF-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CCc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527782 343781573 /nfs/dbraw/zinc/78/15/73/343781573.db2.gz PBCQXKULBZXKSP-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000387661141 346994792 /nfs/dbraw/zinc/99/47/92/346994792.db2.gz HLONGKNINXWJNM-VOAKCMCISA-N 1 3 210.365 2.140 20 0 BEADHO CCSCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000159072873 347009372 /nfs/dbraw/zinc/00/93/72/347009372.db2.gz IVAVKVLVWCGJDV-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CCC[C@H](CNCCC[NH+]1CCCCC1)OC ZINC000395157407 362282525 /nfs/dbraw/zinc/28/25/25/362282525.db2.gz CLMSTTHAOICXLP-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733441 344113318 /nfs/dbraw/zinc/11/33/18/344113318.db2.gz FYIFOVKNAVEJGV-UTUOFQBUSA-N 1 3 210.365 2.010 20 0 BEADHO CC1(C[NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000634733978 344114618 /nfs/dbraw/zinc/11/46/18/344114618.db2.gz TYTSQFNKTLLMNE-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000093215833 344312557 /nfs/dbraw/zinc/31/25/57/344312557.db2.gz GDUJXRCULGPZLB-KBPBESRZSA-N 1 3 248.370 2.315 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCCOc2ccccc2)C1 ZINC000093215833 344312561 /nfs/dbraw/zinc/31/25/61/344312561.db2.gz GDUJXRCULGPZLB-KBPBESRZSA-N 1 3 248.370 2.315 20 0 BEADHO CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000132417741 344302107 /nfs/dbraw/zinc/30/21/07/344302107.db2.gz MUAWYPUPNOEPCQ-RWMBFGLXSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(F)cc1F ZINC000584285622 344419713 /nfs/dbraw/zinc/41/97/13/344419713.db2.gz VMPIVKFNKSBTDD-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000584285622 344419716 /nfs/dbraw/zinc/41/97/16/344419716.db2.gz VMPIVKFNKSBTDD-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000336775441 537847368 /nfs/dbraw/zinc/84/73/68/537847368.db2.gz ZARUZAPKYKPJOW-UONOGXRCSA-N 1 3 220.360 2.027 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336775298 537847661 /nfs/dbraw/zinc/84/76/61/537847661.db2.gz YQLRBDVDSJKBTB-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251104105 187359173 /nfs/dbraw/zinc/35/91/73/187359173.db2.gz AWTLYUULITXOEX-LPWJVIDDSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)[C@H]1CCCNC1 ZINC000573967520 344580278 /nfs/dbraw/zinc/58/02/78/344580278.db2.gz SOZKQKOMJUXOMT-WUHRBBMRSA-N 1 3 228.355 2.245 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1C)CN1CCCC1 ZINC000083402359 133525040 /nfs/dbraw/zinc/52/50/40/133525040.db2.gz WMRXFPXICXMAJT-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CCOCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076107 537873252 /nfs/dbraw/zinc/87/32/52/537873252.db2.gz SFEZTFSMGHFBTK-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076107 537873257 /nfs/dbraw/zinc/87/32/57/537873257.db2.gz SFEZTFSMGHFBTK-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339076107 537873259 /nfs/dbraw/zinc/87/32/59/537873259.db2.gz SFEZTFSMGHFBTK-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000583428569 344946778 /nfs/dbraw/zinc/94/67/78/344946778.db2.gz GSARZHMAHIBHAP-JOYOIKCWSA-N 1 3 240.297 2.182 20 0 BEADHO C([NH2+][C@H]1C[C@H]1C1CCCCC1)C12CC(C1)CN2 ZINC000634996326 345187556 /nfs/dbraw/zinc/18/75/56/345187556.db2.gz HBOADTBGAQEHGI-IFFKYPLHSA-N 1 3 234.387 2.297 20 0 BEADHO CCC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000635021952 345224210 /nfs/dbraw/zinc/22/42/10/345224210.db2.gz QHQIXDIHJMQKOK-YNEHKIRRSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CCCC12CC2 ZINC000634997609 345197675 /nfs/dbraw/zinc/19/76/75/345197675.db2.gz OZHRGDSBCCWAAX-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@H](N)C[NH+]1CCC(CCF)CC1 ZINC000634999477 345200590 /nfs/dbraw/zinc/20/05/90/345200590.db2.gz VEUGGOFDBALAPN-ZDUSSCGKSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H](CC1CCC1)N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001786 345201315 /nfs/dbraw/zinc/20/13/15/345201315.db2.gz FYULFGKGFONEHK-GVXVVHGQSA-N 1 3 210.365 2.153 20 0 BEADHO CCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999850 345201356 /nfs/dbraw/zinc/20/13/56/345201356.db2.gz AQURBSVDWVUSQA-TZMCWYRMSA-N 1 3 248.370 2.112 20 0 BEADHO C1CC12CCC[C@H]2[NH2+][C@H]1CCCNCC1 ZINC000634998047 345202699 /nfs/dbraw/zinc/20/26/99/345202699.db2.gz ZTRVOEFXMQDBJV-NWDGAFQWSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H]([NH2+]Cc1cccc2c1CCNC2)[C@@H]1C[C@H]1C ZINC000635002895 345205619 /nfs/dbraw/zinc/20/56/19/345205619.db2.gz AYSPRIQVLVUVIC-BFQNTYOBSA-N 1 3 244.382 2.466 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000635004212 345207746 /nfs/dbraw/zinc/20/77/46/345207746.db2.gz NOLDUJYGHHPLDE-GBOPCIDUSA-N 1 3 248.370 2.232 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635011122 345212618 /nfs/dbraw/zinc/21/26/18/345212618.db2.gz MHBATPVWVMNCNK-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635012566 345214711 /nfs/dbraw/zinc/21/47/11/345214711.db2.gz WJCHVXSJMMDQMF-LBPRGKRZSA-N 1 3 232.371 2.466 20 0 BEADHO Cc1scc(C[NH2+][C@H]2CCC[C@@H]2N)c1C ZINC000635023079 345221913 /nfs/dbraw/zinc/22/19/13/345221913.db2.gz RMOMIWCSEQCUQT-RYUDHWBXSA-N 1 3 224.373 2.334 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000231188353 345752004 /nfs/dbraw/zinc/75/20/04/345752004.db2.gz HYIOFUWRKSUPLL-YPMHNXCESA-N 1 3 236.359 2.473 20 0 BEADHO CCN(CC)CC(C)C[NH+](CC)CC ZINC000166598691 345721658 /nfs/dbraw/zinc/72/16/58/345721658.db2.gz LDGNVRTTXRQYRY-UHFFFAOYSA-N 1 3 200.370 2.306 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000181132612 345929062 /nfs/dbraw/zinc/92/90/62/345929062.db2.gz DDKNNRVTFYQVCL-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000181132612 345929064 /nfs/dbraw/zinc/92/90/64/345929064.db2.gz DDKNNRVTFYQVCL-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181132612 345929068 /nfs/dbraw/zinc/92/90/68/345929068.db2.gz DDKNNRVTFYQVCL-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO CCc1cc(NC[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000307767797 345949646 /nfs/dbraw/zinc/94/96/46/345949646.db2.gz IYLDFPNBLHJXDN-LBPRGKRZSA-N 1 3 233.359 2.398 20 0 BEADHO CCc1cc(NC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000307767797 345949648 /nfs/dbraw/zinc/94/96/48/345949648.db2.gz IYLDFPNBLHJXDN-LBPRGKRZSA-N 1 3 233.359 2.398 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000577079241 365808114 /nfs/dbraw/zinc/80/81/14/365808114.db2.gz IVAAPRNUIIXZHS-MNOVXSKESA-N 1 3 229.327 2.060 20 0 BEADHO C[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000669378417 537966902 /nfs/dbraw/zinc/96/69/02/537966902.db2.gz DOEIRAGADRROJI-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCNC1 ZINC000669378417 537966905 /nfs/dbraw/zinc/96/69/05/537966905.db2.gz DOEIRAGADRROJI-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCCNC1 ZINC000669378417 537966912 /nfs/dbraw/zinc/96/69/12/537966912.db2.gz DOEIRAGADRROJI-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000228073122 179035993 /nfs/dbraw/zinc/03/59/93/179035993.db2.gz PYSCRZKQBZUQDH-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000228073122 179035995 /nfs/dbraw/zinc/03/59/95/179035995.db2.gz PYSCRZKQBZUQDH-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCCNCC1 ZINC000122154679 179035387 /nfs/dbraw/zinc/03/53/87/179035387.db2.gz XJUQGSAKICQCEM-UHFFFAOYSA-N 1 3 218.344 2.099 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCCNCC1 ZINC000122154679 179035388 /nfs/dbraw/zinc/03/53/88/179035388.db2.gz XJUQGSAKICQCEM-UHFFFAOYSA-N 1 3 218.344 2.099 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000228073111 179035749 /nfs/dbraw/zinc/03/57/49/179035749.db2.gz PYSCRZKQBZUQDH-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000228073111 179035751 /nfs/dbraw/zinc/03/57/51/179035751.db2.gz PYSCRZKQBZUQDH-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000669378419 537966255 /nfs/dbraw/zinc/96/62/55/537966255.db2.gz DOEIRAGADRROJI-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCCNC1 ZINC000669378419 537966264 /nfs/dbraw/zinc/96/62/64/537966264.db2.gz DOEIRAGADRROJI-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCCNC1 ZINC000669378419 537966272 /nfs/dbraw/zinc/96/62/72/537966272.db2.gz DOEIRAGADRROJI-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO Cc1cccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000107935070 179081520 /nfs/dbraw/zinc/08/15/20/179081520.db2.gz BPSLYPCHBVNWEJ-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO CC[C@H]1CCC[C@@H](C[N@H+](C)CCCN)C1 ZINC000394504802 346423560 /nfs/dbraw/zinc/42/35/60/346423560.db2.gz FCASSFUWLJELPC-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@H]1CCC[C@@H](C[N@@H+](C)CCCN)C1 ZINC000394504802 346423563 /nfs/dbraw/zinc/42/35/63/346423563.db2.gz FCASSFUWLJELPC-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@H]1CCC[C@@H](CN(C)CCC[NH3+])C1 ZINC000394504802 346423565 /nfs/dbraw/zinc/42/35/65/346423565.db2.gz FCASSFUWLJELPC-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1cccc(CN2CC[C@H](C[NH3+])C2)c1C ZINC000050245535 179081954 /nfs/dbraw/zinc/08/19/54/179081954.db2.gz HAHXYLPZNSHCMZ-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@H](CN)C2)c1C ZINC000050245535 179081956 /nfs/dbraw/zinc/08/19/56/179081956.db2.gz HAHXYLPZNSHCMZ-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@H](CN)C2)c1C ZINC000050245535 179081959 /nfs/dbraw/zinc/08/19/59/179081959.db2.gz HAHXYLPZNSHCMZ-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(CNC2CC[NH+](C)CC2)c1C ZINC000048436596 179091154 /nfs/dbraw/zinc/09/11/54/179091154.db2.gz HCFMRIQDUUNQOX-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@H](N)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000641800917 362752976 /nfs/dbraw/zinc/75/29/76/362752976.db2.gz IOKRKMHDXRLBRN-NSHDSACASA-N 1 3 218.344 2.127 20 0 BEADHO C[C@H](N)C[N@H+]1CCc2ccccc2C1(C)C ZINC000641800917 362752981 /nfs/dbraw/zinc/75/29/81/362752981.db2.gz IOKRKMHDXRLBRN-NSHDSACASA-N 1 3 218.344 2.127 20 0 BEADHO Cc1ccc(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802609 362755430 /nfs/dbraw/zinc/75/54/30/362755430.db2.gz NRLCTDJBUFCHLZ-KGLIPLIRSA-N 1 3 232.371 2.253 20 0 BEADHO Cc1cnccc1C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1CN ZINC000641806385 362764995 /nfs/dbraw/zinc/76/49/95/362764995.db2.gz RIPAHFCEZSMLRI-ZLDLUXBVSA-N 1 3 247.386 2.338 20 0 BEADHO Cc1cnccc1C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1CN ZINC000641806385 362765000 /nfs/dbraw/zinc/76/50/00/362765000.db2.gz RIPAHFCEZSMLRI-ZLDLUXBVSA-N 1 3 247.386 2.338 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)N)c1 ZINC000380055316 365824203 /nfs/dbraw/zinc/82/42/03/365824203.db2.gz YAWDZARAVJPXAA-LLVKDONJSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000580182195 346621386 /nfs/dbraw/zinc/62/13/86/346621386.db2.gz RYMZVISCZDSYNX-HBNTYKKESA-N 1 3 226.389 2.395 20 0 BEADHO Cc1cccc(OCCN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163194604 179166000 /nfs/dbraw/zinc/16/60/00/179166000.db2.gz IWDJZXHEHHTUFB-ZIAGYGMSSA-N 1 3 248.370 2.043 20 0 BEADHO COC[C@H](C)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000188377897 346806265 /nfs/dbraw/zinc/80/62/65/346806265.db2.gz XIGZKNLIUUBHLM-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@@H](C)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000188377946 346806669 /nfs/dbraw/zinc/80/66/69/346806669.db2.gz XIGZKNLIUUBHLM-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@@H](C)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000188377969 346806725 /nfs/dbraw/zinc/80/67/25/346806725.db2.gz XIGZKNLIUUBHLM-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccnc1 ZINC000582063402 347157445 /nfs/dbraw/zinc/15/74/45/347157445.db2.gz CPBZSQGDRWUSMP-GFCCVEGCSA-N 1 3 241.338 2.391 20 0 BEADHO Cc1cccc([C@@H](C)N2CCC([NH3+])CC2)c1 ZINC000041046862 179178112 /nfs/dbraw/zinc/17/81/12/179178112.db2.gz MFJLRSBGDHTRRM-GFCCVEGCSA-N 1 3 218.344 2.479 20 0 BEADHO Cc1cccc([C@H](C)[N@@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313352784 179192591 /nfs/dbraw/zinc/19/25/91/179192591.db2.gz LTDOBSNNVSFANF-ZFWWWQNUSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1cccc([C@H](C)[N@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313352784 179192595 /nfs/dbraw/zinc/19/25/95/179192595.db2.gz LTDOBSNNVSFANF-ZFWWWQNUSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1cccc([C@H](C)N2CC[C@@H](C[NH3+])C2)c1 ZINC000251201748 179194732 /nfs/dbraw/zinc/19/47/32/179194732.db2.gz UQMWVBRNPKQUTF-STQMWFEESA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CN)C2)c1 ZINC000251201748 179194734 /nfs/dbraw/zinc/19/47/34/179194734.db2.gz UQMWVBRNPKQUTF-STQMWFEESA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CN)C2)c1 ZINC000251201748 179194737 /nfs/dbraw/zinc/19/47/37/179194737.db2.gz UQMWVBRNPKQUTF-STQMWFEESA-N 1 3 218.344 2.337 20 0 BEADHO Cc1ccccc1CCCN1CCC([NH3+])CC1 ZINC000011729480 179261619 /nfs/dbraw/zinc/26/16/19/179261619.db2.gz NBHAXRVDQFJBAS-UHFFFAOYSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1c[nH+]ccc1NC1CCN(C2CC2)CC1 ZINC000195343140 347631221 /nfs/dbraw/zinc/63/12/21/347631221.db2.gz HFTRTFVYMSBEFK-UHFFFAOYSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000094182726 179267424 /nfs/dbraw/zinc/26/74/24/179267424.db2.gz KSNYARNHFBWAAD-LSDHHAIUSA-N 1 3 232.371 2.255 20 0 BEADHO Cc1ccccc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163438015 179277058 /nfs/dbraw/zinc/27/70/58/179277058.db2.gz DVWDWYGCPMUCEO-DZGCQCFKSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000163438015 179277059 /nfs/dbraw/zinc/27/70/59/179277059.db2.gz DVWDWYGCPMUCEO-DZGCQCFKSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000163438015 179277062 /nfs/dbraw/zinc/27/70/62/179277062.db2.gz DVWDWYGCPMUCEO-DZGCQCFKSA-N 1 3 232.371 2.412 20 0 BEADHO CCS[C@@H]1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)C1 ZINC000592476774 347791462 /nfs/dbraw/zinc/79/14/62/347791462.db2.gz YQOSOLKYZUKUQU-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO Cc1ccccc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000309003978 179321580 /nfs/dbraw/zinc/32/15/80/179321580.db2.gz STIVIZNYQUKWGV-CMPLNLGQSA-N 1 3 206.333 2.240 20 0 BEADHO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)N)s1 ZINC000308534181 323175193 /nfs/dbraw/zinc/17/51/93/323175193.db2.gz LUQOKQDCUQPPMG-IUCAKERBSA-N 1 3 212.362 2.136 20 0 BEADHO NCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000202728502 348043944 /nfs/dbraw/zinc/04/39/44/348043944.db2.gz JWZCYSNNROAHDN-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO NCCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000202728502 348043945 /nfs/dbraw/zinc/04/39/45/348043945.db2.gz JWZCYSNNROAHDN-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO [NH3+]CCCN1CCCC[C@H]1Cc1ccccc1 ZINC000202728502 348043946 /nfs/dbraw/zinc/04/39/46/348043946.db2.gz JWZCYSNNROAHDN-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO CSCC1(CC[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000596651880 348606174 /nfs/dbraw/zinc/60/61/74/348606174.db2.gz RHODEEIGOCFSHP-RYUDHWBXSA-N 1 3 242.432 2.379 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248372851 349125061 /nfs/dbraw/zinc/12/50/61/349125061.db2.gz DDKNNRVTFYQVCL-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248372851 349125066 /nfs/dbraw/zinc/12/50/66/349125066.db2.gz DDKNNRVTFYQVCL-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248372851 349125069 /nfs/dbraw/zinc/12/50/69/349125069.db2.gz DDKNNRVTFYQVCL-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)C[C@H](C)O1 ZINC000252149506 349197010 /nfs/dbraw/zinc/19/70/10/349197010.db2.gz OKEOZZVAUMEHEQ-BTTYYORXSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000388634451 349279214 /nfs/dbraw/zinc/27/92/14/349279214.db2.gz MEHMUEDDJOQREN-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](NCCCC[NH3+])c1ccc(F)cn1 ZINC000161321684 349421707 /nfs/dbraw/zinc/42/17/07/349421707.db2.gz CVHPCHHKZZKKGR-NSHDSACASA-N 1 3 225.311 2.000 20 0 BEADHO CCc1nc([C@H](C)N[C@@H](C)CCC[NH3+])cs1 ZINC000422703038 192434962 /nfs/dbraw/zinc/43/49/62/192434962.db2.gz GSBKQKXFMKYOJF-UWVGGRQHSA-N 1 3 241.404 2.484 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422711560 192436994 /nfs/dbraw/zinc/43/69/94/192436994.db2.gz MWBJSEPZFLYZKN-WSMDXJOWSA-N 1 3 210.365 2.294 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)CN1CCCC1 ZINC000083402362 350196163 /nfs/dbraw/zinc/19/61/63/350196163.db2.gz WMRXFPXICXMAJT-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041621 350302877 /nfs/dbraw/zinc/30/28/77/350302877.db2.gz BJQOVXMHKXNMNK-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCc2ccc(F)cc21 ZINC000423226579 490477989 /nfs/dbraw/zinc/47/79/89/490477989.db2.gz RGFQWTRCKFATTM-TVQRCGJNSA-N 1 3 222.307 2.140 20 0 BEADHO Cc1ccncc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623539464 362958172 /nfs/dbraw/zinc/95/81/72/362958172.db2.gz PKKFRFNBGCIUQQ-CQSZACIVSA-N 1 3 247.386 2.352 20 0 BEADHO COc1cccc2c1CCC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000577482269 365963446 /nfs/dbraw/zinc/96/34/46/365963446.db2.gz YTSBFUCZKATLBP-FZMZJTMJSA-N 1 3 248.370 2.257 20 0 BEADHO CC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000060720696 350498844 /nfs/dbraw/zinc/49/88/44/350498844.db2.gz NNLSWNZYQXHCHB-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689627 365992005 /nfs/dbraw/zinc/99/20/05/365992005.db2.gz ZQPUSVQSLFJNHX-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689627 365992006 /nfs/dbraw/zinc/99/20/06/365992006.db2.gz ZQPUSVQSLFJNHX-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO CCCCN(C)CCC[NH+](CC)CC ZINC000041210418 350784185 /nfs/dbraw/zinc/78/41/85/350784185.db2.gz CTWPVMXNOJUBDH-UHFFFAOYSA-N 1 3 200.370 2.450 20 0 BEADHO CCCC[N@H+](C)CCCN(CC)CC ZINC000041210418 350784187 /nfs/dbraw/zinc/78/41/87/350784187.db2.gz CTWPVMXNOJUBDH-UHFFFAOYSA-N 1 3 200.370 2.450 20 0 BEADHO CCCC[N@@H+](C)CCCN(CC)CC ZINC000041210418 350784189 /nfs/dbraw/zinc/78/41/89/350784189.db2.gz CTWPVMXNOJUBDH-UHFFFAOYSA-N 1 3 200.370 2.450 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2COC(C)(C)C2)CC1(C)C ZINC000623561958 362986002 /nfs/dbraw/zinc/98/60/02/362986002.db2.gz DAXNVZBBCLDNEG-NWDGAFQWSA-N 1 3 240.391 2.016 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2COC(C)(C)C2)CC1(C)C ZINC000623561958 362986007 /nfs/dbraw/zinc/98/60/07/362986007.db2.gz DAXNVZBBCLDNEG-NWDGAFQWSA-N 1 3 240.391 2.016 20 0 BEADHO C[N@@H+]1CC[C@@H](N[C@@H]2COC(C)(C)C2)CC1(C)C ZINC000623561957 362986056 /nfs/dbraw/zinc/98/60/56/362986056.db2.gz DAXNVZBBCLDNEG-NEPJUHHUSA-N 1 3 240.391 2.016 20 0 BEADHO C[N@H+]1CC[C@@H](N[C@@H]2COC(C)(C)C2)CC1(C)C ZINC000623561957 362986062 /nfs/dbraw/zinc/98/60/62/362986062.db2.gz DAXNVZBBCLDNEG-NEPJUHHUSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000577611606 366017424 /nfs/dbraw/zinc/01/74/24/366017424.db2.gz TWALEVYVDCCQEL-RVMXOQNASA-N 1 3 228.355 2.387 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC1CC1 ZINC000577740195 366049692 /nfs/dbraw/zinc/04/96/92/366049692.db2.gz NKPUCYADLDSTIU-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@@H](CN(C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637930614 351807179 /nfs/dbraw/zinc/80/71/79/351807179.db2.gz QGJLDQRSKIHSCS-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637930614 351807182 /nfs/dbraw/zinc/80/71/82/351807182.db2.gz QGJLDQRSKIHSCS-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CO[C@@H](CNCCC[NH+](C)C)C1CCCCC1 ZINC000638289481 352125041 /nfs/dbraw/zinc/12/50/41/352125041.db2.gz JZXWFRDZTFEWFT-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)CN1CCCC1 ZINC000638385751 352194550 /nfs/dbraw/zinc/19/45/50/352194550.db2.gz JWCDXUYCVIDJMV-GRYCIOLGSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](CN[C@@H](C)[C@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000638385751 352194551 /nfs/dbraw/zinc/19/45/51/352194551.db2.gz JWCDXUYCVIDJMV-GRYCIOLGSA-N 1 3 246.345 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638408348 352214173 /nfs/dbraw/zinc/21/41/73/352214173.db2.gz AHEYAVYEWULFAT-QJPTWQEYSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638408348 352214174 /nfs/dbraw/zinc/21/41/74/352214174.db2.gz AHEYAVYEWULFAT-QJPTWQEYSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC2(F)F)C1 ZINC000638408348 352214176 /nfs/dbraw/zinc/21/41/76/352214176.db2.gz AHEYAVYEWULFAT-QJPTWQEYSA-N 1 3 246.345 2.352 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638408449 352215066 /nfs/dbraw/zinc/21/50/66/352215066.db2.gz BBOPGDHXXBXYLV-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CNC[C@](C)(CC)OC)C1 ZINC000638408449 352215068 /nfs/dbraw/zinc/21/50/68/352215068.db2.gz BBOPGDHXXBXYLV-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@H+]1CC[C@@H](CNC[C@](C)(CC)OC)C1 ZINC000638408449 352215070 /nfs/dbraw/zinc/21/50/70/352215070.db2.gz BBOPGDHXXBXYLV-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccoc1 ZINC000564560175 363127852 /nfs/dbraw/zinc/12/78/52/363127852.db2.gz OUIPYFIPCDPAGB-NSHDSACASA-N 1 3 220.316 2.240 20 0 BEADHO CCc1cccc(F)c1CNCCCC[NH3+] ZINC000414915310 352261862 /nfs/dbraw/zinc/26/18/62/352261862.db2.gz YZOAFSDTCVBGBN-UHFFFAOYSA-N 1 3 224.323 2.217 20 0 BEADHO C[NH+](C)CCCCNCc1nc2ccccc2o1 ZINC000638451840 352262247 /nfs/dbraw/zinc/26/22/47/352262247.db2.gz RWFIGPWZWOVZSV-UHFFFAOYSA-N 1 3 247.342 2.259 20 0 BEADHO C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@@H]1CN ZINC000630074878 363158784 /nfs/dbraw/zinc/15/87/84/363158784.db2.gz BWSIEDPMSRPRGH-DOMZBBRYSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@@H]1CN ZINC000630074878 363158791 /nfs/dbraw/zinc/15/87/91/363158791.db2.gz BWSIEDPMSRPRGH-DOMZBBRYSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@@H]1CN(Cc2cccc3c2CCC3)C[C@@H]1C[NH3+] ZINC000630074878 363158796 /nfs/dbraw/zinc/15/87/96/363158796.db2.gz BWSIEDPMSRPRGH-DOMZBBRYSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918232 352272938 /nfs/dbraw/zinc/27/29/38/352272938.db2.gz TWEWCEVDACGCRO-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO CSc1ccccc1C[C@@H](C)N[C@@H](C)C[NH3+] ZINC000414947075 352370782 /nfs/dbraw/zinc/37/07/82/352370782.db2.gz UJLWBWOTTJLVKO-MNOVXSKESA-N 1 3 238.400 2.276 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000415011571 352546803 /nfs/dbraw/zinc/54/68/03/352546803.db2.gz QSYFVPQXSFYGIO-NEPJUHHUSA-N 1 3 206.333 2.129 20 0 BEADHO CC1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000086401862 538104115 /nfs/dbraw/zinc/10/41/15/538104115.db2.gz GUBGSODFOXBQMU-MVKMKZAISA-N 1 3 210.365 2.425 20 0 BEADHO [NH3+]CCCN[C@@H]1CCc2c1cccc2Cl ZINC000415087834 352567163 /nfs/dbraw/zinc/56/71/63/352567163.db2.gz VENZPMCCVQXOIH-GFCCVEGCSA-N 1 3 224.735 2.266 20 0 BEADHO COC1([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)CCC1 ZINC000412026405 191240177 /nfs/dbraw/zinc/24/01/77/191240177.db2.gz SFFFXFRNNJKUTF-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000412026405 191240179 /nfs/dbraw/zinc/24/01/79/191240179.db2.gz SFFFXFRNNJKUTF-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@@H](C)NCC[C@@H]2CCC[N@H+]2C)CCC1 ZINC000412026405 191240181 /nfs/dbraw/zinc/24/01/81/191240181.db2.gz SFFFXFRNNJKUTF-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CCO[C@H](CC[NH2+][C@H]1CCC[C@@H]1CN)C(C)C ZINC000422811898 192476195 /nfs/dbraw/zinc/47/61/95/192476195.db2.gz PUSGYKYYWDHIEF-HZSPNIEDSA-N 1 3 242.407 2.155 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638862733 353031992 /nfs/dbraw/zinc/03/19/92/353031992.db2.gz HSCWFGOFJVEEPL-QWRGUYRKSA-N 1 3 234.334 2.352 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340469491 188038439 /nfs/dbraw/zinc/03/84/39/188038439.db2.gz KEFWBJLGRACTON-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H](C)[C@]1(C)CCCO1 ZINC000340469491 188038440 /nfs/dbraw/zinc/03/84/40/188038440.db2.gz KEFWBJLGRACTON-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H](C)[C@]1(C)CCCO1 ZINC000340469491 188038442 /nfs/dbraw/zinc/03/84/42/188038442.db2.gz KEFWBJLGRACTON-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO C([NH2+]C1CCN(CC2CCC2)CC1)C1CC1 ZINC000133230427 188049638 /nfs/dbraw/zinc/04/96/38/188049638.db2.gz XHIZZAPIENMKDY-UHFFFAOYSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)CC[C@H]1N ZINC000252097548 353295964 /nfs/dbraw/zinc/29/59/64/353295964.db2.gz FSQXNGIFBWULKA-RFQIPJPRSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)CC[C@H]1N ZINC000252097548 353295966 /nfs/dbraw/zinc/29/59/66/353295966.db2.gz FSQXNGIFBWULKA-RFQIPJPRSA-N 1 3 224.392 2.482 20 0 BEADHO C([C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC1 ZINC000120101918 188247627 /nfs/dbraw/zinc/24/76/27/188247627.db2.gz KJAHEQMMGPZNKL-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO C([C@H]1CC[N@H+](C2CCCC2)C1)N1CCCC1 ZINC000120101918 188247628 /nfs/dbraw/zinc/24/76/28/188247628.db2.gz KJAHEQMMGPZNKL-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO C([C@H]1CCN(C2CCCC2)C1)[NH+]1CCCC1 ZINC000120101918 188247630 /nfs/dbraw/zinc/24/76/30/188247630.db2.gz KJAHEQMMGPZNKL-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252862406 353312237 /nfs/dbraw/zinc/31/22/37/353312237.db2.gz NZZGOCAJVWEUFJ-RFGFWPKPSA-N 1 3 245.370 2.202 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000300831787 188348787 /nfs/dbraw/zinc/34/87/87/188348787.db2.gz CCWIQMWOKXTLTP-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000300831787 188348789 /nfs/dbraw/zinc/34/87/89/188348789.db2.gz CCWIQMWOKXTLTP-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000300831787 188348791 /nfs/dbraw/zinc/34/87/91/188348791.db2.gz CCWIQMWOKXTLTP-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227057957 363226601 /nfs/dbraw/zinc/22/66/01/363226601.db2.gz SNXWKUQNDKWVLI-WDEREUQCSA-N 1 3 224.373 2.226 20 0 BEADHO N[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669590 353493272 /nfs/dbraw/zinc/49/32/72/353493272.db2.gz CJPZVXGRNMJDAK-LSDHHAIUSA-N 1 3 245.370 2.250 20 0 BEADHO CCC[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106237 353613034 /nfs/dbraw/zinc/61/30/34/353613034.db2.gz XLRLXKYMIRCJJE-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106237 353613036 /nfs/dbraw/zinc/61/30/36/353613036.db2.gz XLRLXKYMIRCJJE-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@@H](CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106237 353613040 /nfs/dbraw/zinc/61/30/40/353613040.db2.gz XLRLXKYMIRCJJE-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)[N@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000232661933 353752732 /nfs/dbraw/zinc/75/27/32/353752732.db2.gz OMQLHSAKNZTGKO-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[N@@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000232661933 353752735 /nfs/dbraw/zinc/75/27/35/353752735.db2.gz OMQLHSAKNZTGKO-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@](C)(C[N@H+](C)CCCN1CCCC1)OC ZINC000639132919 353842727 /nfs/dbraw/zinc/84/27/27/353842727.db2.gz VEWCENCYQLPKLH-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@](C)(C[N@@H+](C)CCCN1CCCC1)OC ZINC000639132919 353842730 /nfs/dbraw/zinc/84/27/30/353842730.db2.gz VEWCENCYQLPKLH-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCC(CC)C[N@H+](C)[C@H]1CCCNCC1 ZINC000231465342 363344749 /nfs/dbraw/zinc/34/47/49/363344749.db2.gz JZEIDQMRWCVKAX-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(CC)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000231465342 363344753 /nfs/dbraw/zinc/34/47/53/363344753.db2.gz JZEIDQMRWCVKAX-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC[N@H+](CC1CCC1)[C@@H]1CCCNCC1 ZINC000231671187 363347626 /nfs/dbraw/zinc/34/76/26/363347626.db2.gz QBLDSCHIDPKRGB-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC[N@@H+](CC1CCC1)[C@@H]1CCCNCC1 ZINC000231671187 363347627 /nfs/dbraw/zinc/34/76/27/363347627.db2.gz QBLDSCHIDPKRGB-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000344303876 354214227 /nfs/dbraw/zinc/21/42/27/354214227.db2.gz WOQDOQYJYXAVAG-GJZGRUSLSA-N 1 3 234.387 2.417 20 0 BEADHO CC(C)(C)CCN1CCC2(CC[NH2+]2)CC1 ZINC000334588817 354216165 /nfs/dbraw/zinc/21/61/65/354216165.db2.gz YRPCNHCTQCKPTH-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@@](C)(CC)OC ZINC000639176300 354220921 /nfs/dbraw/zinc/22/09/21/354220921.db2.gz UOSYXYNOGNSUMA-CYBMUJFWSA-N 1 3 230.396 2.075 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](N)C1 ZINC000346034022 354862510 /nfs/dbraw/zinc/86/25/10/354862510.db2.gz DQZGZHSCMXTHEQ-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](N)C1 ZINC000346034022 354862512 /nfs/dbraw/zinc/86/25/12/354862512.db2.gz DQZGZHSCMXTHEQ-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@H](C)CNC[C@H]1[NH2+]CCCC1(C)C ZINC000233997443 363413047 /nfs/dbraw/zinc/41/30/47/363413047.db2.gz UCVOYEGZLKEYEY-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]1C[C@@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000335204527 355039653 /nfs/dbraw/zinc/03/96/53/355039653.db2.gz NZPLRDGYJWCREB-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H]1C[C@@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000335204527 355039654 /nfs/dbraw/zinc/03/96/54/355039654.db2.gz NZPLRDGYJWCREB-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CC(CN1CC[C@@H](C)C1)C[N@@H+]1CC[C@@H](C)C1 ZINC000346638025 355015314 /nfs/dbraw/zinc/01/53/14/355015314.db2.gz GKFVRKBZCKOGFZ-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO CC(CN1CC[C@@H](C)C1)C[N@H+]1CC[C@@H](C)C1 ZINC000346638025 355015319 /nfs/dbraw/zinc/01/53/19/355015319.db2.gz GKFVRKBZCKOGFZ-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@H](N)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000335229452 355071480 /nfs/dbraw/zinc/07/14/80/355071480.db2.gz FGOHWTAKSAVABB-CMPLNLGQSA-N 1 3 238.762 2.477 20 0 BEADHO C[C@H](N)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000335229452 355071485 /nfs/dbraw/zinc/07/14/85/355071485.db2.gz FGOHWTAKSAVABB-CMPLNLGQSA-N 1 3 238.762 2.477 20 0 BEADHO CCC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346997597 355196119 /nfs/dbraw/zinc/19/61/19/355196119.db2.gz XMERJWBPIGIDBO-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346997597 355196122 /nfs/dbraw/zinc/19/61/22/355196122.db2.gz XMERJWBPIGIDBO-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)=CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000335992350 134040759 /nfs/dbraw/zinc/04/07/59/134040759.db2.gz QUERXQZJXJSUCN-ZDUSSCGKSA-N 1 3 210.365 2.369 20 0 BEADHO CC(C)=CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000335992350 134040760 /nfs/dbraw/zinc/04/07/60/134040760.db2.gz QUERXQZJXJSUCN-ZDUSSCGKSA-N 1 3 210.365 2.369 20 0 BEADHO CC[C@@](C)(CNCCC[N@H+](C)CC(C)C)OC ZINC000639290822 355464717 /nfs/dbraw/zinc/46/47/17/355464717.db2.gz WBBZCOCQHQHKPL-AWEZNQCLSA-N 1 3 244.423 2.369 20 0 BEADHO CC[C@@](C)(CNCCC[N@@H+](C)CC(C)C)OC ZINC000639290822 355464719 /nfs/dbraw/zinc/46/47/19/355464719.db2.gz WBBZCOCQHQHKPL-AWEZNQCLSA-N 1 3 244.423 2.369 20 0 BEADHO CC[C@@](C)(C[NH2+]CCCN(C)CC(C)C)OC ZINC000639290822 355464720 /nfs/dbraw/zinc/46/47/20/355464720.db2.gz WBBZCOCQHQHKPL-AWEZNQCLSA-N 1 3 244.423 2.369 20 0 BEADHO CC[C@](C)(CNCCC[N@H+](C)CC(C)C)OC ZINC000639290823 355465104 /nfs/dbraw/zinc/46/51/04/355465104.db2.gz WBBZCOCQHQHKPL-CQSZACIVSA-N 1 3 244.423 2.369 20 0 BEADHO CC[C@](C)(CNCCC[N@@H+](C)CC(C)C)OC ZINC000639290823 355465108 /nfs/dbraw/zinc/46/51/08/355465108.db2.gz WBBZCOCQHQHKPL-CQSZACIVSA-N 1 3 244.423 2.369 20 0 BEADHO CC[C@](C)(C[NH2+]CCCN(C)CC(C)C)OC ZINC000639290823 355465109 /nfs/dbraw/zinc/46/51/09/355465109.db2.gz WBBZCOCQHQHKPL-CQSZACIVSA-N 1 3 244.423 2.369 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000414966320 191635361 /nfs/dbraw/zinc/63/53/61/191635361.db2.gz WIEMTSDYAROIND-UMSGYPCISA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@](C)(C[NH2+]C[C@@H]1CCCCN(C)C1)OC ZINC000639345771 355792026 /nfs/dbraw/zinc/79/20/26/355792026.db2.gz ACOBQQIGVLEMGR-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(CNC[C@@H]1CCCC[N@H+](C)C1)OC ZINC000639345771 355792028 /nfs/dbraw/zinc/79/20/28/355792028.db2.gz ACOBQQIGVLEMGR-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(CNC[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639345771 355792031 /nfs/dbraw/zinc/79/20/31/355792031.db2.gz ACOBQQIGVLEMGR-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC1(N(C)C)CC[NH+](C[C@@H](C)COC)CC1 ZINC000639378558 355912621 /nfs/dbraw/zinc/91/26/21/355912621.db2.gz IHUXBOLYKKLTIB-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000582228974 355991992 /nfs/dbraw/zinc/99/19/92/355991992.db2.gz GKVSWVXCHYJPNZ-UONOGXRCSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1c1ccnc2ccccc21 ZINC000216234697 355951790 /nfs/dbraw/zinc/95/17/90/355951790.db2.gz UCJQQOSKTCHTGQ-VXGBXAGGSA-N 1 3 241.338 2.408 20 0 BEADHO Cc1nc([C@@H](C)N[C@H](C)CCC[NH3+])cs1 ZINC000422883431 192497646 /nfs/dbraw/zinc/49/76/46/192497646.db2.gz BZNHQZSFVBYZER-RKDXNWHRSA-N 1 3 227.377 2.230 20 0 BEADHO [NH3+]CCCN[C@H](c1ccccc1)C1CCC1 ZINC000420297925 192205424 /nfs/dbraw/zinc/20/54/24/192205424.db2.gz GPRLUNGIMPKXHF-CQSZACIVSA-N 1 3 218.344 2.466 20 0 BEADHO Cc1ccccc1OCCCN(C)C1CC([NH3+])C1 ZINC000420330636 192215269 /nfs/dbraw/zinc/21/52/69/192215269.db2.gz LKLBUPFOPUKSAN-UHFFFAOYSA-N 1 3 248.370 2.185 20 0 BEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000420306611 192209650 /nfs/dbraw/zinc/20/96/50/192209650.db2.gz QNBBTOONRRNWPM-JSGCOSHPSA-N 1 3 248.370 2.222 20 0 BEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000420306611 192209652 /nfs/dbraw/zinc/20/96/52/192209652.db2.gz QNBBTOONRRNWPM-JSGCOSHPSA-N 1 3 248.370 2.222 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(CCCc2ccsc2)C1 ZINC000420317254 192211989 /nfs/dbraw/zinc/21/19/89/192211989.db2.gz ZDCHSSBBTFFCLY-YPMHNXCESA-N 1 3 238.400 2.350 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(CCCc2ccsc2)C1 ZINC000420317250 192212643 /nfs/dbraw/zinc/21/26/43/192212643.db2.gz ZDCHSSBBTFFCLY-AAEUAGOBSA-N 1 3 238.400 2.350 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000420372130 192229021 /nfs/dbraw/zinc/22/90/21/192229021.db2.gz LCYIHQYKIQHGBT-IUCAKERBSA-N 1 3 212.724 2.338 20 0 BEADHO Cc1cc([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)on1 ZINC000420326821 192229970 /nfs/dbraw/zinc/22/99/70/192229970.db2.gz XVHBZAZAYFFEOZ-OLZOCXBDSA-N 1 3 249.358 2.120 20 0 BEADHO C[NH2+]CCCN(C)CCCc1ccccc1C ZINC000420391364 192236030 /nfs/dbraw/zinc/23/60/30/192236030.db2.gz SEAMBKGUIIORJD-UHFFFAOYSA-N 1 3 234.387 2.469 20 0 BEADHO CNCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000420395539 192236635 /nfs/dbraw/zinc/23/66/35/192236635.db2.gz DMSQANOYWNOLPB-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO CCSCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420396045 192237475 /nfs/dbraw/zinc/23/74/75/192237475.db2.gz LMJMOSBNDFBCIT-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000420399469 192238704 /nfs/dbraw/zinc/23/87/04/192238704.db2.gz HYRUSEONKDVQMR-OLZOCXBDSA-N 1 3 233.359 2.122 20 0 BEADHO Cc1cccc([C@@H](C)NCCC[NH3+])c1C ZINC000420419141 192240570 /nfs/dbraw/zinc/24/05/70/192240570.db2.gz XGDFJHVXJTXPKE-GFCCVEGCSA-N 1 3 206.333 2.303 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000420381003 192233726 /nfs/dbraw/zinc/23/37/26/192233726.db2.gz XFFGTOQRUBJVPC-IUCAKERBSA-N 1 3 244.285 2.286 20 0 BEADHO Cc1cccc(CCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000336215908 134136567 /nfs/dbraw/zinc/13/65/67/134136567.db2.gz PZAFYYYOHNRRJF-IYBDPMFKSA-N 1 3 244.382 2.031 20 0 BEADHO Cc1cccc(CCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000336215908 134136568 /nfs/dbraw/zinc/13/65/68/134136568.db2.gz PZAFYYYOHNRRJF-IYBDPMFKSA-N 1 3 244.382 2.031 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000422976015 192533023 /nfs/dbraw/zinc/53/30/23/192533023.db2.gz CRWOEWDARUYNML-RYUDHWBXSA-N 1 3 232.371 2.117 20 0 BEADHO CCc1cc(N2CCC(C[NH+](C)C)CC2)ccn1 ZINC000450261240 202112123 /nfs/dbraw/zinc/11/21/23/202112123.db2.gz MUNWWDQNFCBJEZ-UHFFFAOYSA-N 1 3 247.386 2.422 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1(C)CC1 ZINC000423087947 192563886 /nfs/dbraw/zinc/56/38/86/192563886.db2.gz QPSYKTLJDLLBHB-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423121176 192575904 /nfs/dbraw/zinc/57/59/04/192575904.db2.gz IDEHMAXNKITTJC-STQMWFEESA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130159354 325019736 /nfs/dbraw/zinc/01/97/36/325019736.db2.gz YZWZUEDYMBGUHJ-RWMBFGLXSA-N 1 3 210.365 2.247 20 0 BEADHO C[NH+](C)C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000450408145 202155944 /nfs/dbraw/zinc/15/59/44/202155944.db2.gz VFBVJJBRAKYHHP-VXGBXAGGSA-N 1 3 246.345 2.305 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779060 356725847 /nfs/dbraw/zinc/72/58/47/356725847.db2.gz WYRWRDBXFUZIOY-ZIAGYGMSSA-N 1 3 248.374 2.031 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779060 356725848 /nfs/dbraw/zinc/72/58/48/356725848.db2.gz WYRWRDBXFUZIOY-ZIAGYGMSSA-N 1 3 248.374 2.031 20 0 BEADHO C[N@@H+]1CC[C@@H](NCCOC(C)(C)C)CC1(C)C ZINC000623385379 356910484 /nfs/dbraw/zinc/91/04/84/356910484.db2.gz HVORWHQQQQXMKB-GFCCVEGCSA-N 1 3 242.407 2.264 20 0 BEADHO C[N@H+]1CC[C@@H](NCCOC(C)(C)C)CC1(C)C ZINC000623385379 356910488 /nfs/dbraw/zinc/91/04/88/356910488.db2.gz HVORWHQQQQXMKB-GFCCVEGCSA-N 1 3 242.407 2.264 20 0 BEADHO CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000257697699 538747036 /nfs/dbraw/zinc/74/70/36/538747036.db2.gz WTKRACINYKJLPB-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H](C[NH2+][C@@H](C)C1CNC1)CC(F)(F)F ZINC000423185559 192615706 /nfs/dbraw/zinc/61/57/06/192615706.db2.gz NYNWPLNYDRYOKM-DTWKUNHWSA-N 1 3 238.297 2.163 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000261554482 535351653 /nfs/dbraw/zinc/35/16/53/535351653.db2.gz UGIBISMUQVEHSQ-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000261554482 535351656 /nfs/dbraw/zinc/35/16/56/535351656.db2.gz UGIBISMUQVEHSQ-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261554482 535351660 /nfs/dbraw/zinc/35/16/60/535351660.db2.gz UGIBISMUQVEHSQ-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423194867 192621234 /nfs/dbraw/zinc/62/12/34/192621234.db2.gz RYPLXRBIBGKWJF-OCCSQVGLSA-N 1 3 233.359 2.046 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000261554483 535351068 /nfs/dbraw/zinc/35/10/68/535351068.db2.gz UGIBISMUQVEHSQ-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000261554483 535351072 /nfs/dbraw/zinc/35/10/72/535351072.db2.gz UGIBISMUQVEHSQ-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261554483 535351073 /nfs/dbraw/zinc/35/10/73/535351073.db2.gz UGIBISMUQVEHSQ-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCCCNC2)C1 ZINC000257786747 538766774 /nfs/dbraw/zinc/76/67/74/538766774.db2.gz MJNAFIYCSVUAGF-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423227036 192638021 /nfs/dbraw/zinc/63/80/21/192638021.db2.gz UAPHKEQGWBLEJT-BFVZDQMLSA-N 1 3 236.334 2.386 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000390872668 357119156 /nfs/dbraw/zinc/11/91/56/357119156.db2.gz POUWKOKRRMDEJJ-MXWKQRLJSA-N 1 3 232.318 2.281 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCC2(F)F)C1 ZINC000390872668 357119158 /nfs/dbraw/zinc/11/91/58/357119158.db2.gz POUWKOKRRMDEJJ-MXWKQRLJSA-N 1 3 232.318 2.281 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423265328 192658802 /nfs/dbraw/zinc/65/88/02/192658802.db2.gz CVJWDZBBWOGGON-CABCVRRESA-N 1 3 247.386 2.496 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423275936 192668228 /nfs/dbraw/zinc/66/82/28/192668228.db2.gz MJFSUVQLOXKFAH-YNEHKIRRSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425917 357254141 /nfs/dbraw/zinc/25/41/41/357254141.db2.gz ZCZQTAQWMOVJPQ-JHJVBQTASA-N 1 3 242.432 2.059 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000423280279 192673666 /nfs/dbraw/zinc/67/36/66/192673666.db2.gz UISHVJHHUHJQTF-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cc(C[NH2+][C@H](C)[C@@H](C)N)c(C)s1 ZINC000582952024 357444417 /nfs/dbraw/zinc/44/44/17/357444417.db2.gz BPWDKRUKRKFMDT-RKDXNWHRSA-N 1 3 212.362 2.190 20 0 BEADHO Cc1cnccc1CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397487376 357515805 /nfs/dbraw/zinc/51/58/05/357515805.db2.gz WHIJTFVAPMHXQS-WHOFXGATSA-N 1 3 247.386 2.195 20 0 BEADHO COC1CC(NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000230675763 357549502 /nfs/dbraw/zinc/54/95/02/357549502.db2.gz GBNLTEYASLLFTK-UHFFFAOYSA-N 1 3 240.391 2.016 20 0 BEADHO CN(C)CCOCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000231676043 357618695 /nfs/dbraw/zinc/61/86/95/357618695.db2.gz DBDSYGHMNJSRJZ-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@H]([NH2+]CCCN(CC)CC)[C@@H]1CCCO1 ZINC000191611547 357778594 /nfs/dbraw/zinc/77/85/94/357778594.db2.gz DYIQLGIZOCPFHD-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](NCCC[NH+](CC)CC)[C@@H]1CCCO1 ZINC000191611547 357778595 /nfs/dbraw/zinc/77/85/95/357778595.db2.gz DYIQLGIZOCPFHD-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@@]1(C[NH3+])CCN(CCCOc2ccccc2)C1 ZINC000235438454 357868997 /nfs/dbraw/zinc/86/89/97/357868997.db2.gz OOTMFISGQXQRMT-HNNXBMFYSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CCCOc2ccccc2)C1 ZINC000235438454 357869005 /nfs/dbraw/zinc/86/90/05/357869005.db2.gz OOTMFISGQXQRMT-HNNXBMFYSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CCCOc2ccccc2)C1 ZINC000235438454 357869008 /nfs/dbraw/zinc/86/90/08/357869008.db2.gz OOTMFISGQXQRMT-HNNXBMFYSA-N 1 3 248.370 2.126 20 0 BEADHO CC(C)=CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261561819 535371055 /nfs/dbraw/zinc/37/10/55/535371055.db2.gz AWPLBJJNGHPMOS-BFHYXJOUSA-N 1 3 222.376 2.463 20 0 BEADHO Cc1cc(C[NH2+]C[C@H](N)C(C)C)c(C)s1 ZINC000584517277 358028672 /nfs/dbraw/zinc/02/86/72/358028672.db2.gz JZPAXECYTJOEAF-LBPRGKRZSA-N 1 3 226.389 2.438 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000169240638 134249824 /nfs/dbraw/zinc/24/98/24/134249824.db2.gz QRRFUAMNLPDOMP-ZJNJWXDTSA-N 1 3 202.301 2.129 20 0 BEADHO c1ccc2c(c1)CC[NH+](C[C@H]1CCCNC1)CC2 ZINC000079572132 358106744 /nfs/dbraw/zinc/10/67/44/358106744.db2.gz KOQFORUGCHSTJU-AWEZNQCLSA-N 1 3 244.382 2.087 20 0 BEADHO c1ccc2c(c1)CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000079572132 358106746 /nfs/dbraw/zinc/10/67/46/358106746.db2.gz KOQFORUGCHSTJU-AWEZNQCLSA-N 1 3 244.382 2.087 20 0 BEADHO CC(C)C[C@@H](N)C[NH+]1CCc2ccccc2CC1 ZINC000079574277 358107426 /nfs/dbraw/zinc/10/74/26/358107426.db2.gz AKCKUIDBIWHJGJ-MRXNPFEDSA-N 1 3 246.398 2.461 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000583882363 358117185 /nfs/dbraw/zinc/11/71/85/358117185.db2.gz DLJQDDXYFLUMFU-FDYHWXHSSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583882363 358117187 /nfs/dbraw/zinc/11/71/87/358117187.db2.gz DLJQDDXYFLUMFU-FDYHWXHSSA-N 1 3 210.365 2.281 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000086402323 491123863 /nfs/dbraw/zinc/12/38/63/491123863.db2.gz HBOSQUMJIVJVSP-RYUDHWBXSA-N 1 3 208.349 2.035 20 0 BEADHO CCc1ccc(C[NH2+]C[C@@H](N)CC)s1 ZINC000225379804 358240448 /nfs/dbraw/zinc/24/04/48/358240448.db2.gz JNZVUXBWECYAKE-VIFPVBQESA-N 1 3 212.362 2.137 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000226878749 358346722 /nfs/dbraw/zinc/34/67/22/358346722.db2.gz PRFUTTUEDNVVQT-TZMCWYRMSA-N 1 3 218.344 2.307 20 0 BEADHO [NH3+]CCC1CCN(Cc2cccc(F)c2)CC1 ZINC000042427597 358348833 /nfs/dbraw/zinc/34/88/33/358348833.db2.gz UIJOXNFKGJZHAF-UHFFFAOYSA-N 1 3 236.334 2.387 20 0 BEADHO CC(C)[N@H+](CC1CC1)C[C@H]1CCCNC1 ZINC000042593610 358353118 /nfs/dbraw/zinc/35/31/18/358353118.db2.gz SUEKWZJFSZJLIO-ZDUSSCGKSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[N@@H+](CC1CC1)C[C@H]1CCCNC1 ZINC000042593610 358353122 /nfs/dbraw/zinc/35/31/22/358353122.db2.gz SUEKWZJFSZJLIO-ZDUSSCGKSA-N 1 3 210.365 2.106 20 0 BEADHO COc1ccccc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000230285259 358396952 /nfs/dbraw/zinc/39/69/52/358396952.db2.gz BCBHWHHXBKJTFL-KGLIPLIRSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccccc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000230285259 358396954 /nfs/dbraw/zinc/39/69/54/358396954.db2.gz BCBHWHHXBKJTFL-KGLIPLIRSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccccc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000230285266 358397030 /nfs/dbraw/zinc/39/70/30/358397030.db2.gz BCBHWHHXBKJTFL-KBPBESRZSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccccc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000230285266 358397035 /nfs/dbraw/zinc/39/70/35/358397035.db2.gz BCBHWHHXBKJTFL-KBPBESRZSA-N 1 3 248.370 2.097 20 0 BEADHO CCCCOCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000229340562 358402209 /nfs/dbraw/zinc/40/22/09/358402209.db2.gz PNUZTXRHIOIFCZ-CHWSQXEVSA-N 1 3 228.380 2.053 20 0 BEADHO CC(C)C[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000048463112 358635920 /nfs/dbraw/zinc/63/59/20/358635920.db2.gz YBSWEVJPDIBTLX-UHFFFAOYSA-N 1 3 220.360 2.494 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc(OC(F)F)cc1 ZINC000131243117 358666690 /nfs/dbraw/zinc/66/66/90/358666690.db2.gz XXBJAKDOOOFXBK-SECBINFHSA-N 1 3 244.285 2.115 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCc1ccccc1 ZINC000131486805 358678513 /nfs/dbraw/zinc/67/85/13/358678513.db2.gz AOEROUQKYHJYKH-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCc1ccccc1 ZINC000131486805 358678514 /nfs/dbraw/zinc/67/85/14/358678514.db2.gz AOEROUQKYHJYKH-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO CCCC[C@@H](COC)NCC(C)(C)C[NH+](C)C ZINC000132149401 358708536 /nfs/dbraw/zinc/70/85/36/358708536.db2.gz YKOBSCAXKBTULU-ZDUSSCGKSA-N 1 3 244.423 2.369 20 0 BEADHO CC[C@H](O)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000135034513 358816964 /nfs/dbraw/zinc/81/69/64/358816964.db2.gz JNZOXZPTWHZEHK-IHRRRGAJSA-N 1 3 242.407 2.048 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000219836941 134292104 /nfs/dbraw/zinc/29/21/04/134292104.db2.gz BHYVJULQJQUVOV-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000219836450 134292110 /nfs/dbraw/zinc/29/21/10/134292110.db2.gz RYRFEPQYAFWMQG-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccsc2)C1 ZINC000086403614 358968606 /nfs/dbraw/zinc/96/86/06/358968606.db2.gz LDWGYNNUBMCVPM-NWDGAFQWSA-N 1 3 224.373 2.150 20 0 BEADHO Cc1c[nH+]ccc1NCCN1CCCCC1 ZINC000070047268 359040269 /nfs/dbraw/zinc/04/02/69/359040269.db2.gz ZHGZNNQRJVCLFE-UHFFFAOYSA-N 1 3 219.332 2.288 20 0 BEADHO COC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C(C)C ZINC000246919309 359174386 /nfs/dbraw/zinc/17/43/86/359174386.db2.gz GAFVXZXCPXCIJJ-MCIONIFRSA-N 1 3 242.407 2.120 20 0 BEADHO COC[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000246919309 359174394 /nfs/dbraw/zinc/17/43/94/359174394.db2.gz GAFVXZXCPXCIJJ-MCIONIFRSA-N 1 3 242.407 2.120 20 0 BEADHO CCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002748 359264215 /nfs/dbraw/zinc/26/42/15/359264215.db2.gz CMHKRCKRTWIVDU-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000076002748 359264221 /nfs/dbraw/zinc/26/42/21/359264221.db2.gz CMHKRCKRTWIVDU-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000076002748 359264227 /nfs/dbraw/zinc/26/42/27/359264227.db2.gz CMHKRCKRTWIVDU-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CO[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623436967 359329985 /nfs/dbraw/zinc/32/99/85/359329985.db2.gz LSXRXXOVEQABHH-STQMWFEESA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436967 359329990 /nfs/dbraw/zinc/32/99/90/359329990.db2.gz LSXRXXOVEQABHH-STQMWFEESA-N 1 3 242.407 2.120 20 0 BEADHO COCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC1 ZINC000580451112 359558329 /nfs/dbraw/zinc/55/83/29/359558329.db2.gz YSFAMHVRGQZDLP-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000379586395 359561123 /nfs/dbraw/zinc/56/11/23/359561123.db2.gz JMEUAZXHBHJUEH-CHWSQXEVSA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCC1=CCCCC1 ZINC000379586395 359561128 /nfs/dbraw/zinc/56/11/28/359561128.db2.gz JMEUAZXHBHJUEH-CHWSQXEVSA-N 1 3 208.349 2.204 20 0 BEADHO C[C@H]1CSCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000249034016 359616290 /nfs/dbraw/zinc/61/62/90/359616290.db2.gz MHJLRLZVPMOKKX-CHWSQXEVSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H]1CSCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000249034016 359616291 /nfs/dbraw/zinc/61/62/91/359616291.db2.gz MHJLRLZVPMOKKX-CHWSQXEVSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000578518761 366588362 /nfs/dbraw/zinc/58/83/62/366588362.db2.gz GTZOCALULGPTQT-UPJWGTAASA-N 1 3 236.359 2.331 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000578518761 366588366 /nfs/dbraw/zinc/58/83/66/366588366.db2.gz GTZOCALULGPTQT-UPJWGTAASA-N 1 3 236.359 2.331 20 0 BEADHO CSCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000169241792 359877971 /nfs/dbraw/zinc/87/79/71/359877971.db2.gz NORLPCYEWBZECI-NEPJUHHUSA-N 1 3 222.357 2.084 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+]C[C@H]1CCCNC1 ZINC000087646537 359922496 /nfs/dbraw/zinc/92/24/96/359922496.db2.gz POLMTHHCHVPMGL-NEPJUHHUSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](Cc1cccs1)NC[C@H]1CCC[NH2+]C1 ZINC000087646537 359922502 /nfs/dbraw/zinc/92/25/02/359922502.db2.gz POLMTHHCHVPMGL-NEPJUHHUSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cscn1 ZINC000578757540 366640533 /nfs/dbraw/zinc/64/05/33/366640533.db2.gz PEKPZAZECRQVRP-SNVBAGLBSA-N 1 3 237.372 2.104 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)C1 ZINC000578787450 366650443 /nfs/dbraw/zinc/65/04/43/366650443.db2.gz PEOVDXUUAZIOMO-QCNOEVLYSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000578878477 366664298 /nfs/dbraw/zinc/66/42/98/366664298.db2.gz UWRFQHHHEZIXIY-AVGNSLFASA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000089145912 359992958 /nfs/dbraw/zinc/99/29/58/359992958.db2.gz RUVDUBCSPLZJKU-UONOGXRCSA-N 1 3 242.407 2.156 20 0 BEADHO CC(C)CCOCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089145912 359992961 /nfs/dbraw/zinc/99/29/61/359992961.db2.gz RUVDUBCSPLZJKU-UONOGXRCSA-N 1 3 242.407 2.156 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000089150541 359994329 /nfs/dbraw/zinc/99/43/29/359994329.db2.gz JERVFUSNRQGWOZ-UKRRQHHQSA-N 1 3 248.370 2.173 20 0 BEADHO C[C@H](Cc1ccsc1)NCC1([NH3+])CCC1 ZINC000578976483 366684181 /nfs/dbraw/zinc/68/41/81/366684181.db2.gz OWZHSMDCAKWTNS-SNVBAGLBSA-N 1 3 224.373 2.150 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156073860 360946478 /nfs/dbraw/zinc/94/64/78/360946478.db2.gz JDGVJWITKWXVMH-UTUOFQBUSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156073860 360946483 /nfs/dbraw/zinc/94/64/83/360946483.db2.gz JDGVJWITKWXVMH-UTUOFQBUSA-N 1 3 208.349 2.001 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000155845201 360927299 /nfs/dbraw/zinc/92/72/99/360927299.db2.gz XBZMINNYVZZJGS-CHWSQXEVSA-N 1 3 208.349 2.003 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000629390213 361037670 /nfs/dbraw/zinc/03/76/70/361037670.db2.gz ANRDGSIDMLDRBB-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629407926 361056708 /nfs/dbraw/zinc/05/67/08/361056708.db2.gz NESMMTZNWRKVQZ-LOWDOPEQSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629407930 361056812 /nfs/dbraw/zinc/05/68/12/361056812.db2.gz NESMMTZNWRKVQZ-UMSGYPCISA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000629406193 361054279 /nfs/dbraw/zinc/05/42/79/361054279.db2.gz JYBWYRSPHTXCHH-OBPIAQAESA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408241 361057775 /nfs/dbraw/zinc/05/77/75/361057775.db2.gz SEPOJASQUDNKKP-GMXVVIOVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000629408686 361059767 /nfs/dbraw/zinc/05/97/67/361059767.db2.gz YQAPAEYPJJESOA-WUHRBBMRSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCC(F)(F)F)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629418401 361063372 /nfs/dbraw/zinc/06/33/72/361063372.db2.gz XTXSZKVBKTVICO-KXUCPTDWSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000629521175 361117790 /nfs/dbraw/zinc/11/77/90/361117790.db2.gz RXKMVFQZIWZOOM-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCC1 ZINC000629521175 361117792 /nfs/dbraw/zinc/11/77/92/361117792.db2.gz RXKMVFQZIWZOOM-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO CCO[C@@H](CN(C)CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000629512950 361107183 /nfs/dbraw/zinc/10/71/83/361107183.db2.gz JQKOFCYDGHHODR-KGLIPLIRSA-N 1 3 242.407 2.107 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@@H]1C[C@@H]1C ZINC000629528118 361132170 /nfs/dbraw/zinc/13/21/70/361132170.db2.gz PNFYEGIHXFBEBI-FPYNETTCSA-N 1 3 210.365 2.151 20 0 BEADHO C[NH2+]CCOCCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000629530530 361144350 /nfs/dbraw/zinc/14/43/50/361144350.db2.gz JEHMYWIIVYZJLI-SWLSCSKDSA-N 1 3 248.370 2.061 20 0 BEADHO CCC[N@H+](CCSCC)C1CCNCC1 ZINC000158597451 361205507 /nfs/dbraw/zinc/20/55/07/361205507.db2.gz FFXDXWUVCOEPJR-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO CCC[N@@H+](CCSCC)C1CCNCC1 ZINC000158597451 361205509 /nfs/dbraw/zinc/20/55/09/361205509.db2.gz FFXDXWUVCOEPJR-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO CCCN(CCSCC)C1CC[NH2+]CC1 ZINC000158597451 361205511 /nfs/dbraw/zinc/20/55/11/361205511.db2.gz FFXDXWUVCOEPJR-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(CO)c1 ZINC000424369868 200923989 /nfs/dbraw/zinc/92/39/89/200923989.db2.gz CPRYXGXGLHWLKM-NILFDRSVSA-N 1 3 248.370 2.099 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000579108403 366711534 /nfs/dbraw/zinc/71/15/34/366711534.db2.gz BLCANSFFENTYCF-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000579108403 366711535 /nfs/dbraw/zinc/71/15/35/366711535.db2.gz BLCANSFFENTYCF-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000579108402 366712290 /nfs/dbraw/zinc/71/22/90/366712290.db2.gz BLCANSFFENTYCF-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000579108402 366712296 /nfs/dbraw/zinc/71/22/96/366712296.db2.gz BLCANSFFENTYCF-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](NCC[C@@H]1CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000622043664 370675394 /nfs/dbraw/zinc/67/53/94/370675394.db2.gz HFLQJAMDQSNUNR-MXWKQRLJSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H](NCC[C@H]1CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000622043661 370675864 /nfs/dbraw/zinc/67/58/64/370675864.db2.gz HFLQJAMDQSNUNR-GARJFASQSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000622044891 370678254 /nfs/dbraw/zinc/67/82/54/370678254.db2.gz WTIMKZCMXNSPNO-SWLSCSKDSA-N 1 3 232.371 2.261 20 0 BEADHO CC(C)CO[C@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000622045191 370678904 /nfs/dbraw/zinc/67/89/04/370678904.db2.gz GCNUALCOZHTVAF-AVGNSLFASA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)CO[C@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000622045191 370678909 /nfs/dbraw/zinc/67/89/09/370678909.db2.gz GCNUALCOZHTVAF-AVGNSLFASA-N 1 3 242.407 2.153 20 0 BEADHO COCC(C)(C)N(C)CCC[NH+]1CCCCC1 ZINC000429271844 201086458 /nfs/dbraw/zinc/08/64/58/201086458.db2.gz LVTZIKRFMFMCKU-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629539155 361404656 /nfs/dbraw/zinc/40/46/56/361404656.db2.gz QVUYOWHLRHKYAU-NIFZNCRKSA-N 1 3 236.403 2.400 20 0 BEADHO C[C@H]1C[C@H](NCCOCCC[NH3+])c2ccccc21 ZINC000629535359 361410258 /nfs/dbraw/zinc/41/02/58/361410258.db2.gz BZTOIDBNKDDIAQ-WFASDCNBSA-N 1 3 248.370 2.190 20 0 BEADHO Cc1cc([C@@H](C)NCCOCCC[NH3+])cs1 ZINC000629535851 361411553 /nfs/dbraw/zinc/41/15/53/361411553.db2.gz DIJFGDACHCFXGS-LLVKDONJSA-N 1 3 242.388 2.073 20 0 BEADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429581590 201117658 /nfs/dbraw/zinc/11/76/58/201117658.db2.gz USDHWQPKHDGZCK-OUJBWJOFSA-N 1 3 249.358 2.018 20 0 BEADHO CC(C)C[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429578286 201118209 /nfs/dbraw/zinc/11/82/09/201118209.db2.gz SGGWSVGFBJVDFK-MFKMUULPSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629545688 361427109 /nfs/dbraw/zinc/42/71/09/361427109.db2.gz QAZFMBQVELFISU-YFKTTZPYSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](NC[C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000629554275 361440084 /nfs/dbraw/zinc/44/00/84/361440084.db2.gz HGYIPMFUXMZEAZ-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000629554275 361440086 /nfs/dbraw/zinc/44/00/86/361440086.db2.gz HGYIPMFUXMZEAZ-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO CCCCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584207 361469744 /nfs/dbraw/zinc/46/97/44/361469744.db2.gz RJLVFQMDCDORFN-BETUJISGSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)C[C@@H]([NH3+])CNC[C@@H](C)c1ccncc1 ZINC000629656144 361561322 /nfs/dbraw/zinc/56/13/22/361561322.db2.gz OBCYOXTVMCFQCZ-TZMCWYRMSA-N 1 3 235.375 2.148 20 0 BEADHO CC(C)C[C@H](C)CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629660064 361564405 /nfs/dbraw/zinc/56/44/05/361564405.db2.gz NDLPBLUVMMBSCS-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO CCN(CCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435623516 201280118 /nfs/dbraw/zinc/28/01/18/201280118.db2.gz HDVGWZZUXPPQOU-HNNXBMFYSA-N 1 3 247.386 2.088 20 0 BEADHO CC[N@H+](CCc1cccnc1)[C@H]1CCCNCC1 ZINC000435623516 201280121 /nfs/dbraw/zinc/28/01/21/201280121.db2.gz HDVGWZZUXPPQOU-HNNXBMFYSA-N 1 3 247.386 2.088 20 0 BEADHO CC[N@@H+](CCc1cccnc1)[C@H]1CCCNCC1 ZINC000435623516 201280123 /nfs/dbraw/zinc/28/01/23/201280123.db2.gz HDVGWZZUXPPQOU-HNNXBMFYSA-N 1 3 247.386 2.088 20 0 BEADHO C[NH2+]CCCN1CC[C@@H](c2ccccc2C)C1 ZINC000435875488 201291912 /nfs/dbraw/zinc/29/19/12/201291912.db2.gz DBQRCQSKZJDGQY-CQSZACIVSA-N 1 3 232.371 2.394 20 0 BEADHO CNCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000435875488 201291915 /nfs/dbraw/zinc/29/19/15/201291915.db2.gz DBQRCQSKZJDGQY-CQSZACIVSA-N 1 3 232.371 2.394 20 0 BEADHO CNCCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000435875488 201291917 /nfs/dbraw/zinc/29/19/17/201291917.db2.gz DBQRCQSKZJDGQY-CQSZACIVSA-N 1 3 232.371 2.394 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H]1Cc1ccccc1 ZINC000435871039 201289871 /nfs/dbraw/zinc/28/98/71/201289871.db2.gz ISWQWQGWRUKNOI-OAHLLOKOSA-N 1 3 232.371 2.303 20 0 BEADHO C[NH2+]CCCN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000435879356 201293570 /nfs/dbraw/zinc/29/35/70/201293570.db2.gz JPFYYYCEZVFKEA-DZGCQCFKSA-N 1 3 232.371 2.474 20 0 BEADHO [NH3+]C1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000020521554 181344611 /nfs/dbraw/zinc/34/46/11/181344611.db2.gz DWAXSSDWUGOQTM-OAHLLOKOSA-N 1 3 230.355 2.487 20 0 BEADHO C[C@H](CCc1cccc(F)c1)[NH2+]CCCN ZINC000437776280 201372874 /nfs/dbraw/zinc/37/28/74/201372874.db2.gz QRZVAADXCGZDQR-LLVKDONJSA-N 1 3 224.323 2.085 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000437793046 201373457 /nfs/dbraw/zinc/37/34/57/201373457.db2.gz MSIDOQKCNOZYRK-ZIAGYGMSSA-N 1 3 236.334 2.400 20 0 BEADHO C[C@H]1CC[C@H](NCC2CCCCC2)C[NH2+]1 ZINC000398974248 364401620 /nfs/dbraw/zinc/40/16/20/364401620.db2.gz XYGXMIBDNGFSIH-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CC[C@@H](NCC2CCCCC2)C[NH2+]1 ZINC000398974252 364401670 /nfs/dbraw/zinc/40/16/70/364401670.db2.gz XYGXMIBDNGFSIH-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+]CCC1CCN(Cc2ccsc2)CC1 ZINC000042427726 181371852 /nfs/dbraw/zinc/37/18/52/181371852.db2.gz ABQISQQWJKSTRX-UHFFFAOYSA-N 1 3 224.373 2.309 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000446788795 541391275 /nfs/dbraw/zinc/39/12/75/541391275.db2.gz ZIIAFQBUEKTEAG-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446788795 541391278 /nfs/dbraw/zinc/39/12/78/541391278.db2.gz ZIIAFQBUEKTEAG-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446788795 541391282 /nfs/dbraw/zinc/39/12/82/541391282.db2.gz ZIIAFQBUEKTEAG-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(F)c(F)c1 ZINC000573711447 364898197 /nfs/dbraw/zinc/89/81/97/364898197.db2.gz TVWKJGYTLMDADS-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000573711447 364898202 /nfs/dbraw/zinc/89/82/02/364898202.db2.gz TVWKJGYTLMDADS-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000574191058 365006898 /nfs/dbraw/zinc/00/68/98/365006898.db2.gz ALMNGMSDWKCLKF-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCC2(C(F)(F)F)CC2)C1 ZINC000574415532 365059138 /nfs/dbraw/zinc/05/91/38/365059138.db2.gz YVGBSNZZCVZJCZ-RKDXNWHRSA-N 1 3 236.281 2.188 20 0 BEADHO CCCOc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000574782109 365143359 /nfs/dbraw/zinc/14/33/59/365143359.db2.gz LSXFIHVYQQLFJU-GFCCVEGCSA-N 1 3 236.359 2.302 20 0 BEADHO C[C@H]([NH3+])c1ccc(CNCC2(F)CC2)cc1 ZINC000575715623 365342870 /nfs/dbraw/zinc/34/28/70/365342870.db2.gz NIQFVPXPTDLFMT-JTQLQIEISA-N 1 3 222.307 2.298 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)[C@H]1CC2CCC1CC2 ZINC000575873234 365399191 /nfs/dbraw/zinc/39/91/91/365399191.db2.gz LNWMWSUZRCVKMN-ISNCYHOVSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000575989227 365436913 /nfs/dbraw/zinc/43/69/13/365436913.db2.gz XILGATKOSNNGGP-XQHKEYJVSA-N 1 3 228.355 2.245 20 0 BEADHO CC[NH2+]CCCN[C@@H](C)Cc1ccccc1F ZINC000579701383 366982901 /nfs/dbraw/zinc/98/29/01/366982901.db2.gz VKCVONNJZAJMIE-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO COCC[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000184509176 367081262 /nfs/dbraw/zinc/08/12/62/367081262.db2.gz RXKYJFXLVJEERP-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H](C)C(C)(C)CC ZINC000581304713 367333839 /nfs/dbraw/zinc/33/38/39/367333839.db2.gz CJZLLZJOGUBTQI-GHMZBOCLSA-N 1 3 200.370 2.399 20 0 BEADHO Cc1csc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000382080724 367484703 /nfs/dbraw/zinc/48/47/03/367484703.db2.gz IFOZBXQRNJDMGO-QWRGUYRKSA-N 1 3 224.373 2.416 20 0 BEADHO CC[C@@H](NC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000382792369 367557410 /nfs/dbraw/zinc/55/74/10/367557410.db2.gz QCLBXFIHWKPFNT-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CCCN1)C1CCCC1 ZINC000382792369 367557414 /nfs/dbraw/zinc/55/74/14/367557414.db2.gz QCLBXFIHWKPFNT-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CCc1ccco1)NCC[C@H]1CCC[NH2+]1 ZINC000581601942 367626085 /nfs/dbraw/zinc/62/60/85/367626085.db2.gz CBZARWSYEXKWEP-QWHCGFSZSA-N 1 3 236.359 2.332 20 0 BEADHO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCNC ZINC000581612323 367634826 /nfs/dbraw/zinc/63/48/26/367634826.db2.gz LVGZUFLGDTUUPD-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCCNC ZINC000581612323 367634832 /nfs/dbraw/zinc/63/48/32/367634832.db2.gz LVGZUFLGDTUUPD-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000384512706 367694928 /nfs/dbraw/zinc/69/49/28/367694928.db2.gz HOXLCTAGFRESIV-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)[C@@H](C)O1 ZINC000385004771 367770752 /nfs/dbraw/zinc/77/07/52/367770752.db2.gz WEJBSAMKUBYYPR-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CC/C=C\CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000384866944 367745727 /nfs/dbraw/zinc/74/57/27/367745727.db2.gz NZEHXOUCVMZTQD-LECYDYFVSA-N 1 3 210.365 2.271 20 0 BEADHO CC/C=C\CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000384866944 367745733 /nfs/dbraw/zinc/74/57/33/367745733.db2.gz NZEHXOUCVMZTQD-LECYDYFVSA-N 1 3 210.365 2.271 20 0 BEADHO C[C@H](CCCO)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000384661495 367713363 /nfs/dbraw/zinc/71/33/63/367713363.db2.gz BHHYIPFWWQTSEQ-BYCMXARLSA-N 1 3 248.370 2.129 20 0 BEADHO CCC1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386113045 367914438 /nfs/dbraw/zinc/91/44/38/367914438.db2.gz LTAIJKUQQOUCKI-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226559 326018551 /nfs/dbraw/zinc/01/85/51/326018551.db2.gz ZBEDVDNWUYPQLE-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226559 326018552 /nfs/dbraw/zinc/01/85/52/326018552.db2.gz ZBEDVDNWUYPQLE-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](NCC1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000386567245 367993453 /nfs/dbraw/zinc/99/34/53/367993453.db2.gz KNPUPANPQBIODX-YPMHNXCESA-N 1 3 242.432 2.250 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252876463 368165713 /nfs/dbraw/zinc/16/57/13/368165713.db2.gz WHDYLHJCEVOLHK-BTTYYORXSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1cc(C)c(CN(C)CCC[NH3+])cc1C ZINC000084493739 368857029 /nfs/dbraw/zinc/85/70/29/368857029.db2.gz ACPNKOKIXFXYBU-UHFFFAOYSA-N 1 3 220.360 2.392 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000084223067 368851207 /nfs/dbraw/zinc/85/12/07/368851207.db2.gz PXJDILBAPPDSFW-TZMCWYRMSA-N 1 3 222.376 2.140 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657778 368998879 /nfs/dbraw/zinc/99/88/79/368998879.db2.gz YXPRIKOCMUWOGH-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631840942 369340452 /nfs/dbraw/zinc/34/04/52/369340452.db2.gz WQTONGNTXKWMFM-CZUORRHYSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631840942 369340453 /nfs/dbraw/zinc/34/04/53/369340453.db2.gz WQTONGNTXKWMFM-CZUORRHYSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CCN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631840942 369340454 /nfs/dbraw/zinc/34/04/54/369340454.db2.gz WQTONGNTXKWMFM-CZUORRHYSA-N 1 3 246.398 2.318 20 0 BEADHO C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CN ZINC000631843098 369373238 /nfs/dbraw/zinc/37/32/38/369373238.db2.gz JGCWODWIDVAGJA-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CN ZINC000631843098 369373240 /nfs/dbraw/zinc/37/32/40/369373240.db2.gz JGCWODWIDVAGJA-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[N@@H+]1CCC[C@@H](CCNCc2ccco2)C1 ZINC000459731311 203345242 /nfs/dbraw/zinc/34/52/42/203345242.db2.gz LKRNUWPVKGHLLU-LBPRGKRZSA-N 1 3 222.332 2.101 20 0 BEADHO C[N@H+]1CCC[C@@H](CCNCc2ccco2)C1 ZINC000459731311 203345244 /nfs/dbraw/zinc/34/52/44/203345244.db2.gz LKRNUWPVKGHLLU-LBPRGKRZSA-N 1 3 222.332 2.101 20 0 BEADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000459737339 203347789 /nfs/dbraw/zinc/34/77/89/203347789.db2.gz QYFSBWACOJJVCO-UONOGXRCSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737339 203347792 /nfs/dbraw/zinc/34/77/92/203347792.db2.gz QYFSBWACOJJVCO-UONOGXRCSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000165542948 203385429 /nfs/dbraw/zinc/38/54/29/203385429.db2.gz MKZKTHNKXUDWNL-UHTWSYAYSA-N 1 3 210.365 2.247 20 0 BEADHO CCSCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252719758 370120079 /nfs/dbraw/zinc/12/00/79/370120079.db2.gz IVAVKVLVWCGJDV-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000621377190 370318633 /nfs/dbraw/zinc/31/86/33/370318633.db2.gz RLPVRLHYEACPML-SRVKXCTJSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000621377190 370318636 /nfs/dbraw/zinc/31/86/36/370318636.db2.gz RLPVRLHYEACPML-SRVKXCTJSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000621377190 370318641 /nfs/dbraw/zinc/31/86/41/370318641.db2.gz RLPVRLHYEACPML-SRVKXCTJSA-N 1 3 244.329 2.248 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000568249012 326334698 /nfs/dbraw/zinc/33/46/98/326334698.db2.gz DTCFWNNMAMNELH-MCIONIFRSA-N 1 3 240.391 2.195 20 0 BEADHO C[NH2+]CCC1CCN(Cc2ccnc(C)c2)CC1 ZINC000621774979 370521700 /nfs/dbraw/zinc/52/17/00/370521700.db2.gz BXLRWYRHUQQWHV-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC000621782845 370531751 /nfs/dbraw/zinc/53/17/51/370531751.db2.gz TVGOQMRIPVEGAX-HZPDHXFCSA-N 1 3 244.382 2.351 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@H]3CCC[C@@]3(N)C2)cc1 ZINC000621782845 370531753 /nfs/dbraw/zinc/53/17/53/370531753.db2.gz TVGOQMRIPVEGAX-HZPDHXFCSA-N 1 3 244.382 2.351 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCCCO1 ZINC000623849221 371124624 /nfs/dbraw/zinc/12/46/24/371124624.db2.gz ZNTBMMKWRHFQPK-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623849221 371124627 /nfs/dbraw/zinc/12/46/27/371124627.db2.gz ZNTBMMKWRHFQPK-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H](C)[C@@H]1CCCCO1 ZINC000623858808 371129568 /nfs/dbraw/zinc/12/95/68/371129568.db2.gz WOMFMHBBQFCXKY-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H](C)[C@@H]1CCCCO1 ZINC000623858808 371129572 /nfs/dbraw/zinc/12/95/72/371129572.db2.gz WOMFMHBBQFCXKY-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623858808 371129576 /nfs/dbraw/zinc/12/95/76/371129576.db2.gz WOMFMHBBQFCXKY-KGLIPLIRSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000624120918 371321236 /nfs/dbraw/zinc/32/12/36/371321236.db2.gz KFEQJKZWLXQMES-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000624120921 371321645 /nfs/dbraw/zinc/32/16/45/371321645.db2.gz KFEQJKZWLXQMES-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCC1 ZINC000624121367 371323339 /nfs/dbraw/zinc/32/33/39/371323339.db2.gz UTCUETFJAMOVIR-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123198 371324589 /nfs/dbraw/zinc/32/45/89/371324589.db2.gz HSICNQFWVAIFLH-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000624123392 371325075 /nfs/dbraw/zinc/32/50/75/371325075.db2.gz LCPHBRXYOJQBIG-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C/C=C\CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624199677 371391073 /nfs/dbraw/zinc/39/10/73/371391073.db2.gz VLZLVMVKNOOHOW-DXELUQJMSA-N 1 3 208.349 2.025 20 0 BEADHO C/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624199677 371391077 /nfs/dbraw/zinc/39/10/77/371391077.db2.gz VLZLVMVKNOOHOW-DXELUQJMSA-N 1 3 208.349 2.025 20 0 BEADHO C[C@H]1OCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000134203391 372179690 /nfs/dbraw/zinc/17/96/90/372179690.db2.gz YFFZSPSKQKTXJO-DGCLKSJQSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000631839208 372633765 /nfs/dbraw/zinc/63/37/65/372633765.db2.gz BXJCUHVVGDPCLF-HCKVZZMMSA-N 1 3 248.345 2.340 20 0 BEADHO C[C@H](c1ccc(F)cc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839553 372636725 /nfs/dbraw/zinc/63/67/25/372636725.db2.gz HRABYVDZHUTUSH-NQBHXWOUSA-N 1 3 236.334 2.413 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CN1CC1CCCCCC1 ZINC000631861623 372661416 /nfs/dbraw/zinc/66/14/16/372661416.db2.gz FUXMAQVPWSZSNY-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO FC1(F)CC[C@@H](C[NH2+][C@]23CCC[C@@H]2CNC3)C1 ZINC000631867048 372667733 /nfs/dbraw/zinc/66/77/33/372667733.db2.gz HSQORMPDDCARKV-UTUOFQBUSA-N 1 3 244.329 2.154 20 0 BEADHO NCCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873985 372675523 /nfs/dbraw/zinc/67/55/23/372675523.db2.gz XGGYWHUOFKLZNG-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NCCC[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000631873985 372675526 /nfs/dbraw/zinc/67/55/26/372675526.db2.gz XGGYWHUOFKLZNG-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]CCCN1CCC[C@H](C2CCC2)CC1 ZINC000631873985 372675530 /nfs/dbraw/zinc/67/55/30/372675530.db2.gz XGGYWHUOFKLZNG-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO CC(C)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178627734 134312061 /nfs/dbraw/zinc/31/20/61/134312061.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178627734 134312062 /nfs/dbraw/zinc/31/20/62/134312062.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000178627734 134312063 /nfs/dbraw/zinc/31/20/63/134312063.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000178627734 134312064 /nfs/dbraw/zinc/31/20/64/134312064.db2.gz TYFVEOHVWGMFQO-OLZOCXBDSA-N 1 3 210.365 2.059 20 0 BEADHO CCC[N@H+](CCCN(C)C)Cc1ccncc1 ZINC000290390680 169156298 /nfs/dbraw/zinc/15/62/98/169156298.db2.gz ITXNYFXFDAOTMB-UHFFFAOYSA-N 1 3 235.375 2.245 20 0 BEADHO CCC[N@@H+](CCCN(C)C)Cc1ccncc1 ZINC000290390680 169156301 /nfs/dbraw/zinc/15/63/01/169156301.db2.gz ITXNYFXFDAOTMB-UHFFFAOYSA-N 1 3 235.375 2.245 20 0 BEADHO CCC[N@H+](CCc1cccnc1)C1CCNCC1 ZINC000063223630 169169832 /nfs/dbraw/zinc/16/98/32/169169832.db2.gz CUPHJANUAWZFBO-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[N@@H+](CCc1cccnc1)C1CCNCC1 ZINC000063223630 169169833 /nfs/dbraw/zinc/16/98/33/169169833.db2.gz CUPHJANUAWZFBO-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCCN(CCc1cccnc1)C1CC[NH2+]CC1 ZINC000063223630 169169835 /nfs/dbraw/zinc/16/98/35/169169835.db2.gz CUPHJANUAWZFBO-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[NH+]1CCC(N[C@H](C)COC(C)C)CC1 ZINC000337337855 169189416 /nfs/dbraw/zinc/18/94/16/169189416.db2.gz NEVPHWVJLFNPCB-CYBMUJFWSA-N 1 3 242.407 2.264 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C2CCCC2)C1 ZINC000076453756 169206183 /nfs/dbraw/zinc/20/61/83/169206183.db2.gz BUPFBXZFKMQSLA-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000063197614 183396514 /nfs/dbraw/zinc/39/65/14/183396514.db2.gz HWSQKZUHRCRALA-OAHLLOKOSA-N 1 3 245.370 2.046 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCNC1)C2 ZINC000132241770 183445798 /nfs/dbraw/zinc/44/57/98/183445798.db2.gz KUATWQTZEKAICM-BBRMVZONSA-N 1 3 244.382 2.133 20 0 BEADHO CCC[C@@H](C)C[N@H+](C)[C@H]1CCCNCC1 ZINC000300215116 169357787 /nfs/dbraw/zinc/35/77/87/169357787.db2.gz KPBLXDDUQMBHBY-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000300215116 169357789 /nfs/dbraw/zinc/35/77/89/169357789.db2.gz KPBLXDDUQMBHBY-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099394 1172527251 /nfs/dbraw/zinc/52/72/51/1172527251.db2.gz PICIYNDEBMLFQJ-DGAVXFQQSA-N 1 3 224.392 2.305 20 0 BEADHO CC[C@H](C)[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099394 1172527256 /nfs/dbraw/zinc/52/72/56/1172527256.db2.gz PICIYNDEBMLFQJ-DGAVXFQQSA-N 1 3 224.392 2.305 20 0 BEADHO CCN(CC)CCC[NH2+]CC1CCSCC1 ZINC000401776390 383976416 /nfs/dbraw/zinc/97/64/16/383976416.db2.gz ZCSKWZPGTOINOF-UHFFFAOYSA-N 1 3 244.448 2.451 20 0 BEADHO Cc1cc(C)cc(CNC2CC[NH+](C)CC2)c1 ZINC000037978970 384049799 /nfs/dbraw/zinc/04/97/99/384049799.db2.gz SRPWDRXLDHYCFS-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO CC1(C)CC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547195 384033424 /nfs/dbraw/zinc/03/34/24/384033424.db2.gz AYWABYHZASYTHH-NWDGAFQWSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1C[C@H]1C ZINC000643549013 384040412 /nfs/dbraw/zinc/04/04/12/384040412.db2.gz YYMQXTFLMZFURU-VOAKCMCISA-N 1 3 222.376 2.295 20 0 BEADHO CN1CCC[C@@H](C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000092253836 384171186 /nfs/dbraw/zinc/17/11/86/384171186.db2.gz UIFCLCPHBLAKNX-CQSZACIVSA-N 1 3 248.370 2.166 20 0 BEADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cccc(O)c2)C1 ZINC000092253836 384171192 /nfs/dbraw/zinc/17/11/92/384171192.db2.gz UIFCLCPHBLAKNX-CQSZACIVSA-N 1 3 248.370 2.166 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000163243120 384189816 /nfs/dbraw/zinc/18/98/16/384189816.db2.gz IIJKKCIRIWDQBE-WBMJQRKESA-N 1 3 244.382 2.344 20 0 BEADHO CCc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163260263 384195492 /nfs/dbraw/zinc/19/54/92/384195492.db2.gz XINJRGVYNJBMMG-IUODEOHRSA-N 1 3 232.371 2.418 20 0 BEADHO CN(Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000093088609 384210504 /nfs/dbraw/zinc/21/05/04/384210504.db2.gz XKNUASRDRUWVAN-UHFFFAOYSA-N 1 3 222.332 2.053 20 0 BEADHO CCNCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000569566729 384251199 /nfs/dbraw/zinc/25/11/99/384251199.db2.gz YCRKMSKFPDCVOF-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000082645632 384254559 /nfs/dbraw/zinc/25/45/59/384254559.db2.gz YACRAAHCUORGQV-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645632 384254569 /nfs/dbraw/zinc/25/45/69/384254569.db2.gz YACRAAHCUORGQV-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCSC2)c2ccccc21 ZINC000228555329 384276244 /nfs/dbraw/zinc/27/62/44/384276244.db2.gz HVTRAKQEGALVOG-ZLKJLUDKSA-N 1 3 248.395 2.474 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236260768 384301169 /nfs/dbraw/zinc/30/11/69/384301169.db2.gz VSPMZFKYJCZFRG-AAEUAGOBSA-N 1 3 222.376 2.284 20 0 BEADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229060639 384414433 /nfs/dbraw/zinc/41/44/33/384414433.db2.gz CNHUWTXKMZMZPT-PWSUYJOCSA-N 1 3 238.400 2.473 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccsc1 ZINC000084216785 384377335 /nfs/dbraw/zinc/37/73/35/384377335.db2.gz BPKXAXSPDWVTQP-VXGBXAGGSA-N 1 3 224.373 2.355 20 0 BEADHO CC(C)C1([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000334195351 384389355 /nfs/dbraw/zinc/38/93/55/384389355.db2.gz KFACJIPGTSLVCL-OLZOCXBDSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000181134030 384456987 /nfs/dbraw/zinc/45/69/87/384456987.db2.gz NBMUDDKVYMFFPT-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000181134030 384456989 /nfs/dbraw/zinc/45/69/89/384456989.db2.gz NBMUDDKVYMFFPT-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000181134030 384456993 /nfs/dbraw/zinc/45/69/93/384456993.db2.gz NBMUDDKVYMFFPT-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CO[C@@H](C)[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000358016562 384516890 /nfs/dbraw/zinc/51/68/90/384516890.db2.gz GSVMZWVJFGBLQW-STQMWFEESA-N 1 3 242.407 2.120 20 0 BEADHO CCN(CC[C@H]1CC[NH2+]C1)CCC(F)(F)F ZINC000643057515 384561292 /nfs/dbraw/zinc/56/12/92/384561292.db2.gz LREKDWNPPDKDJB-SNVBAGLBSA-N 1 3 238.297 2.260 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000306053641 384568580 /nfs/dbraw/zinc/56/85/80/384568580.db2.gz WXWNKODGXHLZMY-GRYCIOLGSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000306053641 384568586 /nfs/dbraw/zinc/56/85/86/384568586.db2.gz WXWNKODGXHLZMY-GRYCIOLGSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000306053641 384568592 /nfs/dbraw/zinc/56/85/92/384568592.db2.gz WXWNKODGXHLZMY-GRYCIOLGSA-N 1 3 246.345 2.339 20 0 BEADHO CC[C@@](C)(C[NH2+]C[C@H]1CCN(C(C)C)C1)OC ZINC000319894243 384572806 /nfs/dbraw/zinc/57/28/06/384572806.db2.gz PJQSRSISNFXFPI-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@](C)(CNC[C@H]1CC[N@@H+](C(C)C)C1)OC ZINC000319894243 384572809 /nfs/dbraw/zinc/57/28/09/384572809.db2.gz PJQSRSISNFXFPI-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@](C)(CNC[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894243 384572814 /nfs/dbraw/zinc/57/28/14/384572814.db2.gz PJQSRSISNFXFPI-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235846889 384633061 /nfs/dbraw/zinc/63/30/61/384633061.db2.gz TWKUKQTUFCUOBF-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@](C)(CN)C2)c1 ZINC000235846889 384633069 /nfs/dbraw/zinc/63/30/69/384633069.db2.gz TWKUKQTUFCUOBF-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2CC[C@@](C)(CN)C2)c1 ZINC000235846889 384633074 /nfs/dbraw/zinc/63/30/74/384633074.db2.gz TWKUKQTUFCUOBF-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000568248686 384621779 /nfs/dbraw/zinc/62/17/79/384621779.db2.gz XWIVASLKZZZUOQ-NAWOPXAZSA-N 1 3 208.349 2.035 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000568247600 384601022 /nfs/dbraw/zinc/60/10/22/384601022.db2.gz RDYJLWNVSPXOJA-ZNHWEVIXSA-N 1 3 236.281 2.187 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000086402711 384646517 /nfs/dbraw/zinc/64/65/17/384646517.db2.gz SYLLCXMZRSQKQT-STQMWFEESA-N 1 3 210.365 2.426 20 0 BEADHO CN(Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000082666635 384700315 /nfs/dbraw/zinc/70/03/15/384700315.db2.gz YICRVFXFCKIOTE-CQSZACIVSA-N 1 3 218.344 2.261 20 0 BEADHO CN(C)CC1(C[NH2+]Cc2cccn2C)CCCC1 ZINC000185292488 384702607 /nfs/dbraw/zinc/70/26/07/384702607.db2.gz QDOHPWQYOZXGOW-UHFFFAOYSA-N 1 3 249.402 2.237 20 0 BEADHO CC(C)(C)CCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000300921861 384712987 /nfs/dbraw/zinc/71/29/87/384712987.db2.gz TZRQBFJFHFVKSN-CYBMUJFWSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CCC[N@H+]1CC[C@](C)(CN)C1 ZINC000300921861 384712989 /nfs/dbraw/zinc/71/29/89/384712989.db2.gz TZRQBFJFHFVKSN-CYBMUJFWSA-N 1 3 212.381 2.483 20 0 BEADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCN)C1 ZINC000647552761 384762645 /nfs/dbraw/zinc/76/26/45/384762645.db2.gz VNDBGEMJNTYZRJ-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCCN)C1 ZINC000647552761 384762653 /nfs/dbraw/zinc/76/26/53/384762653.db2.gz VNDBGEMJNTYZRJ-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H](C)C[NH2+][C@H]1CCNC12CCCC2 ZINC000647554297 384770895 /nfs/dbraw/zinc/77/08/95/384770895.db2.gz WGJANKGXQFXNNP-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CCC[NH2+]C[C@@H](C)CN(C)C ZINC000308592487 384834550 /nfs/dbraw/zinc/83/45/50/384834550.db2.gz WIMCZBGCQYXMGB-GFCCVEGCSA-N 1 3 200.370 2.210 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000105480763 384781725 /nfs/dbraw/zinc/78/17/25/384781725.db2.gz USHVXMRBOYUMRR-DZGCQCFKSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480763 384781731 /nfs/dbraw/zinc/78/17/31/384781731.db2.gz USHVXMRBOYUMRR-DZGCQCFKSA-N 1 3 232.371 2.425 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247388233 384839243 /nfs/dbraw/zinc/83/92/43/384839243.db2.gz VKQGXOPBVUMMTB-OLZOCXBDSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1C[C@H]1C ZINC000423370255 384840904 /nfs/dbraw/zinc/84/09/04/384840904.db2.gz PIHRIFTXDKRKEA-MLGHIDQZSA-N 1 3 210.365 2.281 20 0 BEADHO Cc1cncc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423373473 384848180 /nfs/dbraw/zinc/84/81/80/384848180.db2.gz HMDAPCYOVQKEBV-IACUBPJLSA-N 1 3 233.359 2.311 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2ccccc2)C1 ZINC000104424510 384851206 /nfs/dbraw/zinc/85/12/06/384851206.db2.gz RFFOXKXUQRKNFZ-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000104424510 384851213 /nfs/dbraw/zinc/85/12/13/384851213.db2.gz RFFOXKXUQRKNFZ-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424510 384851221 /nfs/dbraw/zinc/85/12/21/384851221.db2.gz RFFOXKXUQRKNFZ-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO Cc1ccc([C@H](C)NC[C@H](C)C[NH3+])s1 ZINC000308604107 384863301 /nfs/dbraw/zinc/86/33/01/384863301.db2.gz GKCUCTZWOLDXQK-SCZZXKLOSA-N 1 3 212.362 2.302 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000259072097 384956707 /nfs/dbraw/zinc/95/67/07/384956707.db2.gz QSRXTOPYZQGPPU-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258953106 384956971 /nfs/dbraw/zinc/95/69/71/384956971.db2.gz KNUBDJATYIKWKN-UONOGXRCSA-N 1 3 218.344 2.007 20 0 BEADHO C[C@@H](C[NH3+])CNCc1coc2ccccc12 ZINC000258699945 384931376 /nfs/dbraw/zinc/93/13/76/384931376.db2.gz GREMNWWBMFQRON-JTQLQIEISA-N 1 3 218.300 2.117 20 0 BEADHO Cc1ccsc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000258800990 384934496 /nfs/dbraw/zinc/93/44/96/384934496.db2.gz CDTDFWSRGMEPPS-MNOVXSKESA-N 1 3 224.373 2.068 20 0 BEADHO Cc1ccccc1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000258898028 384943806 /nfs/dbraw/zinc/94/38/06/384943806.db2.gz HJOGCXPIHGSTFK-KBPBESRZSA-N 1 3 218.344 2.007 20 0 BEADHO Cc1cnccc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404265928 384964763 /nfs/dbraw/zinc/96/47/63/384964763.db2.gz HHTKPNIPEAPNGK-SWLSCSKDSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)[C@H]1CCN ZINC000404281179 384965678 /nfs/dbraw/zinc/96/56/78/384965678.db2.gz FAWRGGXLJSPLQP-MCIONIFRSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)[C@H]1CCN ZINC000404281179 384965687 /nfs/dbraw/zinc/96/56/87/384965687.db2.gz FAWRGGXLJSPLQP-MCIONIFRSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)[C@@H]1CCN ZINC000404281177 384966593 /nfs/dbraw/zinc/96/65/93/384966593.db2.gz FAWRGGXLJSPLQP-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@@H]1CCN ZINC000404281177 384966597 /nfs/dbraw/zinc/96/65/97/384966597.db2.gz FAWRGGXLJSPLQP-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058041105 384979709 /nfs/dbraw/zinc/97/97/09/384979709.db2.gz IMUMZPSUQCFIOJ-TZMCWYRMSA-N 1 3 218.344 2.246 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCCC1 ZINC000308702567 385000510 /nfs/dbraw/zinc/00/05/10/385000510.db2.gz BBQQULBFNCAUDD-GMXVVIOVSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2)s1 ZINC000043327588 385000780 /nfs/dbraw/zinc/00/07/80/385000780.db2.gz ZFRAJAXWPLGORY-MNOVXSKESA-N 1 3 224.373 2.459 20 0 BEADHO C1CCCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000129805133 385014170 /nfs/dbraw/zinc/01/41/70/385014170.db2.gz SKSMBUYAKVAVBJ-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@H]([NH2+]C1CCCCC1)[C@@H]1CCCNC1 ZINC000129791856 385014668 /nfs/dbraw/zinc/01/46/68/385014668.db2.gz QZAHXWCKDGAGDS-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CCC(CC)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000130406649 385034356 /nfs/dbraw/zinc/03/43/56/385034356.db2.gz HXSGAXCHNFNCAT-ZDUSSCGKSA-N 1 3 212.381 2.402 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCCSC1 ZINC000061571279 385123021 /nfs/dbraw/zinc/12/30/21/385123021.db2.gz PEOICROGXWQDTK-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CCCSC1 ZINC000061571279 385123029 /nfs/dbraw/zinc/12/30/29/385123029.db2.gz PEOICROGXWQDTK-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@@H]1NCCC[NH+](C)C ZINC000151926873 385140631 /nfs/dbraw/zinc/14/06/31/385140631.db2.gz JWNOBWXTIOWJET-IUODEOHRSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccco1 ZINC000308808938 385178326 /nfs/dbraw/zinc/17/83/26/385178326.db2.gz GQDMJWFQDXDXSE-QWRGUYRKSA-N 1 3 210.321 2.448 20 0 BEADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccncc1 ZINC000160945327 385312066 /nfs/dbraw/zinc/31/20/66/385312066.db2.gz OOERCCOLKHSXKL-FPMFFAJLSA-N 1 3 233.359 2.250 20 0 BEADHO CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000647490855 385281562 /nfs/dbraw/zinc/28/15/62/385281562.db2.gz VOCAWENLJACLBV-STQMWFEESA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@H](C[N@H+]2CC[C@@H](CN)C2)C1 ZINC000647490855 385281571 /nfs/dbraw/zinc/28/15/71/385281571.db2.gz VOCAWENLJACLBV-STQMWFEESA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000397452322 385293859 /nfs/dbraw/zinc/29/38/59/385293859.db2.gz MGSHCDUSHWRUMU-CHWSQXEVSA-N 1 3 244.448 2.483 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(F)cc1 ZINC000309006282 385357105 /nfs/dbraw/zinc/35/71/05/385357105.db2.gz URYNCUWCPFTWQM-NXEZZACHSA-N 1 3 210.296 2.071 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(F)cc1 ZINC000309006285 385357548 /nfs/dbraw/zinc/35/75/48/385357548.db2.gz URYNCUWCPFTWQM-ZJUUUORDSA-N 1 3 210.296 2.071 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000179149487 385368361 /nfs/dbraw/zinc/36/83/61/385368361.db2.gz SEWJFTQOHIWECQ-JHJVBQTASA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000179149487 385368366 /nfs/dbraw/zinc/36/83/66/385368366.db2.gz SEWJFTQOHIWECQ-JHJVBQTASA-N 1 3 210.365 2.271 20 0 BEADHO Cc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000309013152 385368765 /nfs/dbraw/zinc/36/87/65/385368765.db2.gz YDOGSQURYXDPBO-NEPJUHHUSA-N 1 3 206.333 2.240 20 0 BEADHO Cc1cnccc1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000359478834 385370791 /nfs/dbraw/zinc/37/07/91/385370791.db2.gz GHVYGMONLJANBK-OKILXGFUSA-N 1 3 247.386 2.487 20 0 BEADHO Cc1cnccc1NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000359478834 385370795 /nfs/dbraw/zinc/37/07/95/385370795.db2.gz GHVYGMONLJANBK-OKILXGFUSA-N 1 3 247.386 2.487 20 0 BEADHO CCSCC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000309061031 385397298 /nfs/dbraw/zinc/39/72/98/385397298.db2.gz WPPWAWBUMMQVFN-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO CCSCCN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000309061031 385397299 /nfs/dbraw/zinc/39/72/99/385397299.db2.gz WPPWAWBUMMQVFN-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](CN)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309322350 385533099 /nfs/dbraw/zinc/53/30/99/385533099.db2.gz HIYIKCDAWQASOX-XNWIYYODSA-N 1 3 238.297 2.292 20 0 BEADHO COC(C)(C)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000302510577 385534837 /nfs/dbraw/zinc/53/48/37/385534837.db2.gz VCUVECROUXEYJS-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000302510577 385534842 /nfs/dbraw/zinc/53/48/42/385534842.db2.gz VCUVECROUXEYJS-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H](CCC(C)(C)C)[NH2+]CCOCCN(C)C ZINC000302560146 385538212 /nfs/dbraw/zinc/53/82/12/385538212.db2.gz XZXFTPOQNCREEV-ZDUSSCGKSA-N 1 3 244.423 2.369 20 0 BEADHO C[C@@H](CCc1ccccc1)NCC(C)(C)[NH3+] ZINC000309350319 385542909 /nfs/dbraw/zinc/54/29/09/385542909.db2.gz MJCUNGUOWQFBMH-LBPRGKRZSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@@H]1C ZINC000309352609 385544252 /nfs/dbraw/zinc/54/42/52/385544252.db2.gz NJVAMISZMJEZFW-KSTCHIGDSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000309352609 385544253 /nfs/dbraw/zinc/54/42/53/385544253.db2.gz NJVAMISZMJEZFW-KSTCHIGDSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000309352609 385544255 /nfs/dbraw/zinc/54/42/55/385544255.db2.gz NJVAMISZMJEZFW-KSTCHIGDSA-N 1 3 222.376 2.247 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccccc1 ZINC000107785202 385584199 /nfs/dbraw/zinc/58/41/99/385584199.db2.gz YPCNYXVGEVQRDO-AAEUAGOBSA-N 1 3 206.333 2.321 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000414849771 385630175 /nfs/dbraw/zinc/63/01/75/385630175.db2.gz YNPNLMCOVZJLQZ-ZDEQEGDKSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414853146 385684561 /nfs/dbraw/zinc/68/45/61/385684561.db2.gz RXVJPFZELPHMKS-SNPRPXQTSA-N 1 3 232.371 2.235 20 0 BEADHO C[NH2+]C[C@@H](C)CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414853146 385684566 /nfs/dbraw/zinc/68/45/66/385684566.db2.gz RXVJPFZELPHMKS-SNPRPXQTSA-N 1 3 232.371 2.235 20 0 BEADHO C(N[C@@H]1CCCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414853785 385690491 /nfs/dbraw/zinc/69/04/91/385690491.db2.gz YCKAIYSETACBFS-MELADBBJSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@@H]1CCCC[C@H]1C1CC1)[C@@H]1CCCN1 ZINC000414853785 385690494 /nfs/dbraw/zinc/69/04/94/385690494.db2.gz YCKAIYSETACBFS-MELADBBJSA-N 1 3 222.376 2.297 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000337499538 385692503 /nfs/dbraw/zinc/69/25/03/385692503.db2.gz ZWSMXLUAFGRHPV-KFWWJZLASA-N 1 3 234.387 2.417 20 0 BEADHO CCC[C@@]1(C)CCCN(CCC[NH2+]C)C1 ZINC000336689184 385711376 /nfs/dbraw/zinc/71/13/76/385711376.db2.gz VVNGFTPPEGITOQ-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@@]1(C)CCC[N@H+](CCCNC)C1 ZINC000336689184 385711378 /nfs/dbraw/zinc/71/13/78/385711378.db2.gz VVNGFTPPEGITOQ-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@@]1(C)CCC[N@@H+](CCCNC)C1 ZINC000336689184 385711383 /nfs/dbraw/zinc/71/13/83/385711383.db2.gz VVNGFTPPEGITOQ-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1CC=CCC1)CN(C)C ZINC000336688588 385711390 /nfs/dbraw/zinc/71/13/90/385711390.db2.gz LTWAWQVPIFLVHR-OLZOCXBDSA-N 1 3 210.365 2.130 20 0 BEADHO CCSCC[C@@H](C)N(C)CCC[NH2+]C ZINC000336735824 385716646 /nfs/dbraw/zinc/71/66/46/385716646.db2.gz OOEVRDCZOCDZAT-LLVKDONJSA-N 1 3 218.410 2.059 20 0 BEADHO CCSCC[C@@H](C)[N@H+](C)CCCNC ZINC000336735824 385716649 /nfs/dbraw/zinc/71/66/49/385716649.db2.gz OOEVRDCZOCDZAT-LLVKDONJSA-N 1 3 218.410 2.059 20 0 BEADHO CCSCC[C@@H](C)[N@@H+](C)CCCNC ZINC000336735824 385716653 /nfs/dbraw/zinc/71/66/53/385716653.db2.gz OOEVRDCZOCDZAT-LLVKDONJSA-N 1 3 218.410 2.059 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000336691944 385728817 /nfs/dbraw/zinc/72/88/17/385728817.db2.gz HPPLNZMQDDLCJW-FZMZJTMJSA-N 1 3 236.359 2.331 20 0 BEADHO C[NH2+]CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414857514 385730555 /nfs/dbraw/zinc/73/05/55/385730555.db2.gz DPPXEAZIFOCSPZ-CYBMUJFWSA-N 1 3 238.762 2.006 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414857720 385732982 /nfs/dbraw/zinc/73/29/82/385732982.db2.gz FKQNXTZNEBGVEW-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO C[NH2+]CCCN[C@@H](C)CCc1cccc(F)c1 ZINC000414857720 385732987 /nfs/dbraw/zinc/73/29/87/385732987.db2.gz FKQNXTZNEBGVEW-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC000336692392 385734769 /nfs/dbraw/zinc/73/47/69/385734769.db2.gz QGLJMBBBVGDNBD-RYUDHWBXSA-N 1 3 200.370 2.386 20 0 BEADHO C[N@H+](CCCCCF)[C@@H]1CCCNCC1 ZINC000336704293 385785910 /nfs/dbraw/zinc/78/59/10/385785910.db2.gz QPMJZPPZNHRMEG-GFCCVEGCSA-N 1 3 216.344 2.200 20 0 BEADHO C[N@@H+](CCCCCF)[C@@H]1CCCNCC1 ZINC000336704293 385785917 /nfs/dbraw/zinc/78/59/17/385785917.db2.gz QPMJZPPZNHRMEG-GFCCVEGCSA-N 1 3 216.344 2.200 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000336697916 385755474 /nfs/dbraw/zinc/75/54/74/385755474.db2.gz OLNSSCLEFZDSOX-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO C(C[NH2+][C@H]1CCNC1)CC1CCCCC1 ZINC000414863491 385758435 /nfs/dbraw/zinc/75/84/35/385758435.db2.gz ASZXZDVFHZRMMM-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO C[NH2+]CCCN[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414864699 385764559 /nfs/dbraw/zinc/76/45/59/385764559.db2.gz ZTXLLUGLWLVKKR-VHDGCEQUSA-N 1 3 232.371 2.378 20 0 BEADHO CNCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000414864699 385764564 /nfs/dbraw/zinc/76/45/64/385764564.db2.gz ZTXLLUGLWLVKKR-VHDGCEQUSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CN(C)C ZINC000336655852 385766870 /nfs/dbraw/zinc/76/68/70/385766870.db2.gz ABWPWNHMHVEWOJ-AGIUHOORSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)CN(C)C ZINC000336713368 385806882 /nfs/dbraw/zinc/80/68/82/385806882.db2.gz VLRRGEPZQAKKME-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)CC(F)F ZINC000647801453 385811445 /nfs/dbraw/zinc/81/14/45/385811445.db2.gz WDLZWMHOBGPAAW-GARJFASQSA-N 1 3 234.334 2.255 20 0 BEADHO CCC[NH2+]CCNC[C@@H]1CCCC[C@H]1C ZINC000414868189 385814657 /nfs/dbraw/zinc/81/46/57/385814657.db2.gz JPZJPBUPOPFFFN-OLZOCXBDSA-N 1 3 212.381 2.402 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC000412980643 385817314 /nfs/dbraw/zinc/81/73/14/385817314.db2.gz YGWANZQDIVXTOH-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC000412980643 385817316 /nfs/dbraw/zinc/81/73/16/385817316.db2.gz YGWANZQDIVXTOH-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc(OCC2CC2)cc1 ZINC000414869110 385831861 /nfs/dbraw/zinc/83/18/61/385831861.db2.gz ABHFOVHHKMHKPI-LBPRGKRZSA-N 1 3 248.370 2.160 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804320 385840499 /nfs/dbraw/zinc/84/04/99/385840499.db2.gz OZXPYIQSBQMRJU-PYNQCMFNSA-N 1 3 228.355 2.232 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647804008 385841029 /nfs/dbraw/zinc/84/10/29/385841029.db2.gz HOYGYSGSYQFBFD-POQQGIQPSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCN1 ZINC000647804008 385841030 /nfs/dbraw/zinc/84/10/30/385841030.db2.gz HOYGYSGSYQFBFD-POQQGIQPSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647804258 385841603 /nfs/dbraw/zinc/84/16/03/385841603.db2.gz MWCVXOWILPGAQL-QKEWWQLBSA-N 1 3 216.344 2.230 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414869841 385841904 /nfs/dbraw/zinc/84/19/04/385841904.db2.gz BHNHYHFEAUOYHZ-RYUDHWBXSA-N 1 3 238.350 2.331 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340462343 385849754 /nfs/dbraw/zinc/84/97/54/385849754.db2.gz LTNNGYLZHGSPQM-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)[C@]1(C)CCCO1 ZINC000340462343 385849758 /nfs/dbraw/zinc/84/97/58/385849758.db2.gz LTNNGYLZHGSPQM-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@@H](C[NH3+])CNC/C=C\c1ccc(F)cc1 ZINC000414874697 385886237 /nfs/dbraw/zinc/88/62/37/385886237.db2.gz IUSVSTPNYRQPGU-QUCGXOGASA-N 1 3 222.307 2.023 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccsc1 ZINC000414874692 385887448 /nfs/dbraw/zinc/88/74/48/385887448.db2.gz IURDDIMABPPJIH-MNOVXSKESA-N 1 3 226.389 2.254 20 0 BEADHO CC(C)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000123706616 385904848 /nfs/dbraw/zinc/90/48/48/385904848.db2.gz XXAAOWPQSJOXJT-LBPRGKRZSA-N 1 3 200.370 2.338 20 0 BEADHO FC1(F)CC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000334492159 385908605 /nfs/dbraw/zinc/90/86/05/385908605.db2.gz FCEYWOREDMHCNS-RYUDHWBXSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000334492159 385908609 /nfs/dbraw/zinc/90/86/09/385908609.db2.gz FCEYWOREDMHCNS-RYUDHWBXSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000334492159 385908612 /nfs/dbraw/zinc/90/86/12/385908612.db2.gz FCEYWOREDMHCNS-RYUDHWBXSA-N 1 3 244.329 2.248 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC(C)C ZINC000338232506 385922908 /nfs/dbraw/zinc/92/29/08/385922908.db2.gz FXXSTZOTZDTJOQ-UHFFFAOYSA-N 1 3 200.370 2.306 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC(C)C ZINC000338232506 385922911 /nfs/dbraw/zinc/92/29/11/385922911.db2.gz FXXSTZOTZDTJOQ-UHFFFAOYSA-N 1 3 200.370 2.306 20 0 BEADHO CC[NH+](CC)CCCN(C)CC(C)C ZINC000338232506 385922915 /nfs/dbraw/zinc/92/29/15/385922915.db2.gz FXXSTZOTZDTJOQ-UHFFFAOYSA-N 1 3 200.370 2.306 20 0 BEADHO CSc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000342096221 385926859 /nfs/dbraw/zinc/92/68/59/385926859.db2.gz GWTSBKPADLWGSU-UHFFFAOYSA-N 1 3 236.384 2.380 20 0 BEADHO CCCOc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000414871602 385862384 /nfs/dbraw/zinc/86/23/84/385862384.db2.gz DKOWIVCSYRKKRT-LBPRGKRZSA-N 1 3 236.359 2.160 20 0 BEADHO c1ccc(CC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814213 385868996 /nfs/dbraw/zinc/86/89/96/385868996.db2.gz CVUFZEPQDBGRCL-UHFFFAOYSA-N 1 3 244.382 2.446 20 0 BEADHO c1ccc(CC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814213 385868999 /nfs/dbraw/zinc/86/89/99/385868999.db2.gz CVUFZEPQDBGRCL-UHFFFAOYSA-N 1 3 244.382 2.446 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337990054 385869998 /nfs/dbraw/zinc/86/99/98/385869998.db2.gz SCMPCQRTMJSBTG-LSDHHAIUSA-N 1 3 234.387 2.417 20 0 BEADHO Cc1ccc2cc(CNC[C@H](C)C[NH3+])ccc2n1 ZINC000414872945 385871136 /nfs/dbraw/zinc/87/11/36/385871136.db2.gz GSSLJBMUHOIXOQ-LLVKDONJSA-N 1 3 243.354 2.228 20 0 BEADHO C[C@@H](C[NH3+])CNC/C=C/c1ccc(F)cc1F ZINC000414873335 385873131 /nfs/dbraw/zinc/87/31/31/385873131.db2.gz HBALOOYPVPGHLD-PBKGFPTLSA-N 1 3 240.297 2.162 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC[C@H]1CCCO1 ZINC000338346115 385975662 /nfs/dbraw/zinc/97/56/62/385975662.db2.gz BKBGPRQBRUEVAN-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000338346115 385975668 /nfs/dbraw/zinc/97/56/68/385975668.db2.gz BKBGPRQBRUEVAN-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO Cc1ccc(CNCCC[C@@H]2CCC[NH2+]2)nc1 ZINC000414972058 385982099 /nfs/dbraw/zinc/98/20/99/385982099.db2.gz LUTYXRBXRBACGH-CYBMUJFWSA-N 1 3 233.359 2.012 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000335040559 385933592 /nfs/dbraw/zinc/93/35/92/385933592.db2.gz RPZIPYQOJUHAIK-NWDGAFQWSA-N 1 3 224.373 2.498 20 0 BEADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CN(C)C ZINC000291742466 385935747 /nfs/dbraw/zinc/93/57/47/385935747.db2.gz PBONNNWXAZLDLT-LLVKDONJSA-N 1 3 238.350 2.421 20 0 BEADHO NC1(C[NH2+]Cc2ccc3ncccc3c2)CCC1 ZINC000414878228 385936906 /nfs/dbraw/zinc/93/69/06/385936906.db2.gz GTRNXRLXUKWODI-UHFFFAOYSA-N 1 3 241.338 2.206 20 0 BEADHO Cc1cc(C)cc(C[NH2+]CC2(N)CCC2)c1 ZINC000342173064 385939419 /nfs/dbraw/zinc/93/94/19/385939419.db2.gz TVIIQVYQKQWGQK-UHFFFAOYSA-N 1 3 218.344 2.274 20 0 BEADHO Cc1cccc(C[NH2+]CC2(N)CCC2)c1C ZINC000414879759 385956346 /nfs/dbraw/zinc/95/63/46/385956346.db2.gz IURFFQQJZALYSZ-UHFFFAOYSA-N 1 3 218.344 2.274 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H]2[C@H](C1)C2(C)C ZINC000338317971 385968018 /nfs/dbraw/zinc/96/80/18/385968018.db2.gz SQCGPGQTAWJKHW-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000338317971 385968021 /nfs/dbraw/zinc/96/80/21/385968021.db2.gz SQCGPGQTAWJKHW-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000338317971 385968022 /nfs/dbraw/zinc/96/80/22/385968022.db2.gz SQCGPGQTAWJKHW-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(Cl)cc1C ZINC000414974078 386004794 /nfs/dbraw/zinc/00/47/94/386004794.db2.gz CXVQQZYATCKZEK-GFCCVEGCSA-N 1 3 226.751 2.475 20 0 BEADHO CC[NH+](CC)CCCNC1CC(OC(C)C)C1 ZINC000189558602 386026068 /nfs/dbraw/zinc/02/60/68/386026068.db2.gz PNBNMKUNSVFOQJ-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CCC[NH2+]C1CC(OC(C)C)C1 ZINC000189558602 386026075 /nfs/dbraw/zinc/02/60/75/386026075.db2.gz PNBNMKUNSVFOQJ-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CCC[NH2+]C1CC(C)(C)C1 ZINC000336771447 386040891 /nfs/dbraw/zinc/04/08/91/386040891.db2.gz WTPLZMVSLOZTKN-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)CCN)Cc1ccccc1 ZINC000414884844 386050377 /nfs/dbraw/zinc/05/03/77/386050377.db2.gz BKLDOASYPOKCKL-CHWSQXEVSA-N 1 3 220.360 2.192 20 0 BEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000414889337 386115024 /nfs/dbraw/zinc/11/50/24/386115024.db2.gz GGMATYNYHUTAGQ-CQSZACIVSA-N 1 3 218.344 2.130 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccccc1F ZINC000414981889 386062530 /nfs/dbraw/zinc/06/25/30/386062530.db2.gz CKDGMYSKLQFRNZ-WCQYABFASA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000414886758 386077683 /nfs/dbraw/zinc/07/76/83/386077683.db2.gz QLCFCVGOBWXTGT-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc(C)c(CN[C@H](C)CC[NH3+])cc1C ZINC000414886945 386087269 /nfs/dbraw/zinc/08/72/69/386087269.db2.gz QEQIBCGQQQZSRK-CYBMUJFWSA-N 1 3 220.360 2.439 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280087 386092424 /nfs/dbraw/zinc/09/24/24/386092424.db2.gz BYRGRJHGFINFQL-QNWHQSFQSA-N 1 3 228.355 2.197 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280087 386092427 /nfs/dbraw/zinc/09/24/27/386092427.db2.gz BYRGRJHGFINFQL-QNWHQSFQSA-N 1 3 228.355 2.197 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000414887744 386095109 /nfs/dbraw/zinc/09/51/09/386095109.db2.gz ZJPKECVKKXZPOP-GHMZBOCLSA-N 1 3 240.778 2.455 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414984516 386095402 /nfs/dbraw/zinc/09/54/02/386095402.db2.gz UXTMLCPJWVWOGK-ITDFMYJTSA-N 1 3 222.307 2.166 20 0 BEADHO C[C@@H](CNC[C@@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000414888489 386098729 /nfs/dbraw/zinc/09/87/29/386098729.db2.gz JWVJCZSSWLFINI-IINYFYTJSA-N 1 3 236.334 2.256 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000414892272 386150707 /nfs/dbraw/zinc/15/07/07/386150707.db2.gz XTTFRFQIQSMPEX-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CC[NH3+])NC/C=C\c1ccc(F)cc1 ZINC000414892672 386153561 /nfs/dbraw/zinc/15/35/61/386153561.db2.gz XHURBMVZEPANCK-QUCGXOGASA-N 1 3 222.307 2.166 20 0 BEADHO C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCNC1 ZINC000414893251 386153927 /nfs/dbraw/zinc/15/39/27/386153927.db2.gz YYHYHOCMTMXVOI-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1cccc([C@@H]2CCCN2CCC[NH3+])c1 ZINC000414681601 386163247 /nfs/dbraw/zinc/16/32/47/386163247.db2.gz WCGKQCSRCIJTEW-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN)c1 ZINC000414681601 386163253 /nfs/dbraw/zinc/16/32/53/386163253.db2.gz WCGKQCSRCIJTEW-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1cccc([C@@H]2CCC[N@H+]2CCCN)c1 ZINC000414681601 386163259 /nfs/dbraw/zinc/16/32/59/386163259.db2.gz WCGKQCSRCIJTEW-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO [NH3+]CCCN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000414682668 386166003 /nfs/dbraw/zinc/16/60/03/386166003.db2.gz ADVHRYYXIVOZSD-AWEZNQCLSA-N 1 3 236.334 2.181 20 0 BEADHO NCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000414682668 386166005 /nfs/dbraw/zinc/16/60/05/386166005.db2.gz ADVHRYYXIVOZSD-AWEZNQCLSA-N 1 3 236.334 2.181 20 0 BEADHO NCCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000414682668 386166011 /nfs/dbraw/zinc/16/60/11/386166011.db2.gz ADVHRYYXIVOZSD-AWEZNQCLSA-N 1 3 236.334 2.181 20 0 BEADHO CCOC[C@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414686904 386177252 /nfs/dbraw/zinc/17/72/52/386177252.db2.gz BTGZDVDHGUWMHF-UONOGXRCSA-N 1 3 242.407 2.108 20 0 BEADHO CCOC[C@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414686904 386177257 /nfs/dbraw/zinc/17/72/57/386177257.db2.gz BTGZDVDHGUWMHF-UONOGXRCSA-N 1 3 242.407 2.108 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](CC)Cc1ccccc1 ZINC000414995780 386179436 /nfs/dbraw/zinc/17/94/36/386179436.db2.gz WSGKXSGXMCRONP-KGLIPLIRSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1cccc(F)c1 ZINC000414995886 386180341 /nfs/dbraw/zinc/18/03/41/386180341.db2.gz WTTSEMXIDZKLSC-SMDDNHRTSA-N 1 3 238.350 2.474 20 0 BEADHO CC(C)Oc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414895321 386185314 /nfs/dbraw/zinc/18/53/14/386185314.db2.gz NAMCHBRDVVYNKK-OAHLLOKOSA-N 1 3 248.370 2.301 20 0 BEADHO c1ccc([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874484 386139698 /nfs/dbraw/zinc/13/96/98/386139698.db2.gz ZSRCRDFIXHAXEU-ZFWWWQNUSA-N 1 3 230.355 2.433 20 0 BEADHO C[C@H](CCN)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414891523 386142697 /nfs/dbraw/zinc/14/26/97/386142697.db2.gz ILSJYNNAPOKQIJ-KXUCPTDWSA-N 1 3 238.297 2.434 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000647874666 386143838 /nfs/dbraw/zinc/14/38/38/386143838.db2.gz KUMBBEGGYWAXCY-WFASDCNBSA-N 1 3 230.355 2.215 20 0 BEADHO Cc1cccc(C[NH2+]C[C@@H](N)C2CC2)c1C ZINC000414896546 386204814 /nfs/dbraw/zinc/20/48/14/386204814.db2.gz PHKBIGHZWABHIC-CQSZACIVSA-N 1 3 218.344 2.130 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CCN)c1ccc(F)cc1 ZINC000414896774 386207319 /nfs/dbraw/zinc/20/73/19/386207319.db2.gz PUWPHBFCOIWFSQ-QWRGUYRKSA-N 1 3 224.323 2.256 20 0 BEADHO CCCC[N@H+](CCOC)C[C@@H](N)CC(C)C ZINC000414700579 386207349 /nfs/dbraw/zinc/20/73/49/386207349.db2.gz TWRQWCZTUGHAKT-ZDUSSCGKSA-N 1 3 230.396 2.108 20 0 BEADHO CCCC[N@@H+](CCOC)C[C@@H](N)CC(C)C ZINC000414700579 386207353 /nfs/dbraw/zinc/20/73/53/386207353.db2.gz TWRQWCZTUGHAKT-ZDUSSCGKSA-N 1 3 230.396 2.108 20 0 BEADHO C[C@H](CCN)[NH2+]CCSCc1ccccc1 ZINC000414896989 386210840 /nfs/dbraw/zinc/21/08/40/386210840.db2.gz QNAYMTQRZFWPCM-GFCCVEGCSA-N 1 3 238.400 2.247 20 0 BEADHO C[C@H](CC[NH3+])NCCSCc1ccccc1 ZINC000414896989 386210848 /nfs/dbraw/zinc/21/08/48/386210848.db2.gz QNAYMTQRZFWPCM-GFCCVEGCSA-N 1 3 238.400 2.247 20 0 BEADHO CCCN(CCC[NH3+])CCc1cccc(F)c1 ZINC000414706478 386218811 /nfs/dbraw/zinc/21/88/11/386218811.db2.gz XWJJPIZJBANKOL-UHFFFAOYSA-N 1 3 238.350 2.429 20 0 BEADHO CCC[N@H+](CCCN)CCc1cccc(F)c1 ZINC000414706478 386218818 /nfs/dbraw/zinc/21/88/18/386218818.db2.gz XWJJPIZJBANKOL-UHFFFAOYSA-N 1 3 238.350 2.429 20 0 BEADHO CCC[N@@H+](CCCN)CCc1cccc(F)c1 ZINC000414706478 386218823 /nfs/dbraw/zinc/21/88/23/386218823.db2.gz XWJJPIZJBANKOL-UHFFFAOYSA-N 1 3 238.350 2.429 20 0 BEADHO COc1ccc([C@H](C)C[N@@H+]2CC[C@H](CN)C2)cc1 ZINC000347046544 386229399 /nfs/dbraw/zinc/22/93/99/386229399.db2.gz OPMBRPUMWMMSBY-CHWSQXEVSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@H](C)C[N@H+]2CC[C@H](CN)C2)cc1 ZINC000347046544 386229404 /nfs/dbraw/zinc/22/94/04/386229404.db2.gz OPMBRPUMWMMSBY-CHWSQXEVSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@H](C)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000347046544 386229409 /nfs/dbraw/zinc/22/94/09/386229409.db2.gz OPMBRPUMWMMSBY-CHWSQXEVSA-N 1 3 248.370 2.079 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339066399 386231721 /nfs/dbraw/zinc/23/17/21/386231721.db2.gz BZKLPLKIBXGSBJ-BPLDGKMQSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339066399 386231725 /nfs/dbraw/zinc/23/17/25/386231725.db2.gz BZKLPLKIBXGSBJ-BPLDGKMQSA-N 1 3 248.370 2.427 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H](C)N)cc1C ZINC000415001906 386235134 /nfs/dbraw/zinc/23/51/34/386235134.db2.gz CQLKYXOUBMXFQV-OLZOCXBDSA-N 1 3 220.360 2.437 20 0 BEADHO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)[C@H](C)N ZINC000415002056 386237661 /nfs/dbraw/zinc/23/76/61/386237661.db2.gz DEWLOWZHRGLKPA-MJKAUQOVSA-N 1 3 222.307 2.164 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336666801 386293423 /nfs/dbraw/zinc/29/34/23/386293423.db2.gz LHAIIHWPAULLAW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000336666801 386293426 /nfs/dbraw/zinc/29/34/26/386293426.db2.gz LHAIIHWPAULLAW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336666801 386293432 /nfs/dbraw/zinc/29/34/32/386293432.db2.gz LHAIIHWPAULLAW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCc1cc(OC)ccc1CN[C@H](C)CC[NH3+] ZINC000414901541 386308397 /nfs/dbraw/zinc/30/83/97/386308397.db2.gz XFBPVNUIMIWRIW-LLVKDONJSA-N 1 3 236.359 2.085 20 0 BEADHO CC[C@H]1Cc2ccccc2CN1CCC[NH3+] ZINC000414735075 386309014 /nfs/dbraw/zinc/30/90/14/386309014.db2.gz FONHTJUGFVQVLM-AWEZNQCLSA-N 1 3 218.344 2.172 20 0 BEADHO Cc1ccncc1CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414738291 386317043 /nfs/dbraw/zinc/31/70/43/386317043.db2.gz JAWYYYCAMWOYLV-KGLIPLIRSA-N 1 3 247.386 2.210 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1 ZINC000335261609 386320394 /nfs/dbraw/zinc/32/03/94/386320394.db2.gz OZYHCDQEFBNEDS-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1C ZINC000415004306 386276170 /nfs/dbraw/zinc/27/61/70/386276170.db2.gz HNNFJJRUUPGXBE-NWDGAFQWSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1nc2ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc2s1 ZINC000415006857 386346943 /nfs/dbraw/zinc/34/69/43/386346943.db2.gz CAPIABQYPFOQIP-BDAKNGLRSA-N 1 3 249.383 2.430 20 0 BEADHO Cc1cccc(C)c1C[NH2+]C1CCNCC1 ZINC000335278833 386347346 /nfs/dbraw/zinc/34/73/46/386347346.db2.gz QUBXWHQRKJLCPY-UHFFFAOYSA-N 1 3 218.344 2.145 20 0 BEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191810 386364761 /nfs/dbraw/zinc/36/47/61/386364761.db2.gz AFERYDOMUDHULF-TZMCWYRMSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191810 386364768 /nfs/dbraw/zinc/36/47/68/386364768.db2.gz AFERYDOMUDHULF-TZMCWYRMSA-N 1 3 218.344 2.388 20 0 BEADHO CC(C)C[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890131 386367274 /nfs/dbraw/zinc/36/72/74/386367274.db2.gz TWIFOQDGLBBYHH-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO COCC1(C)CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414753412 386388658 /nfs/dbraw/zinc/38/86/58/386388658.db2.gz MIXYVZOQKXTCTI-ZDUSSCGKSA-N 1 3 242.407 2.108 20 0 BEADHO CSc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000415008610 386389942 /nfs/dbraw/zinc/38/99/42/386389942.db2.gz MZDCWKLMNHDPQF-VHSXEESVSA-N 1 3 224.373 2.234 20 0 BEADHO COC1CC(NCCC[NH+](C(C)C)C(C)C)C1 ZINC000347431545 386402204 /nfs/dbraw/zinc/40/22/04/386402204.db2.gz OLJIZYAJVNCCLE-UHFFFAOYSA-N 1 3 242.407 2.262 20 0 BEADHO C[NH+]1CCC(C)(CNCc2ccco2)CC1 ZINC000227328206 386475814 /nfs/dbraw/zinc/47/58/14/386475814.db2.gz YYUJSWTUQCDUSX-UHFFFAOYSA-N 1 3 222.332 2.101 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+]C1CCNCC1 ZINC000414775835 386477141 /nfs/dbraw/zinc/47/71/41/386477141.db2.gz DLDPARLLAHHUMM-SECBINFHSA-N 1 3 238.297 2.449 20 0 BEADHO CC[C@H]1CN(CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000647934485 386479074 /nfs/dbraw/zinc/47/90/74/386479074.db2.gz GXQUJUQYYXROGD-LSDHHAIUSA-N 1 3 247.386 2.073 20 0 BEADHO C1CC2(C1)CCC[C@H]2[NH2+]C1CCNCC1 ZINC000335453909 386529158 /nfs/dbraw/zinc/52/91/58/386529158.db2.gz XNXNUOJZVJLUBY-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415019526 386496480 /nfs/dbraw/zinc/49/64/80/386496480.db2.gz RTXIOLQVAGOQGQ-VXGBXAGGSA-N 1 3 248.370 2.301 20 0 BEADHO CN(CCCCOc1ccccc1)C1CC([NH3+])C1 ZINC000414781544 386500335 /nfs/dbraw/zinc/50/03/35/386500335.db2.gz VTBAADDRGJJXNX-UHFFFAOYSA-N 1 3 248.370 2.267 20 0 BEADHO C[N@H+](CCCCOc1ccccc1)C1CC(N)C1 ZINC000414781544 386500341 /nfs/dbraw/zinc/50/03/41/386500341.db2.gz VTBAADDRGJJXNX-UHFFFAOYSA-N 1 3 248.370 2.267 20 0 BEADHO C[N@@H+](CCCCOc1ccccc1)C1CC(N)C1 ZINC000414781544 386500346 /nfs/dbraw/zinc/50/03/46/386500346.db2.gz VTBAADDRGJJXNX-UHFFFAOYSA-N 1 3 248.370 2.267 20 0 BEADHO C[C@H](CCC[NH3+])NCc1c(F)cccc1F ZINC000415016856 386502936 /nfs/dbraw/zinc/50/29/36/386502936.db2.gz DHLPJGZJZQFFMY-SECBINFHSA-N 1 3 228.286 2.182 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCC[C@H](C)C1 ZINC000415050483 386504908 /nfs/dbraw/zinc/50/49/08/386504908.db2.gz CWZZBTQGWYSFDC-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO Cc1cc(Cl)ccc1C[NH2+][C@H](C)[C@@H](C)N ZINC000415022557 386511049 /nfs/dbraw/zinc/51/10/49/386511049.db2.gz VLXACXXRLZXCMW-NXEZZACHSA-N 1 3 226.751 2.474 20 0 BEADHO Cc1cc(C[NH2+][C@H](C)[C@@H](C)N)ccc1Cl ZINC000415024151 386515106 /nfs/dbraw/zinc/51/51/06/386515106.db2.gz YCLTUNZOSPAEDJ-NXEZZACHSA-N 1 3 226.751 2.474 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000415030710 386518806 /nfs/dbraw/zinc/51/88/06/386518806.db2.gz FWWBSKCKDJMUOO-SKDRFNHKSA-N 1 3 240.297 2.182 20 0 BEADHO C[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCCCC1 ZINC000415040130 386526455 /nfs/dbraw/zinc/52/64/55/386526455.db2.gz PUWMFWGYNDSYSC-SPWCGHHHSA-N 1 3 236.403 2.400 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000414786470 386526871 /nfs/dbraw/zinc/52/68/71/386526871.db2.gz BHBPFGFGMCGDCL-HUUCEWRRSA-N 1 3 232.371 2.117 20 0 BEADHO C[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000094339088 386458019 /nfs/dbraw/zinc/45/80/19/386458019.db2.gz NLMVPNGWBMQFEC-IPYPFGDCSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000094339088 386458027 /nfs/dbraw/zinc/45/80/27/386458027.db2.gz NLMVPNGWBMQFEC-IPYPFGDCSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](N)[C@@H](C)C1)c1ccccc1 ZINC000094339088 386458033 /nfs/dbraw/zinc/45/80/33/386458033.db2.gz NLMVPNGWBMQFEC-IPYPFGDCSA-N 1 3 232.371 2.459 20 0 BEADHO CCSCC[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000336781311 386583457 /nfs/dbraw/zinc/58/34/57/386583457.db2.gz UINJDPPNPLQGJF-ZDUSSCGKSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCCNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000336781311 386583463 /nfs/dbraw/zinc/58/34/63/386583463.db2.gz UINJDPPNPLQGJF-ZDUSSCGKSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCCNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000336781311 386583470 /nfs/dbraw/zinc/58/34/70/386583470.db2.gz UINJDPPNPLQGJF-ZDUSSCGKSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccccn1 ZINC000336644141 386587221 /nfs/dbraw/zinc/58/72/21/386587221.db2.gz BUURXPOQQGXHLM-NEPJUHHUSA-N 1 3 221.348 2.250 20 0 BEADHO Cc1cccc(C)c1CC[NH2+]C[C@@H]1CCCNC1 ZINC000415081590 386592438 /nfs/dbraw/zinc/59/24/38/386592438.db2.gz KKODZDHSCCUDNY-OAHLLOKOSA-N 1 3 246.398 2.435 20 0 BEADHO Cc1cccc(C)c1CCNC[C@@H]1CCC[NH2+]C1 ZINC000415081590 386592444 /nfs/dbraw/zinc/59/24/44/386592444.db2.gz KKODZDHSCCUDNY-OAHLLOKOSA-N 1 3 246.398 2.435 20 0 BEADHO [NH3+]C[C@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000415045503 386532410 /nfs/dbraw/zinc/53/24/10/386532410.db2.gz UDKVTEREIJTVBJ-JGVFFNPUSA-N 1 3 245.779 2.014 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1cccc2cccnc21 ZINC000414790398 386542145 /nfs/dbraw/zinc/54/21/45/386542145.db2.gz GNNVUUCOMIXUIM-AWEZNQCLSA-N 1 3 243.354 2.308 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+]CCCNC1CC1 ZINC000415064547 386544006 /nfs/dbraw/zinc/54/40/06/386544006.db2.gz CVOAQARYCMUQBO-GFCCVEGCSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]C/C=C\c1ccccc1 ZINC000414791696 386549543 /nfs/dbraw/zinc/54/95/43/386549543.db2.gz IFPGLXGBHHOFRN-PIZKADEWSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@@H]1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000415071007 386554456 /nfs/dbraw/zinc/55/44/56/386554456.db2.gz RZPNTTPNBWRBBY-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CCC(F)(F)F)N[C@H]1CCCC[NH2+]C1 ZINC000415070989 386554773 /nfs/dbraw/zinc/55/47/73/386554773.db2.gz JJHGOIBKIDWTPA-ZJUUUORDSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919806 386564156 /nfs/dbraw/zinc/56/41/56/386564156.db2.gz XUAAOESODCJXIV-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CCSCCNC1CC[NH+](C2CCC2)CC1 ZINC000336756901 386573661 /nfs/dbraw/zinc/57/36/61/386573661.db2.gz HFFHQOSIMKIIAU-UHFFFAOYSA-N 1 3 242.432 2.346 20 0 BEADHO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000415123491 386626759 /nfs/dbraw/zinc/62/67/59/386626759.db2.gz NAAQURRZVSJOMF-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)([NH3+])CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414810539 386630989 /nfs/dbraw/zinc/63/09/89/386630989.db2.gz XOJOXDJEWXYNHB-STQMWFEESA-N 1 3 218.344 2.117 20 0 BEADHO C(C[NH2+]C1CCOCC1)NC1CCCCCC1 ZINC000414815532 386648580 /nfs/dbraw/zinc/64/85/80/386648580.db2.gz UODSNDUWFIKDPI-UHFFFAOYSA-N 1 3 240.391 2.067 20 0 BEADHO CC(C)(N)C[NH2+]Cc1ccc2ncccc2c1 ZINC000414804136 386605922 /nfs/dbraw/zinc/60/59/22/386605922.db2.gz MYSOFVVMOKAURV-UHFFFAOYSA-N 1 3 229.327 2.062 20 0 BEADHO CCCC[C@@H](C[NH3+])N[C@H](COC)CC(C)C ZINC000414805738 386606688 /nfs/dbraw/zinc/60/66/88/386606688.db2.gz AQJXJJGRVVGRJL-STQMWFEESA-N 1 3 230.396 2.155 20 0 BEADHO CC[C@H](N[C@H](C)C[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000415090107 386611232 /nfs/dbraw/zinc/61/12/32/386611232.db2.gz ZYCYCQWUYYYGEV-YIYPIFLZSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414819727 386661642 /nfs/dbraw/zinc/66/16/42/386661642.db2.gz IETCONFINBWLCD-AEJSXWLSSA-N 1 3 238.297 2.434 20 0 BEADHO C[NH2+]C[C@H](C)CNC[C@@H](C)c1ccccc1 ZINC000414830789 386710623 /nfs/dbraw/zinc/71/06/23/386710623.db2.gz CKNKZECGQBOBLQ-QWHCGFSZSA-N 1 3 220.360 2.235 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000414830789 386710631 /nfs/dbraw/zinc/71/06/31/386710631.db2.gz CKNKZECGQBOBLQ-QWHCGFSZSA-N 1 3 220.360 2.235 20 0 BEADHO CN(C)c1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414927724 386710865 /nfs/dbraw/zinc/71/08/65/386710865.db2.gz PGOGHSIOPQRAEY-ZIAGYGMSSA-N 1 3 247.386 2.112 20 0 BEADHO CCc1ccc(C[N@H+](C)C2CCNCC2)cc1 ZINC000049962214 386684419 /nfs/dbraw/zinc/68/44/19/386684419.db2.gz FFWIAIWUTUDQJJ-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1ccc(C[N@@H+](C)C2CCNCC2)cc1 ZINC000049962214 386684423 /nfs/dbraw/zinc/68/44/23/386684423.db2.gz FFWIAIWUTUDQJJ-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC1(C)C)CN1CCCC1 ZINC000336648484 386684570 /nfs/dbraw/zinc/68/45/70/386684570.db2.gz GEHLQYZNHRLLBE-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414825139 386686358 /nfs/dbraw/zinc/68/63/58/386686358.db2.gz SANZXOQVZJTACX-UHTWSYAYSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414828147 386697362 /nfs/dbraw/zinc/69/73/62/386697362.db2.gz ZAYZKKFPVBQLQX-IUCAKERBSA-N 1 3 226.286 2.434 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000414840550 386739026 /nfs/dbraw/zinc/73/90/26/386739026.db2.gz MLJPTCMGYKXLKN-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000335537778 386740819 /nfs/dbraw/zinc/74/08/19/386740819.db2.gz FGWZNHNNXHASTD-CQLXCSJHSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)C1CC(N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000335537778 386740823 /nfs/dbraw/zinc/74/08/23/386740823.db2.gz FGWZNHNNXHASTD-CQLXCSJHSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335484926 386713689 /nfs/dbraw/zinc/71/36/89/386713689.db2.gz XKJHVEIRZDOSIG-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000414833685 386715102 /nfs/dbraw/zinc/71/51/02/386715102.db2.gz GQACPMYDYDOSFD-XQQFMLRXSA-N 1 3 212.381 2.256 20 0 BEADHO CC[NH2+]CCNCC1CCC(C)(C)CC1 ZINC000414832915 386720518 /nfs/dbraw/zinc/72/05/18/386720518.db2.gz RPPYYJHDWGRRND-UHFFFAOYSA-N 1 3 212.381 2.402 20 0 BEADHO C[NH2+]CCN[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414834325 386722513 /nfs/dbraw/zinc/72/25/13/386722513.db2.gz TWMRPRRIXUGWJC-GJZGRUSLSA-N 1 3 232.371 2.207 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000414834269 386723396 /nfs/dbraw/zinc/72/33/96/386723396.db2.gz HFQVSLXUGMIPFA-UONOGXRCSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)CCc1ccccc1 ZINC000414834269 386723401 /nfs/dbraw/zinc/72/34/01/386723401.db2.gz HFQVSLXUGMIPFA-UONOGXRCSA-N 1 3 234.387 2.453 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000414841287 386753658 /nfs/dbraw/zinc/75/36/58/386753658.db2.gz HOBFVCBRHQVGPR-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1 ZINC000414841287 386753666 /nfs/dbraw/zinc/75/36/66/386753666.db2.gz HOBFVCBRHQVGPR-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC(C)(C)C[C@H]1C ZINC000414843092 386757630 /nfs/dbraw/zinc/75/76/30/386757630.db2.gz JJDDOWGXIXYKPD-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000414931423 386761706 /nfs/dbraw/zinc/76/17/06/386761706.db2.gz PZJIBIHRUHKRNL-TUUVXOQKSA-N 1 3 244.382 2.378 20 0 BEADHO CCC(CC)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414842566 386764070 /nfs/dbraw/zinc/76/40/70/386764070.db2.gz BKHOABKXGVYNQH-YPMHNXCESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCCN1 ZINC000414843663 386765880 /nfs/dbraw/zinc/76/58/80/386765880.db2.gz JZQFGBOYUCBCHD-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414843937 386766246 /nfs/dbraw/zinc/76/62/46/386766246.db2.gz KINJMZCTXWBCDU-VHSXEESVSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@H](C[NH3+])N[C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414933767 386791121 /nfs/dbraw/zinc/79/11/21/386791121.db2.gz URZRHEBMPYVICX-XWUBHJNHSA-N 1 3 218.344 2.115 20 0 BEADHO C[C@@H]1CCC[C@@H](CN(C)C2CC([NH3+])C2)C1 ZINC000394999400 386795649 /nfs/dbraw/zinc/79/56/49/386795649.db2.gz FPRYAGIQCFMSNG-OKZRHMCRSA-N 1 3 210.365 2.234 20 0 BEADHO Cc1cc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccn1 ZINC000357681897 386824900 /nfs/dbraw/zinc/82/49/00/386824900.db2.gz JRDPWHRMFBMIRL-KBPBESRZSA-N 1 3 247.386 2.487 20 0 BEADHO Cc1cc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccn1 ZINC000357681898 386823992 /nfs/dbraw/zinc/82/39/92/386823992.db2.gz JRDPWHRMFBMIRL-OKILXGFUSA-N 1 3 247.386 2.487 20 0 BEADHO Cc1cc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccn1 ZINC000357681898 386823993 /nfs/dbraw/zinc/82/39/93/386823993.db2.gz JRDPWHRMFBMIRL-OKILXGFUSA-N 1 3 247.386 2.487 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H](C)CC1CCOCC1 ZINC000414935146 386807667 /nfs/dbraw/zinc/80/76/67/386807667.db2.gz AODNPXWOZNQGCK-CHWSQXEVSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000324224225 386829177 /nfs/dbraw/zinc/82/91/77/386829177.db2.gz FXFZDSNPFXYDOE-AVGNSLFASA-N 1 3 210.365 2.281 20 0 BEADHO C[C@H](C[NH2+][C@H](C)CCc1ccco1)CN(C)C ZINC000293364093 386833348 /nfs/dbraw/zinc/83/33/48/386833348.db2.gz HOELPCQAKDREFK-CHWSQXEVSA-N 1 3 238.375 2.388 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425339403 386838963 /nfs/dbraw/zinc/83/89/63/386838963.db2.gz CMWXOWQZOJUBOP-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[C@H]2SC)C1 ZINC000425339403 386838971 /nfs/dbraw/zinc/83/89/71/386838971.db2.gz CMWXOWQZOJUBOP-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CC[C@H]2SC)C1 ZINC000425339403 386838975 /nfs/dbraw/zinc/83/89/75/386838975.db2.gz CMWXOWQZOJUBOP-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO C[N@H+](CC(C)(C)N)[C@@H]1CCc2ccccc21 ZINC000334834204 386874653 /nfs/dbraw/zinc/87/46/53/386874653.db2.gz MBJHPFYWEPJPIG-CYBMUJFWSA-N 1 3 218.344 2.343 20 0 BEADHO C[N@@H+](CC(C)(C)N)[C@@H]1CCc2ccccc21 ZINC000334834204 386874658 /nfs/dbraw/zinc/87/46/58/386874658.db2.gz MBJHPFYWEPJPIG-CYBMUJFWSA-N 1 3 218.344 2.343 20 0 BEADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000334846799 386894705 /nfs/dbraw/zinc/89/47/05/386894705.db2.gz PXQBLGJZKYSZJF-OLZOCXBDSA-N 1 3 236.334 2.494 20 0 BEADHO Cc1cccc(C[NH2+]C2(C)CCNCC2)c1 ZINC000334842026 386887173 /nfs/dbraw/zinc/88/71/73/386887173.db2.gz IZDLANVBMVLGGP-UHFFFAOYSA-N 1 3 218.344 2.227 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@H]2C)c(C)c1 ZINC000334853615 386904637 /nfs/dbraw/zinc/90/46/37/386904637.db2.gz FAKOIAUYVCNPIO-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]C1CCNCC1 ZINC000334867144 386923695 /nfs/dbraw/zinc/92/36/95/386923695.db2.gz UIHJAGRJHVRBGX-CQSZACIVSA-N 1 3 246.354 2.024 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCNCC1 ZINC000334866410 386924393 /nfs/dbraw/zinc/92/43/93/386924393.db2.gz QDNRLGBWNBHYDY-IAQYHMDHSA-N 1 3 230.355 2.262 20 0 BEADHO c1ccc(CCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000336786238 386991681 /nfs/dbraw/zinc/99/16/81/386991681.db2.gz BLSBULBRIMFOLM-HZPDHXFCSA-N 1 3 244.382 2.161 20 0 BEADHO C[C@H](c1ccccn1)N1CCC([C@H](C)[NH3+])CC1 ZINC000104137730 386999911 /nfs/dbraw/zinc/99/99/11/386999911.db2.gz ODTFPNSIYJQEDM-NWDGAFQWSA-N 1 3 233.359 2.202 20 0 BEADHO COCc1cccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126929874 387074605 /nfs/dbraw/zinc/07/46/05/387074605.db2.gz SABPAEWTOLOIJM-IUODEOHRSA-N 1 3 248.370 2.002 20 0 BEADHO CC[C@@H](COC)[NH2+]CCCN1CCCC[C@H]1C ZINC000246366391 387079947 /nfs/dbraw/zinc/07/99/47/387079947.db2.gz LUMXGLFRGMPURO-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](COC)NCCC[N@@H+]1CCCC[C@H]1C ZINC000246366391 387079949 /nfs/dbraw/zinc/07/99/49/387079949.db2.gz LUMXGLFRGMPURO-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](COC)NCCC[N@H+]1CCCC[C@H]1C ZINC000246366391 387079953 /nfs/dbraw/zinc/07/99/53/387079953.db2.gz LUMXGLFRGMPURO-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCCNc2ccccc21 ZINC000423299540 387130774 /nfs/dbraw/zinc/13/07/74/387130774.db2.gz BUEHPTDVMVUDME-SMDDNHRTSA-N 1 3 233.359 2.118 20 0 BEADHO [NH3+]C[C@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334998253 387089753 /nfs/dbraw/zinc/08/97/53/387089753.db2.gz MXVCDUAJPSKNBP-IAQYHMDHSA-N 1 3 248.345 2.484 20 0 BEADHO [NH3+]C[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334998254 387090607 /nfs/dbraw/zinc/09/06/07/387090607.db2.gz MXVCDUAJPSKNBP-NHYWBVRUSA-N 1 3 248.345 2.484 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335004049 387097741 /nfs/dbraw/zinc/09/77/41/387097741.db2.gz AIELBXVYDMTZMQ-WNYYMSAVSA-N 1 3 246.345 2.398 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335004051 387097921 /nfs/dbraw/zinc/09/79/21/387097921.db2.gz AIELBXVYDMTZMQ-XKGSQUFQSA-N 1 3 246.345 2.398 20 0 BEADHO CC1(F)CC(N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000335004823 387099307 /nfs/dbraw/zinc/09/93/07/387099307.db2.gz GNOOHVCJVUYLLJ-YECOWLKZSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1=CCCCC1 ZINC000335004792 387099479 /nfs/dbraw/zinc/09/94/79/387099479.db2.gz GAXYEUKHVRWNLV-TZMCWYRMSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000335004792 387099484 /nfs/dbraw/zinc/09/94/84/387099484.db2.gz GAXYEUKHVRWNLV-TZMCWYRMSA-N 1 3 222.376 2.465 20 0 BEADHO CSC[C@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000127341858 387100865 /nfs/dbraw/zinc/10/08/65/387100865.db2.gz DJYDSQREWZXZJW-TVYUQYBPSA-N 1 3 236.384 2.472 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2N)s1 ZINC000335007928 387102721 /nfs/dbraw/zinc/10/27/21/387102721.db2.gz BPXFOURJFLNLPS-MNOVXSKESA-N 1 3 210.346 2.026 20 0 BEADHO Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)ccn1 ZINC000335009697 387105526 /nfs/dbraw/zinc/10/55/26/387105526.db2.gz HKLRRMUZZMPIHI-KBPBESRZSA-N 1 3 233.359 2.140 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000335025405 387115741 /nfs/dbraw/zinc/11/57/41/387115741.db2.gz RMDSFCOGNNJQEO-UONOGXRCSA-N 1 3 218.344 2.436 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000335026557 387118151 /nfs/dbraw/zinc/11/81/51/387118151.db2.gz QFHAQNXLLQZBGT-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc(C)n1 ZINC000335029639 387124867 /nfs/dbraw/zinc/12/48/67/387124867.db2.gz OCYOWHVWMSYHOB-LSDHHAIUSA-N 1 3 247.386 2.448 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)C1(CC)CC ZINC000423298652 387129596 /nfs/dbraw/zinc/12/95/96/387129596.db2.gz AMXSXQYWMBMDQH-RWMBFGLXSA-N 1 3 242.407 2.155 20 0 BEADHO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)CN ZINC000423299157 387129622 /nfs/dbraw/zinc/12/96/22/387129622.db2.gz PLIHWRKUJQIUIS-SRVKXCTJSA-N 1 3 200.370 2.386 20 0 BEADHO Cc1csc(CNC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070503305 387067913 /nfs/dbraw/zinc/06/79/13/387067913.db2.gz BNLPELABTYDWGD-WDEREUQCSA-N 1 3 239.388 2.059 20 0 BEADHO COc1cccc([C@@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423343583 387192306 /nfs/dbraw/zinc/19/23/06/387192306.db2.gz MAMDNXIHISJUBB-GFCCVEGCSA-N 1 3 246.354 2.266 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1CNC1 ZINC000423307345 387143365 /nfs/dbraw/zinc/14/33/65/387143365.db2.gz VTFNBDJTMJMKDH-CYZMBNFOSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)C1(C)C ZINC000423311488 387148765 /nfs/dbraw/zinc/14/87/65/387148765.db2.gz UBELJDWFSNBGFQ-YNEHKIRRSA-N 1 3 242.407 2.011 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423311246 387149276 /nfs/dbraw/zinc/14/92/76/387149276.db2.gz BJRMSADHVBMIRR-QMTHXVAHSA-N 1 3 234.343 2.083 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N)C1CC1)CC2 ZINC000423313172 387150577 /nfs/dbraw/zinc/15/05/77/387150577.db2.gz FGKBUYCCJIEJPF-HUUCEWRRSA-N 1 3 246.354 2.009 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423313551 387151297 /nfs/dbraw/zinc/15/12/97/387151297.db2.gz FUROPOUOCKGDCS-GLQYFDAESA-N 1 3 248.370 2.090 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN ZINC000423312775 387151409 /nfs/dbraw/zinc/15/14/09/387151409.db2.gz VSFXWEFRBNKUSP-HIFRSBDPSA-N 1 3 234.387 2.438 20 0 BEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423313550 387151811 /nfs/dbraw/zinc/15/18/11/387151811.db2.gz FUROPOUOCKGDCS-DFBGVHRSSA-N 1 3 248.370 2.090 20 0 BEADHO N[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000423314697 387153305 /nfs/dbraw/zinc/15/33/05/387153305.db2.gz HNQIRAPUHZREKB-ZIAGYGMSSA-N 1 3 234.318 2.140 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1CCCC2(CC2)C1 ZINC000187006226 387153941 /nfs/dbraw/zinc/15/39/41/387153941.db2.gz XNTXCLHTMKNITR-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1CCCC2(CC2)C1 ZINC000187006226 387153946 /nfs/dbraw/zinc/15/39/46/387153946.db2.gz XNTXCLHTMKNITR-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423321639 387165669 /nfs/dbraw/zinc/16/56/69/387165669.db2.gz NGLQUBYRIBYECH-BXUZGUMPSA-N 1 3 218.344 2.383 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(OC)c1 ZINC000423321672 387166253 /nfs/dbraw/zinc/16/62/53/387166253.db2.gz NKKLTVFQNFBEHP-CABCVRRESA-N 1 3 248.370 2.473 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](N)C1CC1 ZINC000423328080 387170737 /nfs/dbraw/zinc/17/07/37/387170737.db2.gz RYAPUJHWTUHDOE-UONOGXRCSA-N 1 3 246.354 2.009 20 0 BEADHO C[C@@H](Cc1ccoc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423330709 387175052 /nfs/dbraw/zinc/17/50/52/387175052.db2.gz GAWBWIARFOCWBV-JSGCOSHPSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423330709 387175055 /nfs/dbraw/zinc/17/50/55/387175055.db2.gz GAWBWIARFOCWBV-JSGCOSHPSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1(C)CC1 ZINC000423334786 387181153 /nfs/dbraw/zinc/18/11/53/387181153.db2.gz RFEFLVCQOOUMRW-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccnc1 ZINC000423337387 387185088 /nfs/dbraw/zinc/18/50/88/387185088.db2.gz YHBCITKATZYZHY-UONOGXRCSA-N 1 3 233.359 2.106 20 0 BEADHO CC(C)n1cc([C@H](C)NCC2=CC[NH2+]CC2)cn1 ZINC000423341815 387190231 /nfs/dbraw/zinc/19/02/31/387190231.db2.gz KJFWUBZPBLYAPH-LBPRGKRZSA-N 1 3 248.374 2.034 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1CNC1 ZINC000423302753 387134994 /nfs/dbraw/zinc/13/49/94/387134994.db2.gz KGZHNATZTNZEQR-OAHLLOKOSA-N 1 3 232.371 2.063 20 0 BEADHO Cc1cccc(C[C@@H]([NH2+]CC2CNC2)C2CC2)c1 ZINC000423303065 387137410 /nfs/dbraw/zinc/13/74/10/387137410.db2.gz KXIQNGHVFXZKRP-MRXNPFEDSA-N 1 3 244.382 2.125 20 0 BEADHO Cc1cccc(C[C@@H](NCC2C[NH2+]C2)C2CC2)c1 ZINC000423303065 387137412 /nfs/dbraw/zinc/13/74/12/387137412.db2.gz KXIQNGHVFXZKRP-MRXNPFEDSA-N 1 3 244.382 2.125 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)[C@H](C)C1CCCCC1 ZINC000423303650 387137516 /nfs/dbraw/zinc/13/75/16/387137516.db2.gz MGFDPMHGXMHCSX-NWDGAFQWSA-N 1 3 224.392 2.400 20 0 BEADHO COC[C@@H](CC(C)C)NCCC[N@H+](C)C(C)C ZINC000359636653 387138276 /nfs/dbraw/zinc/13/82/76/387138276.db2.gz HFUGSZAAFQLKLI-CQSZACIVSA-N 1 3 244.423 2.367 20 0 BEADHO COC[C@@H](CC(C)C)NCCC[N@@H+](C)C(C)C ZINC000359636653 387138280 /nfs/dbraw/zinc/13/82/80/387138280.db2.gz HFUGSZAAFQLKLI-CQSZACIVSA-N 1 3 244.423 2.367 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]CCCN(C)C(C)C ZINC000359636653 387138283 /nfs/dbraw/zinc/13/82/83/387138283.db2.gz HFUGSZAAFQLKLI-CQSZACIVSA-N 1 3 244.423 2.367 20 0 BEADHO CCC[NH2+]CCN[C@H]1CCC[C@H]1CCCF ZINC000423305383 387139119 /nfs/dbraw/zinc/13/91/19/387139119.db2.gz BNFHOWFUXRKNDE-STQMWFEESA-N 1 3 230.371 2.494 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423306035 387141298 /nfs/dbraw/zinc/14/12/98/387141298.db2.gz KYLQNMFTFUPVMA-XQHKEYJVSA-N 1 3 212.381 2.386 20 0 BEADHO Cc1cc([C@H](C)NCC2=CC[NH2+]CC2)oc1C ZINC000423352556 387203243 /nfs/dbraw/zinc/20/32/43/387203243.db2.gz KQEYSYBRSZYRGI-NSHDSACASA-N 1 3 234.343 2.467 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCC12CCC2 ZINC000423361374 387213360 /nfs/dbraw/zinc/21/33/60/387213360.db2.gz RWGGKIVRVIVTCS-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)CCN1 ZINC000423367300 387218733 /nfs/dbraw/zinc/21/87/33/387218733.db2.gz ADJVCKYKFPPFDF-IJLUTSLNSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CC1(C)C ZINC000423368972 387222040 /nfs/dbraw/zinc/22/20/40/387222040.db2.gz BMMPSGBDYIQTDR-DDHJBXDOSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@@H]([NH2+]CC1(N)CCC1)c1cccnc1 ZINC000423325771 387230350 /nfs/dbraw/zinc/23/03/50/387230350.db2.gz LQXZUGDZWVQEMD-CYBMUJFWSA-N 1 3 233.359 2.250 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000423401439 387238093 /nfs/dbraw/zinc/23/80/93/387238093.db2.gz QWJJZTKNHPDGRI-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000423407839 387244644 /nfs/dbraw/zinc/24/46/44/387244644.db2.gz WKQCSZSYFLWSON-RVMXOQNASA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000423462643 387310386 /nfs/dbraw/zinc/31/03/86/387310386.db2.gz KXURSSDJWFTFHS-BXUZGUMPSA-N 1 3 218.344 2.309 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423462128 387311177 /nfs/dbraw/zinc/31/11/77/387311177.db2.gz KIMSETGGRHHCOF-OCCSQVGLSA-N 1 3 236.359 2.473 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423470282 387316267 /nfs/dbraw/zinc/31/62/67/387316267.db2.gz PCXPBYWFTKZUHK-RISCZKNCSA-N 1 3 233.359 2.260 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H](C)CCCc1cccnc1 ZINC000423378383 387259922 /nfs/dbraw/zinc/25/99/22/387259922.db2.gz FUUWYCKSNWVUGA-ZIAGYGMSSA-N 1 3 249.402 2.380 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)[C@@H]1C[C@H]1C ZINC000423385679 387268288 /nfs/dbraw/zinc/26/82/88/387268288.db2.gz GWVAJBVJNOEYNW-RXGFPQBGSA-N 1 3 210.365 2.009 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]1C1CCC1 ZINC000423389493 387273254 /nfs/dbraw/zinc/27/32/54/387273254.db2.gz NNNOYCCHXCYISV-KGYLQXTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CCN1 ZINC000423388098 387273354 /nfs/dbraw/zinc/27/33/54/387273354.db2.gz SYHSYSLOHDTQTQ-ZZVYKPCYSA-N 1 3 222.376 2.295 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@@H]1C1CCC1 ZINC000423389495 387274235 /nfs/dbraw/zinc/27/42/35/387274235.db2.gz NNNOYCCHXCYISV-RTXFEEFZSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCCN[C@@H](C)Cc1cccs1 ZINC000643498927 387278534 /nfs/dbraw/zinc/27/85/34/387278534.db2.gz XFFKPSCWLCAUMH-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCNc2ccccc21)[C@H](C)N ZINC000423431792 387283409 /nfs/dbraw/zinc/28/34/09/387283409.db2.gz AYKRRPMFIHKPEY-WDMOLILDSA-N 1 3 233.359 2.259 20 0 BEADHO CC(C)C[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423432055 387283436 /nfs/dbraw/zinc/28/34/36/387283436.db2.gz MERDAOSYTPYSBR-BTFPBAQTSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H](C)N ZINC000423440290 387290075 /nfs/dbraw/zinc/29/00/75/387290075.db2.gz IKHGBIBZKSTULI-IGJMFERPSA-N 1 3 222.307 2.138 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423440097 387290372 /nfs/dbraw/zinc/29/03/72/387290372.db2.gz AMSRVYMJWWJWCG-NWDGAFQWSA-N 1 3 236.359 2.392 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1(CC)CC ZINC000423439757 387290864 /nfs/dbraw/zinc/29/08/64/387290864.db2.gz IBNYYBBHXIOYHV-MROQNXINSA-N 1 3 242.407 2.296 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H](C)N ZINC000423444332 387295358 /nfs/dbraw/zinc/29/53/58/387295358.db2.gz LQJNOSZLFLLFDU-KWBADKCTSA-N 1 3 234.343 2.008 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)CCCN2 ZINC000423450095 387298696 /nfs/dbraw/zinc/29/86/96/387298696.db2.gz SICRYUSBUFDWOL-NEPJUHHUSA-N 1 3 247.386 2.260 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423449779 387299479 /nfs/dbraw/zinc/29/94/79/387299479.db2.gz SCJIYQINXSYXAH-WOPDTQHZSA-N 1 3 235.375 2.139 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423454981 387301482 /nfs/dbraw/zinc/30/14/82/387301482.db2.gz ZUPAQJOWVOIVBL-VWYCJHECSA-N 1 3 234.343 2.103 20 0 BEADHO CC(C)CC[C@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423453868 387302269 /nfs/dbraw/zinc/30/22/69/387302269.db2.gz LALHRSUBNQKBOE-XPABHHOTSA-N 1 3 236.403 2.399 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423455204 387302395 /nfs/dbraw/zinc/30/23/95/387302395.db2.gz BZYPJYJNCHXJMG-GXFFZTMASA-N 1 3 234.343 2.009 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000423456201 387303252 /nfs/dbraw/zinc/30/32/52/387303252.db2.gz DKMGQTHAUHBFPO-OCCSQVGLSA-N 1 3 218.344 2.391 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1sccc1C ZINC000423456867 387304660 /nfs/dbraw/zinc/30/46/60/387304660.db2.gz DVHRYAXNBAMWHE-NXEZZACHSA-N 1 3 212.362 2.444 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c(C)c1 ZINC000423480608 387360542 /nfs/dbraw/zinc/36/05/42/387360542.db2.gz WHERPHHILWSSGO-SRVKXCTJSA-N 1 3 236.359 2.390 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C2CCCC2)CC1 ZINC000336541590 387364062 /nfs/dbraw/zinc/36/40/62/387364062.db2.gz BIGVRUNQJFCVLB-GFCCVEGCSA-N 1 3 210.365 2.345 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C2CCCC2)CC1 ZINC000336541590 387364068 /nfs/dbraw/zinc/36/40/68/387364068.db2.gz BIGVRUNQJFCVLB-GFCCVEGCSA-N 1 3 210.365 2.345 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423481616 387364306 /nfs/dbraw/zinc/36/43/06/387364306.db2.gz XAEABDCCFHBTPM-AVGNSLFASA-N 1 3 242.407 2.153 20 0 BEADHO C(N[C@@H]1CCC12CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502545 387365259 /nfs/dbraw/zinc/36/52/59/387365259.db2.gz JTSRJYQNRHCKLN-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO C(N[C@@H]1CCC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000643502543 387365729 /nfs/dbraw/zinc/36/57/29/387365729.db2.gz JTSRJYQNRHCKLN-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CCC12CCC2 ZINC000423545929 387370285 /nfs/dbraw/zinc/37/02/85/387370285.db2.gz FDVMWWBIUFHZMO-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CCO1 ZINC000423547642 387371312 /nfs/dbraw/zinc/37/13/12/387371312.db2.gz LOLMCLJUFKXLDE-AAVRWANBSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423479960 387327987 /nfs/dbraw/zinc/32/79/87/387327987.db2.gz VSEXVUSBGSKFOY-MJVIPROJSA-N 1 3 233.359 2.248 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423482998 387329154 /nfs/dbraw/zinc/32/91/54/387329154.db2.gz XRJJVWWKBFEQDD-QMTHXVAHSA-N 1 3 234.343 2.105 20 0 BEADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC)C12CCCC2 ZINC000423485996 387330888 /nfs/dbraw/zinc/33/08/88/387330888.db2.gz ZIJBLYSXNPDVBZ-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423485981 387331478 /nfs/dbraw/zinc/33/14/78/387331478.db2.gz ZHVRTQDBTBORJI-STQMWFEESA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423491531 387336916 /nfs/dbraw/zinc/33/69/16/387336916.db2.gz ZINZNJSQJBQWPT-RYUDHWBXSA-N 1 3 222.332 2.462 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1C[C@H]1C ZINC000321989879 387344730 /nfs/dbraw/zinc/34/47/30/387344730.db2.gz DWWGNUCUHUVTGH-AGIUHOORSA-N 1 3 212.381 2.351 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CCCN1 ZINC000400639242 387348406 /nfs/dbraw/zinc/34/84/06/387348406.db2.gz NPTFXRSKFJPSGI-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO CCN(CC)CCC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361413975 387456645 /nfs/dbraw/zinc/45/66/45/387456645.db2.gz GLPUJJRNQYUONO-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361413975 387456649 /nfs/dbraw/zinc/45/66/49/387456649.db2.gz GLPUJJRNQYUONO-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@]1(NCC[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000352825409 387530859 /nfs/dbraw/zinc/53/08/59/387530859.db2.gz PTUQUYODFHCMCR-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[C@]1(NCC[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000352825409 387530862 /nfs/dbraw/zinc/53/08/62/387530862.db2.gz PTUQUYODFHCMCR-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO FC(F)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355148939 387488162 /nfs/dbraw/zinc/48/81/62/387488162.db2.gz JMOWRYRDJZXRSA-WDEREUQCSA-N 1 3 244.329 2.248 20 0 BEADHO FC(F)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355148939 387488164 /nfs/dbraw/zinc/48/81/64/387488164.db2.gz JMOWRYRDJZXRSA-WDEREUQCSA-N 1 3 244.329 2.248 20 0 BEADHO CC(C)NCCC[NH2+][C@@H](C)C(C)(C)C ZINC000643508276 387489136 /nfs/dbraw/zinc/48/91/36/387489136.db2.gz AIFBPGXCKNWTPY-NSHDSACASA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H](C[NH2+]Cc1cccc(F)c1)CN(C)C ZINC000291677669 387580452 /nfs/dbraw/zinc/58/04/52/387580452.db2.gz HHJDYMHNGCOBJU-LLVKDONJSA-N 1 3 224.323 2.113 20 0 BEADHO CC[C@@H](C[NH2+][C@H](C)C1CNC1)c1ccccc1 ZINC000422716451 387628478 /nfs/dbraw/zinc/62/84/78/387628478.db2.gz NEFLZPJNLFSJNR-OLZOCXBDSA-N 1 3 232.371 2.378 20 0 BEADHO CC[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422716451 387628482 /nfs/dbraw/zinc/62/84/82/387628482.db2.gz NEFLZPJNLFSJNR-OLZOCXBDSA-N 1 3 232.371 2.378 20 0 BEADHO CCN1CC[C@H]([N@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511459 387590727 /nfs/dbraw/zinc/59/07/27/387590727.db2.gz RUJOHUIZRCQTFU-NEPJUHHUSA-N 1 3 228.355 2.151 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)CC2(F)CC2)[C@H](C)C1 ZINC000527511459 387590730 /nfs/dbraw/zinc/59/07/30/387590730.db2.gz RUJOHUIZRCQTFU-NEPJUHHUSA-N 1 3 228.355 2.151 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511460 387591098 /nfs/dbraw/zinc/59/10/98/387591098.db2.gz RUJOHUIZRCQTFU-NWDGAFQWSA-N 1 3 228.355 2.151 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511460 387591100 /nfs/dbraw/zinc/59/11/00/387591100.db2.gz RUJOHUIZRCQTFU-NWDGAFQWSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643514875 387599936 /nfs/dbraw/zinc/59/99/36/387599936.db2.gz AAMLCFNWNFZBEO-DOMZBBRYSA-N 1 3 232.371 2.118 20 0 BEADHO C[C@@H]1C[C@@H](C)N(Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000422641331 387611179 /nfs/dbraw/zinc/61/11/79/387611179.db2.gz XQUJCNFXBUZMJN-BZPMIXESSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(N)c2)C[C@@H]1CN ZINC000422641331 387611184 /nfs/dbraw/zinc/61/11/84/387611184.db2.gz XQUJCNFXBUZMJN-BZPMIXESSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(N)c2)C[C@@H]1CN ZINC000422641331 387611190 /nfs/dbraw/zinc/61/11/90/387611190.db2.gz XQUJCNFXBUZMJN-BZPMIXESSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1c(F)cccc1F ZINC000422692612 387613781 /nfs/dbraw/zinc/61/37/81/387613781.db2.gz KLHXHAFAZMADKS-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000422701916 387619070 /nfs/dbraw/zinc/61/90/70/387619070.db2.gz JKRUDGOAADDBFC-JFGNBEQYSA-N 1 3 233.359 2.155 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C1CNC1 ZINC000422707165 387620756 /nfs/dbraw/zinc/62/07/56/387620756.db2.gz VUZMJWPHNPWNBX-UTUOFQBUSA-N 1 3 210.365 2.010 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CCCCF)CC1 ZINC000375652372 387563461 /nfs/dbraw/zinc/56/34/61/387563461.db2.gz KZHSLTWDCSCNLL-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CCCCF)CC1 ZINC000375652372 387563468 /nfs/dbraw/zinc/56/34/68/387563468.db2.gz KZHSLTWDCSCNLL-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO C[NH+](C)[C@@H]1CCCN(CCCCF)CC1 ZINC000375652372 387563473 /nfs/dbraw/zinc/56/34/73/387563473.db2.gz KZHSLTWDCSCNLL-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000430645219 387635445 /nfs/dbraw/zinc/63/54/45/387635445.db2.gz ZXQDHWKMEKRDTP-OLZOCXBDSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)OCCC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000430645219 387635449 /nfs/dbraw/zinc/63/54/49/387635449.db2.gz ZXQDHWKMEKRDTP-OLZOCXBDSA-N 1 3 228.380 2.003 20 0 BEADHO C[C@@H](NCCc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422729454 387637497 /nfs/dbraw/zinc/63/74/97/387637497.db2.gz IBZDSKNCMPEGGQ-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)C1CNC1 ZINC000422729454 387637500 /nfs/dbraw/zinc/63/75/00/387637500.db2.gz IBZDSKNCMPEGGQ-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422728321 387637862 /nfs/dbraw/zinc/63/78/62/387637862.db2.gz JBKUIRDBPRBAFK-VXGBXAGGSA-N 1 3 212.381 2.399 20 0 BEADHO CCCCOCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422729953 387638516 /nfs/dbraw/zinc/63/85/16/387638516.db2.gz LQJZSTSWDZOCRX-KGLIPLIRSA-N 1 3 242.407 2.171 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1ccccc1 ZINC000422732239 387640810 /nfs/dbraw/zinc/64/08/10/387640810.db2.gz NOYPWQICDQRDED-KGLIPLIRSA-N 1 3 218.344 2.089 20 0 BEADHO Fc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422734562 387642956 /nfs/dbraw/zinc/64/29/56/387642956.db2.gz SQQZXBSDQFZOAD-YIONKMFJSA-N 1 3 248.345 2.241 20 0 BEADHO CO[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422738674 387645945 /nfs/dbraw/zinc/64/59/45/387645945.db2.gz JSLIVWWHKWPRQL-SOUVJXGZSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccc(F)cc1 ZINC000422745701 387648191 /nfs/dbraw/zinc/64/81/91/387648191.db2.gz VMTWEMUZNAIOBG-QWRGUYRKSA-N 1 3 236.334 2.127 20 0 BEADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422745701 387648195 /nfs/dbraw/zinc/64/81/95/387648195.db2.gz VMTWEMUZNAIOBG-QWRGUYRKSA-N 1 3 236.334 2.127 20 0 BEADHO CCCC[C@H](CC)C[NH2+][C@H](C)C1CNC1 ZINC000422741441 387648848 /nfs/dbraw/zinc/64/88/48/387648848.db2.gz DRHQUVFSAKHYDU-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccccc1C[C@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000422746495 387650104 /nfs/dbraw/zinc/65/01/04/387650104.db2.gz WQWNPQJRPCZTOK-QWHCGFSZSA-N 1 3 232.371 2.124 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422746495 387650110 /nfs/dbraw/zinc/65/01/10/387650110.db2.gz WQWNPQJRPCZTOK-QWHCGFSZSA-N 1 3 232.371 2.124 20 0 BEADHO C[C@H](NCCc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422752221 387656959 /nfs/dbraw/zinc/65/69/59/387656959.db2.gz BAGUWRHZEBMRIM-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO C[C@H]([NH2+]CCc1cccc(Cl)c1)C1CNC1 ZINC000422752221 387656964 /nfs/dbraw/zinc/65/69/64/387656964.db2.gz BAGUWRHZEBMRIM-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1C ZINC000422753125 387658699 /nfs/dbraw/zinc/65/86/99/387658699.db2.gz DQGKNGBSBMZICD-RYUDHWBXSA-N 1 3 236.359 2.219 20 0 BEADHO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C1CNC1 ZINC000422760532 387662751 /nfs/dbraw/zinc/66/27/51/387662751.db2.gz QFYSLEAESZJTTH-MNOVXSKESA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422759479 387664219 /nfs/dbraw/zinc/66/42/19/387664219.db2.gz PGHQQDXYZSLXCJ-YWPYICTPSA-N 1 3 232.371 2.259 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422765728 387665970 /nfs/dbraw/zinc/66/59/70/387665970.db2.gz LAQWPUKYGSZISK-KGLIPLIRSA-N 1 3 248.345 2.327 20 0 BEADHO Cc1ccc([C@H](C)C[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422773345 387670342 /nfs/dbraw/zinc/67/03/42/387670342.db2.gz YKPQAGRMKXDCFB-OLZOCXBDSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1ccc([C@H](C)CN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422773345 387670348 /nfs/dbraw/zinc/67/03/48/387670348.db2.gz YKPQAGRMKXDCFB-OLZOCXBDSA-N 1 3 232.371 2.296 20 0 BEADHO COc1ccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422777274 387674387 /nfs/dbraw/zinc/67/43/87/387674387.db2.gz FGIVLPMDBJETIX-UTUOFQBUSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])Cc1cccs1 ZINC000422778284 387675227 /nfs/dbraw/zinc/67/52/27/387675227.db2.gz HGSVYTCMAQAQMB-DRZSPHRISA-N 1 3 238.400 2.396 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])Cc1cccs1 ZINC000422778286 387675280 /nfs/dbraw/zinc/67/52/80/387675280.db2.gz HGSVYTCMAQAQMB-WCFLWFBJSA-N 1 3 238.400 2.396 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc(F)c1 ZINC000422777930 387676066 /nfs/dbraw/zinc/67/60/66/387676066.db2.gz CYCJGSFJIZWGLO-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc(F)c1 ZINC000422777930 387676070 /nfs/dbraw/zinc/67/60/70/387676070.db2.gz CYCJGSFJIZWGLO-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2cccnc21 ZINC000422781214 387680007 /nfs/dbraw/zinc/68/00/07/387680007.db2.gz LDUSBSMSUQJFKN-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccncc1 ZINC000422782377 387681374 /nfs/dbraw/zinc/68/13/74/387681374.db2.gz LWIVASRYAJXYJD-GVXVVHGQSA-N 1 3 221.348 2.248 20 0 BEADHO C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1 ZINC000422792376 387692689 /nfs/dbraw/zinc/69/26/89/387692689.db2.gz DQEKDOYOTGQRDT-DGAVXFQQSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422790315 387693536 /nfs/dbraw/zinc/69/35/36/387693536.db2.gz XOWPPFYMDQJVOE-KGLIPLIRSA-N 1 3 242.407 2.027 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526158 387749048 /nfs/dbraw/zinc/74/90/48/387749048.db2.gz RAABQHOYDVTECX-WDEREUQCSA-N 1 3 222.332 2.083 20 0 BEADHO CCc1noc(CC)c1CN[C@@H](C)CCC[NH3+] ZINC000422869727 387749181 /nfs/dbraw/zinc/74/91/81/387749181.db2.gz WUQACNLXSAQUNG-JTQLQIEISA-N 1 3 239.363 2.016 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)s1 ZINC000422870627 387750821 /nfs/dbraw/zinc/75/08/21/387750821.db2.gz ZCRMOGZJYNSZNN-VXGBXAGGSA-N 1 3 224.373 2.280 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccsc1 ZINC000422802479 387702288 /nfs/dbraw/zinc/70/22/88/387702288.db2.gz DGMNSKFLPDEROK-WCQYABFASA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccsc1 ZINC000422802479 387702296 /nfs/dbraw/zinc/70/22/96/387702296.db2.gz DGMNSKFLPDEROK-WCQYABFASA-N 1 3 238.400 2.268 20 0 BEADHO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422810920 387709564 /nfs/dbraw/zinc/70/95/64/387709564.db2.gz SMOBHGQAPZPHBP-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO CC(C)CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422812912 387712134 /nfs/dbraw/zinc/71/21/34/387712134.db2.gz YIOYZIYDPVJBBU-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422812162 387712524 /nfs/dbraw/zinc/71/25/24/387712524.db2.gz QBMLRZBXOLTTSF-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1cc(F)ccc1F ZINC000422819856 387717677 /nfs/dbraw/zinc/71/76/77/387717677.db2.gz JCSJIGZPZIAJMX-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cc(F)ccc1F ZINC000422819856 387717681 /nfs/dbraw/zinc/71/76/81/387717681.db2.gz JCSJIGZPZIAJMX-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO Cc1cc(C)cc(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000038076855 177900423 /nfs/dbraw/zinc/90/04/23/177900423.db2.gz DKLFHWFQAIVQTC-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000050245548 177900088 /nfs/dbraw/zinc/90/00/88/177900088.db2.gz CWSAHOCOKYKJDB-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO CCOCc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422831968 387726621 /nfs/dbraw/zinc/72/66/21/387726621.db2.gz KMIMRVWONRHEPA-CABCVRRESA-N 1 3 248.370 2.193 20 0 BEADHO Cc1cccc(CNCCC[NH+]2CCC2)c1 ZINC000309432077 387729170 /nfs/dbraw/zinc/72/91/70/387729170.db2.gz ACXDQKGQFBDBCG-UHFFFAOYSA-N 1 3 218.344 2.180 20 0 BEADHO Cc1ccccc1C(C)(C)CN[C@H](C)C1C[NH2+]C1 ZINC000422857274 387740718 /nfs/dbraw/zinc/74/07/18/387740718.db2.gz GPYQZLMPPLBULJ-CYBMUJFWSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1ccccc1C(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000422857274 387740723 /nfs/dbraw/zinc/74/07/23/387740723.db2.gz GPYQZLMPPLBULJ-CYBMUJFWSA-N 1 3 246.398 2.470 20 0 BEADHO C[C@H](CCc1ccsc1)NC[C@H](C)[NH3+] ZINC000643527936 387765764 /nfs/dbraw/zinc/76/57/64/387765764.db2.gz VULBDYDQUYAISJ-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO CC(C)C1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC000422895403 387766326 /nfs/dbraw/zinc/76/63/26/387766326.db2.gz VWMAVIHSRKZVFO-LKSINWNRSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccsc1 ZINC000643527934 387766742 /nfs/dbraw/zinc/76/67/42/387766742.db2.gz VULBDYDQUYAISJ-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422904441 387767733 /nfs/dbraw/zinc/76/77/33/387767733.db2.gz PYLOCCUTFQRFSC-MQYQWHSLSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CNC1 ZINC000422914463 387771675 /nfs/dbraw/zinc/77/16/75/387771675.db2.gz UHVSOIBVGFFPLC-LRDDRELGSA-N 1 3 244.382 2.205 20 0 BEADHO Cc1ccc(CC[C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643528748 387773108 /nfs/dbraw/zinc/77/31/08/387773108.db2.gz ODQCLZJQHWOEKI-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000422919586 387775684 /nfs/dbraw/zinc/77/56/84/387775684.db2.gz KCFFSQCVIZGKFF-RKDXNWHRSA-N 1 3 224.270 2.188 20 0 BEADHO CCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422920241 387775719 /nfs/dbraw/zinc/77/57/19/387775719.db2.gz MAIUUYBMRLOAAM-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422920242 387776226 /nfs/dbraw/zinc/77/62/26/387776226.db2.gz MAIUUYBMRLOAAM-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000422922024 387777468 /nfs/dbraw/zinc/77/74/68/387777468.db2.gz PLIGPVUQYCPUPH-LEWSCRJBSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)C1CNC1 ZINC000422922024 387777472 /nfs/dbraw/zinc/77/74/72/387777472.db2.gz PLIGPVUQYCPUPH-LEWSCRJBSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)C[C@H](C)N ZINC000422922010 387777854 /nfs/dbraw/zinc/77/78/54/387777854.db2.gz RPDWTFKZEJJSEC-XUXIUFHCSA-N 1 3 242.407 2.153 20 0 BEADHO COc1ccc([C@H](C)[C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643529433 387777990 /nfs/dbraw/zinc/77/79/90/387777990.db2.gz ZRUFPEVGTFDJDB-TUAOUCFPSA-N 1 3 236.359 2.124 20 0 BEADHO Cc1cccc(OCCN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422927844 387778856 /nfs/dbraw/zinc/77/88/56/387778856.db2.gz HIFDBGHWULVIKX-STQMWFEESA-N 1 3 236.359 2.089 20 0 BEADHO COc1ccc(CN[C@H](C)CCC[NH3+])c(F)c1 ZINC000422927950 387779863 /nfs/dbraw/zinc/77/98/63/387779863.db2.gz HXULMDIBQWZVHF-SNVBAGLBSA-N 1 3 240.322 2.051 20 0 BEADHO Cc1cccc(OCCN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422927842 387780212 /nfs/dbraw/zinc/78/02/12/387780212.db2.gz HIFDBGHWULVIKX-OLZOCXBDSA-N 1 3 236.359 2.089 20 0 BEADHO Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422944358 387786085 /nfs/dbraw/zinc/78/60/85/387786085.db2.gz MBRHIDDFTPBZSP-HUUCEWRRSA-N 1 3 248.370 2.152 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422979582 387791956 /nfs/dbraw/zinc/79/19/56/387791956.db2.gz NCZCGHVRXHWHTB-UXIGCNINSA-N 1 3 248.370 2.040 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422983809 387793937 /nfs/dbraw/zinc/79/39/37/387793937.db2.gz VDCNUTOGDNGUQD-CABCVRRESA-N 1 3 232.371 2.255 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000422983693 387794549 /nfs/dbraw/zinc/79/45/49/387794549.db2.gz UOAOYCHECGCDAX-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422983693 387794551 /nfs/dbraw/zinc/79/45/51/387794551.db2.gz UOAOYCHECGCDAX-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCC(F)(F)C1 ZINC000422985919 387795848 /nfs/dbraw/zinc/79/58/48/387795848.db2.gz BAJLYLBUKMCFSZ-IVZWLZJFSA-N 1 3 220.307 2.280 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(O)cc1 ZINC000422990781 387800525 /nfs/dbraw/zinc/80/05/25/387800525.db2.gz NYTZLLBGKBDPKG-HUUCEWRRSA-N 1 3 248.370 2.184 20 0 BEADHO CCC(CC)[C@H](CC[NH2+][C@H](C)C1CNC1)OC ZINC000422995565 387802015 /nfs/dbraw/zinc/80/20/15/387802015.db2.gz KJJJPETUQVBIJO-RISCZKNCSA-N 1 3 242.407 2.025 20 0 BEADHO CCC(CC)[C@H](CCN[C@H](C)C1C[NH2+]C1)OC ZINC000422995565 387802018 /nfs/dbraw/zinc/80/20/18/387802018.db2.gz KJJJPETUQVBIJO-RISCZKNCSA-N 1 3 242.407 2.025 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422995787 387803038 /nfs/dbraw/zinc/80/30/38/387803038.db2.gz ZEUSMBDFXHKKBQ-AXFHLTTASA-N 1 3 232.318 2.281 20 0 BEADHO COc1cc(C)cc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423001383 387805663 /nfs/dbraw/zinc/80/56/63/387805663.db2.gz IBGOSYUQRCLNAX-UKRRQHHQSA-N 1 3 248.370 2.221 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000422954359 387809123 /nfs/dbraw/zinc/80/91/23/387809123.db2.gz IJTQIKNFZXAKBJ-GRYCIOLGSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](NC[C@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422954775 387809343 /nfs/dbraw/zinc/80/93/43/387809343.db2.gz JQHZTZLVKPOQFY-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](NC[C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422954595 387809516 /nfs/dbraw/zinc/80/95/16/387809516.db2.gz JGGUCRXLEQXDSP-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1CCCN1 ZINC000422954595 387809519 /nfs/dbraw/zinc/80/95/19/387809519.db2.gz JGGUCRXLEQXDSP-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO CCOc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422882722 387758314 /nfs/dbraw/zinc/75/83/14/387758314.db2.gz SUUZKDWFRSFKIK-NWDGAFQWSA-N 1 3 236.359 2.301 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000643526733 387759596 /nfs/dbraw/zinc/75/95/96/387759596.db2.gz FQEZWUVPXFOSJF-IACUBPJLSA-N 1 3 218.344 2.260 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000643526732 387759884 /nfs/dbraw/zinc/75/98/84/387759884.db2.gz FQEZWUVPXFOSJF-FPMFFAJLSA-N 1 3 218.344 2.260 20 0 BEADHO COc1cccc2c1CC[C@@H]2N[C@H](C)C[C@H](C)[NH3+] ZINC000422888912 387761252 /nfs/dbraw/zinc/76/12/52/387761252.db2.gz OGVQRTPEQZTOCX-WDMOLILDSA-N 1 3 248.370 2.398 20 0 BEADHO C[C@@H](NC[C@@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000422972945 387820528 /nfs/dbraw/zinc/82/05/28/387820528.db2.gz NDNOJVJOBZDDPZ-MGPQQGTHSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@H](NC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422974823 387823887 /nfs/dbraw/zinc/82/38/87/387823887.db2.gz RTZNDSAXOYMLDI-RDBSUJKOSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422974823 387823890 /nfs/dbraw/zinc/82/38/90/387823890.db2.gz RTZNDSAXOYMLDI-RDBSUJKOSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000423007238 387828209 /nfs/dbraw/zinc/82/82/09/387828209.db2.gz XDHHXSSSFNDMMH-MNXVOIDGSA-N 1 3 248.370 2.267 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000423007238 387828215 /nfs/dbraw/zinc/82/82/15/387828215.db2.gz XDHHXSSSFNDMMH-MNXVOIDGSA-N 1 3 248.370 2.267 20 0 BEADHO CCCC[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000442722566 387829030 /nfs/dbraw/zinc/82/90/30/387829030.db2.gz XQEBQPKIZJUNTH-GXFFZTMASA-N 1 3 249.358 2.162 20 0 BEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1COc2ccccc21 ZINC000423007237 387829591 /nfs/dbraw/zinc/82/95/91/387829591.db2.gz XDHHXSSSFNDMMH-FMSGJZPZSA-N 1 3 248.370 2.267 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)[C@@H]1COc2ccccc21 ZINC000423007237 387829592 /nfs/dbraw/zinc/82/95/92/387829592.db2.gz XDHHXSSSFNDMMH-FMSGJZPZSA-N 1 3 248.370 2.267 20 0 BEADHO CC(C)CSCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423008443 387831375 /nfs/dbraw/zinc/83/13/75/387831375.db2.gz AHKPTVBBXWRHSU-CHWSQXEVSA-N 1 3 244.448 2.353 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423008443 387831380 /nfs/dbraw/zinc/83/13/80/387831380.db2.gz AHKPTVBBXWRHSU-CHWSQXEVSA-N 1 3 244.448 2.353 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000423008229 387831475 /nfs/dbraw/zinc/83/14/75/387831475.db2.gz ZLFBRUZMVDURIG-GHMZBOCLSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H](CSC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423011172 387833160 /nfs/dbraw/zinc/83/31/60/387833160.db2.gz ANQLXGUWVUZOLJ-YIBTVLSRSA-N 1 3 228.405 2.001 20 0 BEADHO CC(C)CSCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423009564 387834155 /nfs/dbraw/zinc/83/41/55/387834155.db2.gz DJALZZCDZUMZMM-STQMWFEESA-N 1 3 244.448 2.353 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC12CCC(CC1)C2 ZINC000423013659 387836000 /nfs/dbraw/zinc/83/60/00/387836000.db2.gz NECBQBBCEUAYRY-ZFDZMSFRSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1(C)CC1)CN1CCCC1 ZINC000062078309 387849495 /nfs/dbraw/zinc/84/94/95/387849495.db2.gz QKXHHRZJTHTSHS-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000423075243 387874086 /nfs/dbraw/zinc/87/40/86/387874086.db2.gz OCHLOTDDMFBMHK-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO Cc1csc([C@H](C)CN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423039550 387854056 /nfs/dbraw/zinc/85/40/56/387854056.db2.gz QUVXAFZXXVNLNE-BBBLOLIVSA-N 1 3 241.404 2.270 20 0 BEADHO Cc1csc([C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N)n1 ZINC000423039550 387854060 /nfs/dbraw/zinc/85/40/60/387854060.db2.gz QUVXAFZXXVNLNE-BBBLOLIVSA-N 1 3 241.404 2.270 20 0 BEADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000423044091 387855709 /nfs/dbraw/zinc/85/57/09/387855709.db2.gz ATBZJUWYILMDHJ-FVCCEPFGSA-N 1 3 240.391 2.048 20 0 BEADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000423046268 387857281 /nfs/dbraw/zinc/85/72/81/387857281.db2.gz TUQKOTXIRCUDFT-IGQOVBAYSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@H]([NH2+]CCC1=CCCCCC1)C1CNC1 ZINC000423048577 387858686 /nfs/dbraw/zinc/85/86/86/387858686.db2.gz IROQQMVDCJIBCU-LBPRGKRZSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccncc1 ZINC000643460299 387874344 /nfs/dbraw/zinc/87/43/44/387874344.db2.gz NDMCWUSBDJAMGC-UMVBOHGHSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc(O)c1 ZINC000643534944 387861168 /nfs/dbraw/zinc/86/11/68/387861168.db2.gz GEFTZIXJRFRUBN-FZMZJTMJSA-N 1 3 246.354 2.185 20 0 BEADHO c1cc2c(o1)CCC[C@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643535589 387864031 /nfs/dbraw/zinc/86/40/31/387864031.db2.gz NJEMWYNBWLKPQT-OCCSQVGLSA-N 1 3 246.354 2.389 20 0 BEADHO Cc1ccncc1[C@H](C)N[C@@H]1CC12CC[NH2+]CC2 ZINC000643535591 387864375 /nfs/dbraw/zinc/86/43/75/387864375.db2.gz NOXWAVTVWGQRSE-GXTWGEPZSA-N 1 3 245.370 2.183 20 0 BEADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423057710 387864912 /nfs/dbraw/zinc/86/49/12/387864912.db2.gz ZSFJTIPKNCSAOB-WRAVZFSGSA-N 1 3 246.354 2.048 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423061218 387865559 /nfs/dbraw/zinc/86/55/59/387865559.db2.gz KFOXVTHZSOXRRX-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@H]1CCOC[C@H]1[C@H](C)N ZINC000423059053 387865990 /nfs/dbraw/zinc/86/59/90/387865990.db2.gz KVPNHXQPODWRSN-AVGNSLFASA-N 1 3 242.407 2.011 20 0 BEADHO COc1ccc(F)cc1CN[C@@H](C)CCC[NH3+] ZINC000423062944 387868318 /nfs/dbraw/zinc/86/83/18/387868318.db2.gz NXPDSTYDPAPKOU-JTQLQIEISA-N 1 3 240.322 2.051 20 0 BEADHO CC(C)=CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423066915 387869107 /nfs/dbraw/zinc/86/91/07/387869107.db2.gz FTSLAXKYVZFREE-STQMWFEESA-N 1 3 210.365 2.320 20 0 BEADHO CCC(O)(CC)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423067095 387869872 /nfs/dbraw/zinc/86/98/72/387869872.db2.gz GHZAGFNQDFNGIQ-OLZOCXBDSA-N 1 3 242.407 2.035 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@@H](OC)C1)[C@H]1CCCC[NH2+]1 ZINC000423068316 387870769 /nfs/dbraw/zinc/87/07/69/387870769.db2.gz JRDXGOZVASKHRR-YIYPIFLZSA-N 1 3 240.391 2.064 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423071105 387871932 /nfs/dbraw/zinc/87/19/32/387871932.db2.gz OANSKVKGXCEOGC-PJQZNRQZSA-N 1 3 234.343 2.144 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422966939 387816947 /nfs/dbraw/zinc/81/69/47/387816947.db2.gz AXDVNSXROLPEIZ-KGLIPLIRSA-N 1 3 248.370 2.042 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccccc1O ZINC000422966939 387816950 /nfs/dbraw/zinc/81/69/50/387816950.db2.gz AXDVNSXROLPEIZ-KGLIPLIRSA-N 1 3 248.370 2.042 20 0 BEADHO C[C@H]1CC[NH2+]C[C@H]1NCCC1=CCCCC1 ZINC000422968399 387818110 /nfs/dbraw/zinc/81/81/10/387818110.db2.gz WSPVZXIUMCHGDX-GXTWGEPZSA-N 1 3 222.376 2.465 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422970229 387818450 /nfs/dbraw/zinc/81/84/50/387818450.db2.gz VZMNMPHSWGCCRV-AJNGGQMLSA-N 1 3 230.355 2.402 20 0 BEADHO Cc1cc([C@H](C)N[C@H](C)CCCC[NH3+])no1 ZINC000423105772 387891842 /nfs/dbraw/zinc/89/18/42/387891842.db2.gz CKEOWQAIBZONSW-KOLCDFICSA-N 1 3 225.336 2.151 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CNC1 ZINC000423117802 387898903 /nfs/dbraw/zinc/89/89/03/387898903.db2.gz XHAXUVSYCJXESC-ZJUUUORDSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC1(C)C)[C@H]1CCCNC1 ZINC000423110190 387893612 /nfs/dbraw/zinc/89/36/12/387893612.db2.gz OTBOSISQXQQYRC-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2ncccc2c1 ZINC000423081458 387878215 /nfs/dbraw/zinc/87/82/15/387878215.db2.gz BSBDNOKQTMGMFB-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO CC1(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423083671 387878376 /nfs/dbraw/zinc/87/83/76/387878376.db2.gz GFYREANMORHCIA-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2ncccc2c1 ZINC000423081456 387878980 /nfs/dbraw/zinc/87/89/80/387878980.db2.gz BSBDNOKQTMGMFB-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2ncccc2c1 ZINC000423081454 387879314 /nfs/dbraw/zinc/87/93/14/387879314.db2.gz BSBDNOKQTMGMFB-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)Cc1cccs1 ZINC000643540249 387882109 /nfs/dbraw/zinc/88/21/09/387882109.db2.gz LJBQMNUNXBDCIC-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)[C@H]1CCCN1 ZINC000423092552 387882608 /nfs/dbraw/zinc/88/26/08/387882608.db2.gz CIDSBBVCWATRED-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423095865 387884549 /nfs/dbraw/zinc/88/45/49/387884549.db2.gz NHHROIYZSRSNOA-CRWXNKLISA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000423119834 387900491 /nfs/dbraw/zinc/90/04/91/387900491.db2.gz FNWLSJUQBVKFSN-PZYMCFGQSA-N 1 3 224.270 2.043 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000423118051 387900880 /nfs/dbraw/zinc/90/08/80/387900880.db2.gz YOTKNDDJHFAZQH-VJTDZRGJSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@@H](NC[C@@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423119051 387901418 /nfs/dbraw/zinc/90/14/18/387901418.db2.gz CXYXMIGLJNMLMB-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCOC1 ZINC000423124044 387902399 /nfs/dbraw/zinc/90/23/99/387902399.db2.gz LVQWYOFXJINCOT-IHRRRGAJSA-N 1 3 240.391 2.066 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423125151 387902700 /nfs/dbraw/zinc/90/27/00/387902700.db2.gz NBIMOAVRAJJYFT-NWDGAFQWSA-N 1 3 228.355 2.376 20 0 BEADHO CC[C@@H](NCC1CC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423126373 387904467 /nfs/dbraw/zinc/90/44/67/387904467.db2.gz ISADXKVNXOSVIZ-MNOVXSKESA-N 1 3 232.318 2.152 20 0 BEADHO CC[C@@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCN1 ZINC000423126373 387904471 /nfs/dbraw/zinc/90/44/71/387904471.db2.gz ISADXKVNXOSVIZ-MNOVXSKESA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CNC1 ZINC000423130118 387906715 /nfs/dbraw/zinc/90/67/15/387906715.db2.gz MJDTVFHCZXTLHI-WDEREUQCSA-N 1 3 246.345 2.400 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423128849 387906765 /nfs/dbraw/zinc/90/67/65/387906765.db2.gz QPHLZRDGNNHDBT-MBJXGIAVSA-N 1 3 240.366 2.387 20 0 BEADHO C[C@H](F)CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423129552 387907449 /nfs/dbraw/zinc/90/74/49/387907449.db2.gz FGWNIPJMQCMXLU-OBJOEFQTSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[C@H](C)F ZINC000423129554 387908383 /nfs/dbraw/zinc/90/83/83/387908383.db2.gz FGWNIPJMQCMXLU-SCRDCRAPSA-N 1 3 238.350 2.283 20 0 BEADHO CC[C@H](NC[C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000423131944 387909071 /nfs/dbraw/zinc/90/90/71/387909071.db2.gz UCNVGRSOGZHSNI-AVGNSLFASA-N 1 3 242.432 2.250 20 0 BEADHO Cc1cccnc1C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423132744 387909651 /nfs/dbraw/zinc/90/96/51/387909651.db2.gz CCTUIOLCBUFHHX-STQMWFEESA-N 1 3 249.402 2.383 20 0 BEADHO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423132744 387909654 /nfs/dbraw/zinc/90/96/54/387909654.db2.gz CCTUIOLCBUFHHX-STQMWFEESA-N 1 3 249.402 2.383 20 0 BEADHO C[C@H](F)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423131224 387910345 /nfs/dbraw/zinc/91/03/45/387910345.db2.gz HPGTUZIDSNVGTE-RVMXOQNASA-N 1 3 228.355 2.245 20 0 BEADHO COCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCCC1 ZINC000423134762 387911467 /nfs/dbraw/zinc/91/14/67/387911467.db2.gz FHDUTIUQXGPHAP-OLZOCXBDSA-N 1 3 242.407 2.299 20 0 BEADHO C=Cc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423134690 387911527 /nfs/dbraw/zinc/91/15/27/387911527.db2.gz DXSFYMRHJIWMLC-CABCVRRESA-N 1 3 230.355 2.342 20 0 BEADHO C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CNC1 ZINC000423133326 387912262 /nfs/dbraw/zinc/91/22/62/387912262.db2.gz QDKNXXMCPNFOFX-LRDDRELGSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](NC[C@@H](c1ccccc1)C1CC1)C1C[NH2+]C1 ZINC000423133326 387912265 /nfs/dbraw/zinc/91/22/65/387912265.db2.gz QDKNXXMCPNFOFX-LRDDRELGSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)C1CNC1 ZINC000423133328 387912491 /nfs/dbraw/zinc/91/24/91/387912491.db2.gz QDKNXXMCPNFOFX-WBMJQRKESA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H](NC[C@@H](c1ccccc1)C1CC1)C1C[NH2+]C1 ZINC000423133328 387912497 /nfs/dbraw/zinc/91/24/97/387912497.db2.gz QDKNXXMCPNFOFX-WBMJQRKESA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)C1CNC1 ZINC000423135909 387914149 /nfs/dbraw/zinc/91/41/49/387914149.db2.gz OOWYJNXGPSXSFC-ZYHUDNBSSA-N 1 3 210.365 2.010 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCCC1(F)F ZINC000423150832 387930701 /nfs/dbraw/zinc/93/07/01/387930701.db2.gz ZHTWFQRVULGLNG-GMTAPVOTSA-N 1 3 232.318 2.281 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423152703 387931465 /nfs/dbraw/zinc/93/14/65/387931465.db2.gz MAOPHLLJZFBCHV-QNWHQSFQSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423154336 387931944 /nfs/dbraw/zinc/93/19/44/387931944.db2.gz OQVVGVQHJPVQDZ-RFGFWPKPSA-N 1 3 224.392 2.256 20 0 BEADHO CSCC1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC000423154103 387932400 /nfs/dbraw/zinc/93/24/00/387932400.db2.gz HDJAQFHQIRKZLU-ZBOXLXRLSA-N 1 3 242.432 2.106 20 0 BEADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423156629 387936931 /nfs/dbraw/zinc/93/69/31/387936931.db2.gz SVZUKDWXJXUJDS-APIJFGDWSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H](NC[C@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000423144741 387920385 /nfs/dbraw/zinc/92/03/85/387920385.db2.gz HUZGAHDPZSVEES-GXSJLCMTSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCC1(F)F)C1CNC1 ZINC000423144741 387920390 /nfs/dbraw/zinc/92/03/90/387920390.db2.gz HUZGAHDPZSVEES-GXSJLCMTSA-N 1 3 232.318 2.009 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145450 387923764 /nfs/dbraw/zinc/92/37/64/387923764.db2.gz KROIIFBEYNSCBR-WYUUTHIRSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@H]1C[C@@H](NCCOC2CCCC2)CC[N@@H+]1C ZINC000156147205 387926949 /nfs/dbraw/zinc/92/69/49/387926949.db2.gz RUICNPXDCJYEDF-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]1C[C@@H](NCCOC2CCCC2)CC[N@H+]1C ZINC000156147205 387926952 /nfs/dbraw/zinc/92/69/52/387926952.db2.gz RUICNPXDCJYEDF-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1C[C@H]1C ZINC000321159188 387954249 /nfs/dbraw/zinc/95/42/49/387954249.db2.gz XBTPULVAWUTXJN-ITGHMWBKSA-N 1 3 222.376 2.247 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1CN ZINC000423169743 387954460 /nfs/dbraw/zinc/95/44/60/387954460.db2.gz KJJMILUNTKEYAG-UMSGYPCISA-N 1 3 210.365 2.138 20 0 BEADHO CN(CC1=CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000645807752 387954643 /nfs/dbraw/zinc/95/46/43/387954643.db2.gz AFSGITWSKYHKDT-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO CN(CC1=CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000645807752 387954648 /nfs/dbraw/zinc/95/46/48/387954648.db2.gz AFSGITWSKYHKDT-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)C1CNC1 ZINC000423168707 387955509 /nfs/dbraw/zinc/95/55/09/387955509.db2.gz HYRVUPQRWCCGIA-SUHUHFCYSA-N 1 3 222.376 2.010 20 0 BEADHO CC(C)O[C@H]1C[C@@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423161544 387944340 /nfs/dbraw/zinc/94/43/40/387944340.db2.gz JBEPBHDGROGZPK-CRWXNKLISA-N 1 3 240.391 2.192 20 0 BEADHO CCCc1ncc(CN[C@H](C)CCCC[NH3+])o1 ZINC000423165345 387948901 /nfs/dbraw/zinc/94/89/01/387948901.db2.gz UJTQOEGSKRVVQM-LLVKDONJSA-N 1 3 239.363 2.234 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1c1ccccc1F ZINC000423166822 387949740 /nfs/dbraw/zinc/94/97/40/387949740.db2.gz DLJNNQQSYAIAJO-OBCWZRDOSA-N 1 3 248.345 2.399 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423166822 387949744 /nfs/dbraw/zinc/94/97/44/387949744.db2.gz DLJNNQQSYAIAJO-OBCWZRDOSA-N 1 3 248.345 2.399 20 0 BEADHO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423166479 387950583 /nfs/dbraw/zinc/95/05/83/387950583.db2.gz CSVKKRJCNDOKLI-KBXIAJHMSA-N 1 3 246.354 2.288 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1c1ccccc1F ZINC000423166823 387950688 /nfs/dbraw/zinc/95/06/88/387950688.db2.gz DLJNNQQSYAIAJO-UEEZHKSASA-N 1 3 248.345 2.399 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423166823 387950691 /nfs/dbraw/zinc/95/06/91/387950691.db2.gz DLJNNQQSYAIAJO-UEEZHKSASA-N 1 3 248.345 2.399 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423170767 387958185 /nfs/dbraw/zinc/95/81/85/387958185.db2.gz YULOCWKZSKEVHA-SAXRGWBVSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H]([NH2+]C1(C2CCC2)CCC1)[C@@H]1CCCN1 ZINC000423172671 387960124 /nfs/dbraw/zinc/96/01/24/387960124.db2.gz UPZLVGGQCCFCFS-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)C[C@@H](NCCC[NH3+])c2ccccc21 ZINC000423175068 387962588 /nfs/dbraw/zinc/96/25/88/387962588.db2.gz CTSJGONPHKGKMM-CYBMUJFWSA-N 1 3 218.344 2.347 20 0 BEADHO C[C@@H](NCCC[NH3+])c1cc2c(s1)CCC2 ZINC000423180530 387965612 /nfs/dbraw/zinc/96/56/12/387965612.db2.gz FDASYYGSZFTUTI-SECBINFHSA-N 1 3 224.373 2.236 20 0 BEADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN)cc1 ZINC000423179436 387965845 /nfs/dbraw/zinc/96/58/45/387965845.db2.gz DFHQYHJNPQYZRM-NWDGAFQWSA-N 1 3 236.359 2.126 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NCCC[NH3+])[C@H](C)C2 ZINC000423179953 387966933 /nfs/dbraw/zinc/96/69/33/387966933.db2.gz DOUCHXGZAQTHSF-RISCZKNCSA-N 1 3 218.344 2.167 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423185530 387970212 /nfs/dbraw/zinc/97/02/12/387970212.db2.gz NWHYQZPCQCSSIM-UMSGYPCISA-N 1 3 234.343 2.243 20 0 BEADHO Cc1cccc2c1[C@@H](C)C[C@@H]2NCCC[NH3+] ZINC000423196641 387981738 /nfs/dbraw/zinc/98/17/38/387981738.db2.gz VTNFBDMTJPRJOR-AAEUAGOBSA-N 1 3 218.344 2.482 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000423201703 387987910 /nfs/dbraw/zinc/98/79/10/387987910.db2.gz JCLYVLMQJXVSEH-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(CCCN[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424362601 387990468 /nfs/dbraw/zinc/99/04/68/387990468.db2.gz AJMLHNNJYZGURR-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1C[C@@H]1C ZINC000423205625 387991081 /nfs/dbraw/zinc/99/10/81/387991081.db2.gz FGIYLXSMNBIONZ-RNJOBUHISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc(CO)c1 ZINC000424369865 387994989 /nfs/dbraw/zinc/99/49/89/387994989.db2.gz CPRYXGXGLHWLKM-KCPJHIHWSA-N 1 3 248.370 2.099 20 0 BEADHO C([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCCNC1 ZINC000423212706 387995339 /nfs/dbraw/zinc/99/53/39/387995339.db2.gz MCPMCXJWYBQNBR-KWCYVHTRSA-N 1 3 222.376 2.154 20 0 BEADHO COc1ccc([C@@H](C)NCCC[NH3+])c(C)c1 ZINC000423197053 387982454 /nfs/dbraw/zinc/98/24/54/387982454.db2.gz XPEXJFVIYQDIEX-LLVKDONJSA-N 1 3 222.332 2.003 20 0 BEADHO CCC1(CC)[C@H]([NH2+]CCCNC)[C@H](C)[C@H]1OC ZINC000423197859 387984684 /nfs/dbraw/zinc/98/46/84/387984684.db2.gz BNROEMAKZHRYBN-YNEHKIRRSA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H](NCCC[NH2+]C)[C@H](C)[C@H]1OC ZINC000423197859 387984688 /nfs/dbraw/zinc/98/46/88/387984688.db2.gz BNROEMAKZHRYBN-YNEHKIRRSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H]1C[C@H]1C ZINC000423216066 387997328 /nfs/dbraw/zinc/99/73/28/387997328.db2.gz NYLFJHSSVPZARB-SJHCENCUSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000423215282 387997585 /nfs/dbraw/zinc/99/75/85/387997585.db2.gz MVYLCEYVQKNHOP-RTXFEEFZSA-N 1 3 210.365 2.153 20 0 BEADHO CSCC[C@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000252690072 135097373 /nfs/dbraw/zinc/09/73/73/135097373.db2.gz TWDQYWZOJIZKNF-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000252690072 135097376 /nfs/dbraw/zinc/09/73/76/135097376.db2.gz TWDQYWZOJIZKNF-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000252690072 135097379 /nfs/dbraw/zinc/09/73/79/135097379.db2.gz TWDQYWZOJIZKNF-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc2c(c1)COC2 ZINC000423223939 388006542 /nfs/dbraw/zinc/00/65/42/388006542.db2.gz IAPRKABOMLVVGP-QWRGUYRKSA-N 1 3 234.343 2.105 20 0 BEADHO CSCC1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000423226502 388009292 /nfs/dbraw/zinc/00/92/92/388009292.db2.gz QYODJPYZIVVHNR-UNXYVOJBSA-N 1 3 230.421 2.235 20 0 BEADHO C[NH2+]CCN[C@H]1CCC[C@H](CC(C)C)C1 ZINC000423240003 388024376 /nfs/dbraw/zinc/02/43/76/388024376.db2.gz GRIUCJUMDHZBOH-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)CN(C)C ZINC000453224465 388014545 /nfs/dbraw/zinc/01/45/45/388014545.db2.gz AXGZAGOPMIHUOA-RISCZKNCSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2ccccc21 ZINC000423231777 388016858 /nfs/dbraw/zinc/01/68/58/388016858.db2.gz LTVILMMBWLFMMR-SMDDNHRTSA-N 1 3 218.344 2.391 20 0 BEADHO C[NH2+]CCN[C@H]1CCCCC12CCCC2 ZINC000423235379 388018137 /nfs/dbraw/zinc/01/81/37/388018137.db2.gz AQWQJVKUCKZJSS-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO Cc1ccccc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423233781 388019131 /nfs/dbraw/zinc/01/91/31/388019131.db2.gz OTIHKHMWBCJECR-RYUDHWBXSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000423255432 388036394 /nfs/dbraw/zinc/03/63/94/388036394.db2.gz CBRLDXCQFSXJGX-RYUDHWBXSA-N 1 3 222.332 2.320 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CNC)[C@H]1CC1(C)C ZINC000423255733 388037260 /nfs/dbraw/zinc/03/72/60/388037260.db2.gz APZNKWMKLRQBJB-UTUOFQBUSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H]1CCc2ccccc21 ZINC000423262704 388040135 /nfs/dbraw/zinc/04/01/35/388040135.db2.gz NFHMJSKZABALDG-KGLIPLIRSA-N 1 3 218.344 2.247 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423265239 388044609 /nfs/dbraw/zinc/04/46/09/388044609.db2.gz CRODXQRNFCBDQC-KGLIPLIRSA-N 1 3 236.334 2.386 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423265237 388044616 /nfs/dbraw/zinc/04/46/16/388044616.db2.gz CRODXQRNFCBDQC-KBPBESRZSA-N 1 3 236.334 2.386 20 0 BEADHO Cc1ccnc([C@H](C)NCC[C@H]2CC[NH2+]C2)c1 ZINC000423247268 388030519 /nfs/dbraw/zinc/03/05/19/388030519.db2.gz KYBWZXBNXYKPEO-QWHCGFSZSA-N 1 3 233.359 2.040 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423275933 388056300 /nfs/dbraw/zinc/05/63/00/388056300.db2.gz MJFSUVQLOXKFAH-AVGNSLFASA-N 1 3 222.376 2.426 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000423276147 388057466 /nfs/dbraw/zinc/05/74/66/388057466.db2.gz OFDNJCZWQMEMAT-SRVKXCTJSA-N 1 3 212.381 2.256 20 0 BEADHO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CNC ZINC000423279095 388060489 /nfs/dbraw/zinc/06/04/89/388060489.db2.gz RXNRSHAJPXJUJX-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423280613 388061495 /nfs/dbraw/zinc/06/14/95/388061495.db2.gz UXMUPOCNCWJEAM-WCFLWFBJSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423279564 388061783 /nfs/dbraw/zinc/06/17/83/388061783.db2.gz RNEYPUVCNWQOJC-KWCYVHTRSA-N 1 3 236.359 2.318 20 0 BEADHO Cc1cc([C@H](C)NCC[C@H]2CCC[NH2+]C2)no1 ZINC000423281926 388064286 /nfs/dbraw/zinc/06/42/86/388064286.db2.gz VYXRFMSLRYITPO-NWDGAFQWSA-N 1 3 237.347 2.023 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423283447 388065126 /nfs/dbraw/zinc/06/51/26/388065126.db2.gz WEIRWKOZZNLVCV-LPWJVIDDSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CNC ZINC000423284418 388067001 /nfs/dbraw/zinc/06/70/01/388067001.db2.gz YLDWFLKRNPIIHJ-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)N ZINC000423287214 388070695 /nfs/dbraw/zinc/07/06/95/388070695.db2.gz KWWZPXVZVLKNQS-WCQYABFASA-N 1 3 236.359 2.090 20 0 BEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(C)N ZINC000423287213 388071364 /nfs/dbraw/zinc/07/13/64/388071364.db2.gz KWWZPXVZVLKNQS-DGCLKSJQSA-N 1 3 236.359 2.090 20 0 BEADHO CC(C)([NH3+])CN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423287675 388072674 /nfs/dbraw/zinc/07/26/74/388072674.db2.gz NVAAYUCKNMYPAY-OCCSQVGLSA-N 1 3 247.386 2.435 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423295545 388077162 /nfs/dbraw/zinc/07/71/62/388077162.db2.gz FCLNSQUVJFBLBR-MFKMUULPSA-N 1 3 224.323 2.461 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])CCCO2 ZINC000423296884 388079018 /nfs/dbraw/zinc/07/90/18/388079018.db2.gz HWBVQSTUCHIECS-TZMCWYRMSA-N 1 3 248.370 2.393 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423297488 388079385 /nfs/dbraw/zinc/07/93/85/388079385.db2.gz KNBIJURYJRTRNM-BXUZGUMPSA-N 1 3 236.359 2.331 20 0 BEADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H](C)C[NH3+] ZINC000423297642 388079686 /nfs/dbraw/zinc/07/96/86/388079686.db2.gz LDDUONMPNRSWGX-IAQYHMDHSA-N 1 3 248.370 2.257 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH3+])CC2 ZINC000423297493 388079756 /nfs/dbraw/zinc/07/97/56/388079756.db2.gz KNBQADDCOZHGAK-FZMZJTMJSA-N 1 3 218.344 2.167 20 0 BEADHO Cc1ccsc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423298119 388079847 /nfs/dbraw/zinc/07/98/47/388079847.db2.gz NEYUSWNWBPGUGI-WCBMZHEXSA-N 1 3 212.362 2.302 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423297491 388080397 /nfs/dbraw/zinc/08/03/97/388080397.db2.gz KNBIJURYJRTRNM-SMDDNHRTSA-N 1 3 236.359 2.331 20 0 BEADHO Cc1cc(NC[C@H]2N(C)CCCC2(C)C)cc[nH+]1 ZINC000447808880 388094093 /nfs/dbraw/zinc/09/40/93/388094093.db2.gz WUKPYVCPGLOBFK-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)ccn1 ZINC000447808880 388094095 /nfs/dbraw/zinc/09/40/95/388094095.db2.gz WUKPYVCPGLOBFK-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1cc(NC[C@H]2[N@@H+](C)CCCC2(C)C)ccn1 ZINC000447808880 388094096 /nfs/dbraw/zinc/09/40/96/388094096.db2.gz WUKPYVCPGLOBFK-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403258 388101512 /nfs/dbraw/zinc/10/15/12/388101512.db2.gz JKIYZIXUMKZRHK-UONOGXRCSA-N 1 3 218.344 2.355 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000086402306 388101746 /nfs/dbraw/zinc/10/17/46/388101746.db2.gz VWNHKFSYIJLCTR-WCFLWFBJSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N)[C@H](C)C2)C1 ZINC000086884271 388110097 /nfs/dbraw/zinc/11/00/97/388110097.db2.gz ILBOPLDSZVRMND-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N)[C@H](C)C2)C1 ZINC000086884271 388110100 /nfs/dbraw/zinc/11/01/00/388110100.db2.gz ILBOPLDSZVRMND-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](CN2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000086884271 388110102 /nfs/dbraw/zinc/11/01/02/388110102.db2.gz ILBOPLDSZVRMND-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCC(C)(F)F)[C@@H](C)C1 ZINC000449354692 388180027 /nfs/dbraw/zinc/18/00/27/388180027.db2.gz QMSZPVNBDOJOGQ-QWRGUYRKSA-N 1 3 234.334 2.352 20 0 BEADHO CC[N@H+]1CC[C@H](NCCC(C)(F)F)[C@@H](C)C1 ZINC000449354692 388180029 /nfs/dbraw/zinc/18/00/29/388180029.db2.gz QMSZPVNBDOJOGQ-QWRGUYRKSA-N 1 3 234.334 2.352 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000488464207 388181064 /nfs/dbraw/zinc/18/10/64/388181064.db2.gz RGNFRHTYQQQAFB-WFASDCNBSA-N 1 3 232.371 2.494 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCC1 ZINC000324956793 388129327 /nfs/dbraw/zinc/12/93/27/388129327.db2.gz VWAMDECPCFTVCQ-AVGNSLFASA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCC1 ZINC000324956792 388129390 /nfs/dbraw/zinc/12/93/90/388129390.db2.gz VWAMDECPCFTVCQ-AGIUHOORSA-N 1 3 210.365 2.425 20 0 BEADHO CCCN[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000449124154 388145083 /nfs/dbraw/zinc/14/50/83/388145083.db2.gz FSTBTXRWDFTCGE-QWRGUYRKSA-N 1 3 249.358 2.033 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000449442085 388206866 /nfs/dbraw/zinc/20/68/66/388206866.db2.gz WFDMGXKNUNUYAG-WXHSDQCUSA-N 1 3 208.349 2.001 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451578834 388282673 /nfs/dbraw/zinc/28/26/73/388282673.db2.gz XUPVKUBOFRIWIN-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451578834 388282675 /nfs/dbraw/zinc/28/26/75/388282675.db2.gz XUPVKUBOFRIWIN-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H](C)N ZINC000261529757 135156329 /nfs/dbraw/zinc/15/63/29/135156329.db2.gz VCKMSSLTNUWBAY-DTWKUNHWSA-N 1 3 212.724 2.165 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000451628539 388285391 /nfs/dbraw/zinc/28/53/91/388285391.db2.gz BFEHGFQNNKRIAJ-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](C[NH2+]Cc1ccccc1N(C)C)CN(C)C ZINC000491549714 388303453 /nfs/dbraw/zinc/30/34/53/388303453.db2.gz WGTNZXHASDHXCE-CYBMUJFWSA-N 1 3 249.402 2.040 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000086403861 388347918 /nfs/dbraw/zinc/34/79/18/388347918.db2.gz LBVQOGFBKHIEDX-YNEHKIRRSA-N 1 3 208.349 2.202 20 0 BEADHO CC[C@H](NC1CC[NH+](C)CC1)c1ccncc1 ZINC000163686366 388366982 /nfs/dbraw/zinc/36/69/82/388366982.db2.gz KIEABUFYEMZJCN-AWEZNQCLSA-N 1 3 233.359 2.217 20 0 BEADHO C[C@H](Cc1ccsc1)NCC[C@H]1CCC[NH2+]1 ZINC000519349504 256647368 /nfs/dbraw/zinc/64/73/68/256647368.db2.gz HNKUQBWLBRSNJA-DGCLKSJQSA-N 1 3 238.400 2.411 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000572887572 388383901 /nfs/dbraw/zinc/38/39/01/388383901.db2.gz USSUOHFJZKCOKO-BPLDGKMQSA-N 1 3 236.403 2.495 20 0 BEADHO CCC(C)(C)OCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000308550696 388442454 /nfs/dbraw/zinc/44/24/54/388442454.db2.gz WONAKGMROFODTE-OLZOCXBDSA-N 1 3 242.407 2.264 20 0 BEADHO CCC(C)(C)OCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000308550696 388442457 /nfs/dbraw/zinc/44/24/57/388442457.db2.gz WONAKGMROFODTE-OLZOCXBDSA-N 1 3 242.407 2.264 20 0 BEADHO [NH3+]CCCCNCc1sccc1Cl ZINC000394082877 388450574 /nfs/dbraw/zinc/45/05/74/388450574.db2.gz JWTLSHJYIXNVHJ-UHFFFAOYSA-N 1 3 218.753 2.230 20 0 BEADHO CC(C)CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397307827 388457646 /nfs/dbraw/zinc/45/76/46/388457646.db2.gz HPVQPSZYMPRVBA-AGIUHOORSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397307827 388457648 /nfs/dbraw/zinc/45/76/48/388457648.db2.gz HPVQPSZYMPRVBA-AGIUHOORSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397307830 388458574 /nfs/dbraw/zinc/45/85/74/388458574.db2.gz HPVQPSZYMPRVBA-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397307830 388458575 /nfs/dbraw/zinc/45/85/75/388458575.db2.gz HPVQPSZYMPRVBA-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CCS[C@@H]1CC[C@H](N(C)CCC[NH2+]C)C1 ZINC000336719419 388468251 /nfs/dbraw/zinc/46/82/51/388468251.db2.gz YEMQVQMZHDTJJW-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@@H]1CC[C@H]([N@H+](C)CCCNC)C1 ZINC000336719419 388468253 /nfs/dbraw/zinc/46/82/53/388468253.db2.gz YEMQVQMZHDTJJW-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCNC)C1 ZINC000336719419 388468255 /nfs/dbraw/zinc/46/82/55/388468255.db2.gz YEMQVQMZHDTJJW-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+]1CCCN1CCCCC1 ZINC000548096654 388511135 /nfs/dbraw/zinc/51/11/35/388511135.db2.gz FFIZROGSFNYSAR-BETUJISGSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+]1CCCN1CCCCC1 ZINC000548096654 388511138 /nfs/dbraw/zinc/51/11/38/388511138.db2.gz FFIZROGSFNYSAR-BETUJISGSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCNC1 ZINC000398043905 388515397 /nfs/dbraw/zinc/51/53/97/388515397.db2.gz AESVLYRUNXIUIZ-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000516877925 388520581 /nfs/dbraw/zinc/52/05/81/388520581.db2.gz RAMYPWFOMRYABP-MXWKQRLJSA-N 1 3 232.318 2.281 20 0 BEADHO CCc1cc(N2CCN(CC)[C@H](C)C2)cc[nH+]1 ZINC000649311189 388597335 /nfs/dbraw/zinc/59/73/35/388597335.db2.gz WPCQNOYZAXVWGE-GFCCVEGCSA-N 1 3 233.359 2.174 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCOC)C1 ZINC000081571796 388584310 /nfs/dbraw/zinc/58/43/10/388584310.db2.gz ZNGSEFGLAIDATQ-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCOC)C1 ZINC000081571796 388584311 /nfs/dbraw/zinc/58/43/11/388584311.db2.gz ZNGSEFGLAIDATQ-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CCCCOC)C1 ZINC000081571796 388584313 /nfs/dbraw/zinc/58/43/13/388584313.db2.gz ZNGSEFGLAIDATQ-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC000081571796 388584315 /nfs/dbraw/zinc/58/43/15/388584315.db2.gz ZNGSEFGLAIDATQ-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCC[C@@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178056 388621105 /nfs/dbraw/zinc/62/11/05/388621105.db2.gz NYEKFTYTHWFXEE-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530177320 388621773 /nfs/dbraw/zinc/62/17/73/388621773.db2.gz FYBJECJREZRIJO-VXGBXAGGSA-N 1 3 222.376 2.439 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)OCC ZINC000530206570 388626622 /nfs/dbraw/zinc/62/66/22/388626622.db2.gz APOIPLXOJUFKTD-MGPQQGTHSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCCN1 ZINC000530212362 388627945 /nfs/dbraw/zinc/62/79/45/388627945.db2.gz RGDGSGAFINLVGS-VJTDZRGJSA-N 1 3 222.376 2.153 20 0 BEADHO COC[C@@H](C)C[NH2+]CCCN1CCCC[C@H]1C ZINC000248572699 388684379 /nfs/dbraw/zinc/68/43/79/388684379.db2.gz NGGHXHZUPPIFAV-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530215753 388628756 /nfs/dbraw/zinc/62/87/56/388628756.db2.gz IQLRPAJDBHAKLL-BPCQOVAHSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530213539 388628865 /nfs/dbraw/zinc/62/88/65/388628865.db2.gz ADYSOCJCPNFKBZ-IJLUTSLNSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C(C)(C)C ZINC000530216299 388630253 /nfs/dbraw/zinc/63/02/53/388630253.db2.gz AFADZDBNTDVFDJ-WDEREUQCSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000530222914 388634074 /nfs/dbraw/zinc/63/40/74/388634074.db2.gz IRNCGANPUMHQSV-WCQYABFASA-N 1 3 224.392 2.339 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000530222914 388634075 /nfs/dbraw/zinc/63/40/75/388634075.db2.gz IRNCGANPUMHQSV-WCQYABFASA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)(C)CC[NH2+][C@H]1CCNC12CCC2 ZINC000530242830 388637967 /nfs/dbraw/zinc/63/79/67/388637967.db2.gz DNZRWXXRWGTSSL-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251176502 388642191 /nfs/dbraw/zinc/64/21/91/388642191.db2.gz GFZOIPZEYWVBPU-KGYLQXTDSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](C[NH2+]C(C1CC1)C1CC1)CN1CCCC1 ZINC000062077367 388649046 /nfs/dbraw/zinc/64/90/46/388649046.db2.gz IXYSBJAGTQSKKT-GFCCVEGCSA-N 1 3 236.403 2.497 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246886086 388654383 /nfs/dbraw/zinc/65/43/83/388654383.db2.gz FDIJKVHFAQEVSH-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251379479 388747163 /nfs/dbraw/zinc/74/71/63/388747163.db2.gz YZWZUEDYMBGUHJ-XQQFMLRXSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CC12CC2 ZINC000424373916 388696371 /nfs/dbraw/zinc/69/63/71/388696371.db2.gz KFICGXOWJWLBKU-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248972692 388702190 /nfs/dbraw/zinc/70/21/90/388702190.db2.gz DKRNZHFQAXQCHV-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](C)[C@H]1C ZINC000248972692 388702191 /nfs/dbraw/zinc/70/21/91/388702191.db2.gz DKRNZHFQAXQCHV-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1CC[C@H](C)[C@H]1C ZINC000248972692 388702194 /nfs/dbraw/zinc/70/21/94/388702194.db2.gz DKRNZHFQAXQCHV-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228152667 388771033 /nfs/dbraw/zinc/77/10/33/388771033.db2.gz PMGFEGCVGCHVNX-WDEREUQCSA-N 1 3 224.373 2.226 20 0 BEADHO [NH3+]CCCCNCc1cccc(Cl)c1F ZINC000229237149 388783452 /nfs/dbraw/zinc/78/34/52/388783452.db2.gz OKTKOFRYYAGBJI-UHFFFAOYSA-N 1 3 230.714 2.308 20 0 BEADHO COC[C@@H](C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000129606836 388858033 /nfs/dbraw/zinc/85/80/33/388858033.db2.gz XZMMGQDKWYWGIC-LBPRGKRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccoc1 ZINC000564828085 388890153 /nfs/dbraw/zinc/89/01/53/388890153.db2.gz YXRFASREDTVWGM-ZWNOBZJWSA-N 1 3 222.332 2.448 20 0 BEADHO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccoc1 ZINC000564828084 388891838 /nfs/dbraw/zinc/89/18/38/388891838.db2.gz YXRFASREDTVWGM-MFKMUULPSA-N 1 3 222.332 2.448 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H](C[NH3+])C1CC1 ZINC000565762736 388967890 /nfs/dbraw/zinc/96/78/90/388967890.db2.gz FLKNQOKCUKQFPL-SKDRFNHKSA-N 1 3 224.373 2.006 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000565592462 388955344 /nfs/dbraw/zinc/95/53/44/388955344.db2.gz DPELNINJJVQXCJ-ZIAGYGMSSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000565592462 388955348 /nfs/dbraw/zinc/95/53/48/388955348.db2.gz DPELNINJJVQXCJ-ZIAGYGMSSA-N 1 3 242.407 2.168 20 0 BEADHO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000565593365 388955903 /nfs/dbraw/zinc/95/59/03/388955903.db2.gz SRNHCQXACXKSRR-VXGBXAGGSA-N 1 3 236.359 2.219 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000566088401 388986790 /nfs/dbraw/zinc/98/67/90/388986790.db2.gz LNHOBSJHJZSYOP-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@@H]1C1CC1 ZINC000566088401 388986793 /nfs/dbraw/zinc/98/67/93/388986793.db2.gz LNHOBSJHJZSYOP-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000566088403 388986832 /nfs/dbraw/zinc/98/68/32/388986832.db2.gz LNHOBSJHJZSYOP-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@H]1C1CC1 ZINC000566088403 388986834 /nfs/dbraw/zinc/98/68/34/388986834.db2.gz LNHOBSJHJZSYOP-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(F)cc1CNCC1=CC[N@H+](C)CC1 ZINC000272236332 389030089 /nfs/dbraw/zinc/03/00/89/389030089.db2.gz GIPMUALIUFTWBN-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO Cc1ccc(F)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000272236332 389030092 /nfs/dbraw/zinc/03/00/92/389030092.db2.gz GIPMUALIUFTWBN-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO C([NH2+]C[C@H]1CCCNC1)C1CCCCC1 ZINC000087646352 533368287 /nfs/dbraw/zinc/36/82/87/533368287.db2.gz IDGRFGUOOBFNNR-ZDUSSCGKSA-N 1 3 210.365 2.156 20 0 BEADHO [NH3+]C[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000044532196 132225287 /nfs/dbraw/zinc/22/52/87/132225287.db2.gz PACKYJFLTFIOBS-GFCCVEGCSA-N 1 3 241.338 2.410 20 0 BEADHO C[C@H]1CN(c2ccnc3ccccc32)CC[C@@H]1[NH3+] ZINC000094342415 132239247 /nfs/dbraw/zinc/23/92/47/132239247.db2.gz WQSGBYFGDNVMSD-AAEUAGOBSA-N 1 3 241.338 2.408 20 0 BEADHO C[C@H]1CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000334317525 132296178 /nfs/dbraw/zinc/29/61/78/132296178.db2.gz VAOUZCKDNVAKTM-WFASDCNBSA-N 1 3 245.370 2.439 20 0 BEADHO [NH3+]C1CCN(c2ccnc3ccccc32)CC1 ZINC000041719758 132297244 /nfs/dbraw/zinc/29/72/44/132297244.db2.gz YNLKSAAVICVSJS-UHFFFAOYSA-N 1 3 227.311 2.162 20 0 BEADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000035732802 132339053 /nfs/dbraw/zinc/33/90/53/132339053.db2.gz MFSAIKYPUSSUDQ-GFCCVEGCSA-N 1 3 245.370 2.439 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@H]1C1CCC1 ZINC000336197082 134127087 /nfs/dbraw/zinc/12/70/87/134127087.db2.gz KGEHHXQTCKIYLX-OCCSQVGLSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@H]1C1CCC1 ZINC000336197082 134127088 /nfs/dbraw/zinc/12/70/88/134127088.db2.gz KGEHHXQTCKIYLX-OCCSQVGLSA-N 1 3 222.376 2.251 20 0 BEADHO C([NH2+]C1CCCCCCC1)[C@@H]1CCCN1 ZINC000216542554 134149939 /nfs/dbraw/zinc/14/99/39/134149939.db2.gz JLJWYIRLUWEXMV-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CN)C1 ZINC000347032433 134196278 /nfs/dbraw/zinc/19/62/78/134196278.db2.gz ABIDRIJWUOFBGV-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](CN)C1 ZINC000347032433 134196279 /nfs/dbraw/zinc/19/62/79/134196279.db2.gz ABIDRIJWUOFBGV-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000168693632 134242430 /nfs/dbraw/zinc/24/24/30/134242430.db2.gz KFZULCLPVQNGFO-OCCSQVGLSA-N 1 3 218.344 2.479 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000168755483 134247725 /nfs/dbraw/zinc/24/77/25/134247725.db2.gz DFMCYDCQSGUIIW-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CCC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397850 134306298 /nfs/dbraw/zinc/30/62/98/134306298.db2.gz LSVOEQRJLCTMPD-QWHCGFSZSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)CCC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397850 134306299 /nfs/dbraw/zinc/30/62/99/134306299.db2.gz LSVOEQRJLCTMPD-QWHCGFSZSA-N 1 3 210.365 2.106 20 0 BEADHO C(C[NH2+]C1CCNCC1)CC1CCCC1 ZINC000225094688 134352961 /nfs/dbraw/zinc/35/29/61/134352961.db2.gz SHFWIUJHWQZHES-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO CC[C@H](COC)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227541078 134382895 /nfs/dbraw/zinc/38/28/95/134382895.db2.gz IWTSGAQXHPDFOA-LERXQTSPSA-N 1 3 234.343 2.146 20 0 BEADHO Cc1ccccc1[C@@H](C)N(C)CCC[NH3+] ZINC000227743732 134392050 /nfs/dbraw/zinc/39/20/50/134392050.db2.gz NZNULDLGGCYEIW-GFCCVEGCSA-N 1 3 206.333 2.337 20 0 BEADHO CC(C)CCOCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250589276 135056158 /nfs/dbraw/zinc/05/61/58/135056158.db2.gz JTGRIYCOJRXFSV-KBPBESRZSA-N 1 3 242.407 2.108 20 0 BEADHO CSCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250961998 135061107 /nfs/dbraw/zinc/06/11/07/135061107.db2.gz WXTWDRARRHDWTH-YNEHKIRRSA-N 1 3 242.432 2.250 20 0 BEADHO CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251327674 135068053 /nfs/dbraw/zinc/06/80/53/135068053.db2.gz MUAWYPUPNOEPCQ-AVGNSLFASA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000251687351 135074781 /nfs/dbraw/zinc/07/47/81/135074781.db2.gz WFDMGXKNUNUYAG-DRZSPHRISA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@H]1N ZINC000251706340 135074968 /nfs/dbraw/zinc/07/49/68/135074968.db2.gz JDTXEYQOJHLZCZ-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1N ZINC000251706340 135074969 /nfs/dbraw/zinc/07/49/69/135074969.db2.gz JDTXEYQOJHLZCZ-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CN(CC2CCCCC2)CC[C@H]1[NH3+] ZINC000251706340 135074971 /nfs/dbraw/zinc/07/49/71/135074971.db2.gz JDTXEYQOJHLZCZ-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252028704 135082341 /nfs/dbraw/zinc/08/23/41/135082341.db2.gz YVGHZDKCZGZPLW-AVGNSLFASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@H]1C ZINC000252162518 135085471 /nfs/dbraw/zinc/08/54/71/135085471.db2.gz PZSZSXXNEMHNQU-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@H]1C ZINC000252162516 135086172 /nfs/dbraw/zinc/08/61/72/135086172.db2.gz PZSZSXXNEMHNQU-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CS1 ZINC000252203614 135086328 /nfs/dbraw/zinc/08/63/28/135086328.db2.gz WTPMYMMZSMBWGU-NDBYEHHHSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000252203614 135086330 /nfs/dbraw/zinc/08/63/30/135086330.db2.gz WTPMYMMZSMBWGU-NDBYEHHHSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)C[C@H](C)O ZINC000252751541 135107386 /nfs/dbraw/zinc/10/73/86/135107386.db2.gz GRXBOFOXLFVHJM-CRWXNKLISA-N 1 3 242.407 2.046 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000252787831 135109924 /nfs/dbraw/zinc/10/99/24/135109924.db2.gz QRRFUAMNLPDOMP-KMLBCRHOSA-N 1 3 202.301 2.129 20 0 BEADHO C[C@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1CN ZINC000261599725 135111394 /nfs/dbraw/zinc/11/13/94/135111394.db2.gz ZZCHRKGNHGFAAW-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1CN ZINC000261599725 135111395 /nfs/dbraw/zinc/11/13/95/135111395.db2.gz ZZCHRKGNHGFAAW-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO Cc1ccc([C@@H](C)NCCC[NH3+])cc1F ZINC000087284268 135116656 /nfs/dbraw/zinc/11/66/56/135116656.db2.gz DGXZCCUTAXJLNH-SNVBAGLBSA-N 1 3 210.296 2.134 20 0 BEADHO CC[C@H](CCO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253033034 135119254 /nfs/dbraw/zinc/11/92/54/135119254.db2.gz UFPOFZRAOFJBBF-MGPQQGTHSA-N 1 3 242.407 2.048 20 0 BEADHO CC[C@H](CCO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253033033 135119291 /nfs/dbraw/zinc/11/92/91/135119291.db2.gz UFPOFZRAOFJBBF-BFHYXJOUSA-N 1 3 242.407 2.048 20 0 BEADHO Cc1ccsc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000087308684 135121976 /nfs/dbraw/zinc/12/19/76/135121976.db2.gz DCMLLIWHCXKKSE-GHMZBOCLSA-N 1 3 224.373 2.416 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1CN ZINC000253207830 135124791 /nfs/dbraw/zinc/12/47/91/135124791.db2.gz HTQOJEGDNHYITG-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1CN ZINC000253207830 135124792 /nfs/dbraw/zinc/12/47/92/135124792.db2.gz HTQOJEGDNHYITG-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1CN ZINC000253246653 135125584 /nfs/dbraw/zinc/12/55/84/135125584.db2.gz SBIHQKKKMLLHFJ-NWDGAFQWSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1CN ZINC000253246653 135125585 /nfs/dbraw/zinc/12/55/85/135125585.db2.gz SBIHQKKKMLLHFJ-NWDGAFQWSA-N 1 3 212.381 2.339 20 0 BEADHO Cc1ccc(CCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000257721868 135140840 /nfs/dbraw/zinc/14/08/40/135140840.db2.gz VSKIHEXWDNBXNH-INIZCTEOSA-N 1 3 244.382 2.223 20 0 BEADHO C[C@@H](CN)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000261545319 135142556 /nfs/dbraw/zinc/14/25/56/135142556.db2.gz FXPJGRODVDSDKM-QMMMGPOBSA-N 1 3 248.248 2.022 20 0 BEADHO CCc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261529289 135154800 /nfs/dbraw/zinc/15/48/00/135154800.db2.gz AOBAGDSKDXVXSO-QWRGUYRKSA-N 1 3 206.333 2.074 20 0 BEADHO CC(C)(N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000261529493 135156016 /nfs/dbraw/zinc/15/60/16/135156016.db2.gz AVNWPFXGGGNOQR-SNVBAGLBSA-N 1 3 224.373 2.452 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000261530824 135158896 /nfs/dbraw/zinc/15/88/96/135158896.db2.gz DFSJYTCDCBXGBU-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2)[C@H]1C ZINC000261530824 135158898 /nfs/dbraw/zinc/15/88/98/135158898.db2.gz DFSJYTCDCBXGBU-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000261531313 135159662 /nfs/dbraw/zinc/15/96/62/135159662.db2.gz GBNNAFHQECLJLL-QXEWZRGKSA-N 1 3 224.373 2.451 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)NC[C@@H](C)c1ccccc1 ZINC000261531656 135160592 /nfs/dbraw/zinc/16/05/92/135160592.db2.gz HKLLTGQAVHNDHM-UTUOFQBUSA-N 1 3 206.333 2.115 20 0 BEADHO CC1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000087646010 135160709 /nfs/dbraw/zinc/16/07/09/135160709.db2.gz RTVILVUEDVOYSA-OTTFEQOBSA-N 1 3 210.365 2.154 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CC2(C)CCC2)C1 ZINC000261531956 135161556 /nfs/dbraw/zinc/16/15/56/135161556.db2.gz IMSJZIIUFRFYEE-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000261531956 135161557 /nfs/dbraw/zinc/16/15/57/135161557.db2.gz IMSJZIIUFRFYEE-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261531956 135161558 /nfs/dbraw/zinc/16/15/58/135161558.db2.gz IMSJZIIUFRFYEE-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000261532600 135163357 /nfs/dbraw/zinc/16/33/57/135163357.db2.gz JXNUEOUCORBLLO-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000261533589 135165140 /nfs/dbraw/zinc/16/51/40/135165140.db2.gz KZYQOWMVQMICMK-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000261534121 135165943 /nfs/dbraw/zinc/16/59/43/135165943.db2.gz NIVIQGCIOSYNSZ-XQHKEYJVSA-N 1 3 242.432 2.378 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](N)C2)c1C ZINC000261534302 135166817 /nfs/dbraw/zinc/16/68/17/135166817.db2.gz PQMXPQAQYXAQCW-SMDDNHRTSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](N)C2)c1C ZINC000261534302 135166818 /nfs/dbraw/zinc/16/68/18/135166818.db2.gz PQMXPQAQYXAQCW-SMDDNHRTSA-N 1 3 218.344 2.082 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCNC[C@H]2C)CC1 ZINC000261534829 135167848 /nfs/dbraw/zinc/16/78/48/135167848.db2.gz NCCFOCSYULLSJT-POOIEITISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccs1 ZINC000261535068 135168695 /nfs/dbraw/zinc/16/86/95/135168695.db2.gz NRIIARWNIVDMOJ-GARJFASQSA-N 1 3 224.373 2.397 20 0 BEADHO NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000261535802 135170489 /nfs/dbraw/zinc/17/04/89/135170489.db2.gz PGAKKJXSOOJLNE-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261535802 135170491 /nfs/dbraw/zinc/17/04/91/135170491.db2.gz PGAKKJXSOOJLNE-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CCC2CCCC2)C1 ZINC000261535802 135170492 /nfs/dbraw/zinc/17/04/92/135170492.db2.gz PGAKKJXSOOJLNE-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000261536363 135171637 /nfs/dbraw/zinc/17/16/37/135171637.db2.gz RJROZGJAIQMICC-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N(C)C[C@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543743 135184447 /nfs/dbraw/zinc/18/44/47/135184447.db2.gz ICLORWCZVGKEHU-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CCC[C@H](CN)C1 ZINC000261555408 135195443 /nfs/dbraw/zinc/19/54/43/135195443.db2.gz UXAMVHGLYGSGNO-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CCC(C)(C)CC[N@H+]1CCC[C@H](CN)C1 ZINC000261555408 135195444 /nfs/dbraw/zinc/19/54/44/135195444.db2.gz UXAMVHGLYGSGNO-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1[C@H]([NH3+])CCN1c1ccnc2ccccc21 ZINC000261556772 135196830 /nfs/dbraw/zinc/19/68/30/135196830.db2.gz RAJLZYZSAUFQMG-ZYHUDNBSSA-N 1 3 227.311 2.161 20 0 BEADHO Cc1ccccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561707 135202712 /nfs/dbraw/zinc/20/27/12/135202712.db2.gz VRTWUIFDHCVLAI-DZGCQCFKSA-N 1 3 230.355 2.036 20 0 BEADHO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c2ccccc2n1 ZINC000261562598 135204562 /nfs/dbraw/zinc/20/45/62/135204562.db2.gz GNFVTDZSDCNIIE-DGCLKSJQSA-N 1 3 241.338 2.469 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(C)(C)O ZINC000261565390 135207968 /nfs/dbraw/zinc/20/79/68/135207968.db2.gz YHTZCBYCWZMHEN-STQMWFEESA-N 1 3 242.407 2.048 20 0 BEADHO Cc1ccccc1C[C@H](C)N[C@H](C)[C@@H](C)[NH3+] ZINC000261568618 135209967 /nfs/dbraw/zinc/20/99/67/135209967.db2.gz FQOYLXKHECKHQT-YNEHKIRRSA-N 1 3 220.360 2.251 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261569196 135211199 /nfs/dbraw/zinc/21/11/99/135211199.db2.gz JPTRGPMHCOVEIA-ARFHVFGLSA-N 1 3 244.382 2.473 20 0 BEADHO NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000084329936 135211573 /nfs/dbraw/zinc/21/15/73/135211573.db2.gz HOIPREYUBPDENA-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329936 135211575 /nfs/dbraw/zinc/21/15/75/135211575.db2.gz HOIPREYUBPDENA-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](N)[C@@H]2C)c1 ZINC000261570706 135213419 /nfs/dbraw/zinc/21/34/19/135213419.db2.gz HCOYWZSBPURHKL-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N)[C@@H]2C)c1 ZINC000261570706 135213421 /nfs/dbraw/zinc/21/34/21/135213421.db2.gz HCOYWZSBPURHKL-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCNC[C@H]2C)c1 ZINC000261571597 135213691 /nfs/dbraw/zinc/21/36/91/135213691.db2.gz HOQAGQXZIZVGDP-OCCSQVGLSA-N 1 3 218.344 2.083 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C[C@@H](C)C1 ZINC000261576031 135217357 /nfs/dbraw/zinc/21/73/57/135217357.db2.gz KBEUSITWVORGFM-MEBFFEOJSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@H](N)[C@@H]2C)c(C)c1 ZINC000261579234 135219776 /nfs/dbraw/zinc/21/97/76/135219776.db2.gz MGCLVKJCRNLOPU-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H]2C)c(C)c1 ZINC000261579234 135219778 /nfs/dbraw/zinc/21/97/78/135219778.db2.gz MGCLVKJCRNLOPU-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@H](CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581615 135222839 /nfs/dbraw/zinc/22/28/39/135222839.db2.gz QUQXQJTYSSOGPQ-ZBFHGGJFSA-N 1 3 244.382 2.476 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261583455 135224151 /nfs/dbraw/zinc/22/41/51/135224151.db2.gz RUAYTSLCBHWOSE-CABCVRRESA-N 1 3 244.382 2.345 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000261584114 135224769 /nfs/dbraw/zinc/22/47/69/135224769.db2.gz SCKFFWXHOUAKSU-DAXOMENPSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000261584119 135225203 /nfs/dbraw/zinc/22/52/03/135225203.db2.gz SCKFFWXHOUAKSU-WQVCFCJDSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000261592951 135233310 /nfs/dbraw/zinc/23/33/10/135233310.db2.gz WKDRGNXIDPLEGJ-YIYPIFLZSA-N 1 3 224.392 2.400 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261548068 135241605 /nfs/dbraw/zinc/24/16/05/135241605.db2.gz JBCCGAUFHWRMHZ-CHWSQXEVSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714630 135247339 /nfs/dbraw/zinc/24/73/39/135247339.db2.gz FBDCNGKZOCFCTC-GXTWGEPZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC(C)(C)C1 ZINC000261714633 135247447 /nfs/dbraw/zinc/24/74/47/135247447.db2.gz FBDCNGKZOCFCTC-JSGCOSHPSA-N 1 3 224.392 2.354 20 0 BEADHO COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000261787632 135252477 /nfs/dbraw/zinc/25/24/77/135252477.db2.gz FYYJGFKQUCXKPM-JSGCOSHPSA-N 1 3 248.370 2.173 20 0 BEADHO C(C1CC1)[N@H+](C[C@H]1CCCNC1)C1CCC1 ZINC000261790083 135253851 /nfs/dbraw/zinc/25/38/51/135253851.db2.gz GBYGOTALQXPDSS-ZDUSSCGKSA-N 1 3 222.376 2.251 20 0 BEADHO C(C1CC1)[N@@H+](C[C@H]1CCCNC1)C1CCC1 ZINC000261790083 135253854 /nfs/dbraw/zinc/25/38/54/135253854.db2.gz GBYGOTALQXPDSS-ZDUSSCGKSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000261815029 135255504 /nfs/dbraw/zinc/25/55/04/135255504.db2.gz HXOHQEZCLLSPRD-BNOWGMLFSA-N 1 3 248.345 2.080 20 0 BEADHO C[C@H]1C[C@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261948513 135265566 /nfs/dbraw/zinc/26/55/66/135265566.db2.gz NNXTWXZFEUVSCU-AAEUAGOBSA-N 1 3 222.376 2.106 20 0 BEADHO C[C@H](CN1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000261953063 135266507 /nfs/dbraw/zinc/26/65/07/135266507.db2.gz OGIRYWHIWMHQAF-LLVKDONJSA-N 1 3 236.334 2.352 20 0 BEADHO CC(C)[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261984046 135269520 /nfs/dbraw/zinc/26/95/20/135269520.db2.gz JMJBEQXJISNDLP-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261982462 135269690 /nfs/dbraw/zinc/26/96/90/135269690.db2.gz RNYHWSMDDPKJTN-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261982462 135269691 /nfs/dbraw/zinc/26/96/91/135269691.db2.gz RNYHWSMDDPKJTN-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[N@H+](C[C@H]2CCCNC2)CC(C)(C)C1 ZINC000261985109 135269735 /nfs/dbraw/zinc/26/97/35/135269735.db2.gz RVGZBQXHIWFXSL-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[N@@H+](C[C@H]2CCCNC2)CC(C)(C)C1 ZINC000261985109 135269736 /nfs/dbraw/zinc/26/97/36/135269736.db2.gz RVGZBQXHIWFXSL-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)s1 ZINC000335007930 135864177 /nfs/dbraw/zinc/86/41/77/135864177.db2.gz BPXFOURJFLNLPS-WDEREUQCSA-N 1 3 210.346 2.026 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccs1 ZINC000335219644 135960008 /nfs/dbraw/zinc/96/00/08/135960008.db2.gz UNCJWUNSANICJT-PWSUYJOCSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000335356514 136061656 /nfs/dbraw/zinc/06/16/56/136061656.db2.gz DKUGESOVWICPHD-IUODEOHRSA-N 1 3 247.386 2.007 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335356514 136061657 /nfs/dbraw/zinc/06/16/57/136061657.db2.gz DKUGESOVWICPHD-IUODEOHRSA-N 1 3 247.386 2.007 20 0 BEADHO CC(C)(C)N1CCC([NH2+][C@@H]2C[C@H]2C(F)F)CC1 ZINC000348296406 136062867 /nfs/dbraw/zinc/06/28/67/136062867.db2.gz VZYNNEHGCJUVJV-GHMZBOCLSA-N 1 3 246.345 2.493 20 0 BEADHO FC1(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000348336941 136075645 /nfs/dbraw/zinc/07/56/45/136075645.db2.gz SPPNAIRNRHNKEM-QWHCGFSZSA-N 1 3 240.366 2.485 20 0 BEADHO FC1(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000348336941 136075646 /nfs/dbraw/zinc/07/56/46/136075646.db2.gz SPPNAIRNRHNKEM-QWHCGFSZSA-N 1 3 240.366 2.485 20 0 BEADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCNCC1 ZINC000335568954 136108977 /nfs/dbraw/zinc/10/89/77/136108977.db2.gz PCZKTZUIPVQUGA-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(N)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000335598671 136114021 /nfs/dbraw/zinc/11/40/21/136114021.db2.gz LGGCNCWWQSMPNN-CYBMUJFWSA-N 1 3 233.359 2.260 20 0 BEADHO CC(C)CN1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000053655363 166970545 /nfs/dbraw/zinc/97/05/45/166970545.db2.gz BBEMWUVCCKVSRN-CYBMUJFWSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121271 397801067 /nfs/dbraw/zinc/80/10/67/397801067.db2.gz SBWSGUJIOLOLOM-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](CCO)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000397616106 397883398 /nfs/dbraw/zinc/88/33/98/397883398.db2.gz FFVFISZJZVLREW-NILFDRSVSA-N 1 3 248.370 2.129 20 0 BEADHO C[NH+](C)CCC1CCN(Cc2ccccn2)CC1 ZINC000264303433 397919599 /nfs/dbraw/zinc/91/95/99/397919599.db2.gz WPOJIPIIIBWIAK-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO CC(C)CCC[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000165030488 398002320 /nfs/dbraw/zinc/00/23/20/398002320.db2.gz AVYBVBKYXPLCCL-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CCC[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000165030488 398002322 /nfs/dbraw/zinc/00/23/22/398002322.db2.gz AVYBVBKYXPLCCL-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657551 398006002 /nfs/dbraw/zinc/00/60/02/398006002.db2.gz HQYGHMLFZCKXMH-XRGAULLZSA-N 1 3 244.382 2.459 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657551 398006004 /nfs/dbraw/zinc/00/60/04/398006004.db2.gz HQYGHMLFZCKXMH-XRGAULLZSA-N 1 3 244.382 2.459 20 0 BEADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000383673453 398034741 /nfs/dbraw/zinc/03/47/41/398034741.db2.gz AABBQKYUVTZBIO-BPLDGKMQSA-N 1 3 236.403 2.354 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccccc1F ZINC000414851554 398059564 /nfs/dbraw/zinc/05/95/64/398059564.db2.gz PISVINQRJWRIIA-NEPJUHHUSA-N 1 3 238.350 2.202 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccccc1F ZINC000414875193 398077742 /nfs/dbraw/zinc/07/77/42/398077742.db2.gz JLBDGTIVOOZSOP-VXGBXAGGSA-N 1 3 238.350 2.331 20 0 BEADHO CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000313148075 398094868 /nfs/dbraw/zinc/09/48/68/398094868.db2.gz KCZRBEDUXQFOLH-AJNGGQMLSA-N 1 3 248.370 2.270 20 0 BEADHO CCN(CC)CCC[N@H+](CC)[C@@H]1CCCOC1 ZINC000649755395 398086211 /nfs/dbraw/zinc/08/62/11/398086211.db2.gz MVAKSJBRKKCUFD-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)[C@@H]1CCCOC1 ZINC000649755395 398086215 /nfs/dbraw/zinc/08/62/15/398086215.db2.gz MVAKSJBRKKCUFD-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[NH2+]CC1(COC)CCC1 ZINC000383948488 398052942 /nfs/dbraw/zinc/05/29/42/398052942.db2.gz WCNSCEQWGJKPHB-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414850666 398057729 /nfs/dbraw/zinc/05/77/29/398057729.db2.gz ZRCNABHJIVZELA-ZIAGYGMSSA-N 1 3 234.387 2.310 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCCNCC1 ZINC000128908219 398097803 /nfs/dbraw/zinc/09/78/03/398097803.db2.gz CDVUKLZHBLNSSX-OLZOCXBDSA-N 1 3 236.359 2.332 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H]1CCC[NH2+]CC1 ZINC000128908219 398097806 /nfs/dbraw/zinc/09/78/06/398097806.db2.gz CDVUKLZHBLNSSX-OLZOCXBDSA-N 1 3 236.359 2.332 20 0 BEADHO CSCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000229207839 398113031 /nfs/dbraw/zinc/11/30/31/398113031.db2.gz MSXDMBAIMLCMNU-RYUDHWBXSA-N 1 3 230.421 2.237 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007138 398125050 /nfs/dbraw/zinc/12/50/50/398125050.db2.gz FOXSRJAFCZKDQA-YPMHNXCESA-N 1 3 222.376 2.426 20 0 BEADHO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCCNC ZINC000310032345 171380961 /nfs/dbraw/zinc/38/09/61/171380961.db2.gz RLBATALYANPPQC-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCNC[C@H]1C ZINC000398111062 322864286 /nfs/dbraw/zinc/86/42/86/322864286.db2.gz XETCOIZCYZINFU-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]CCCNC(C)C ZINC000238170353 487570616 /nfs/dbraw/zinc/57/06/16/487570616.db2.gz XSKRJKIGPIICNC-GFCCVEGCSA-N 1 3 200.370 2.399 20 0 BEADHO NCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000334859481 487571818 /nfs/dbraw/zinc/57/18/18/487571818.db2.gz ZBOWYESBRNDSMN-ZDUSSCGKSA-N 1 3 208.349 2.158 20 0 BEADHO NCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000334859481 487571828 /nfs/dbraw/zinc/57/18/28/487571828.db2.gz ZBOWYESBRNDSMN-ZDUSSCGKSA-N 1 3 208.349 2.158 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CS[C@H](C)C1 ZINC000086934275 487589478 /nfs/dbraw/zinc/58/94/78/487589478.db2.gz VCPYSZORGYMAER-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000086934275 487589483 /nfs/dbraw/zinc/58/94/83/487589483.db2.gz VCPYSZORGYMAER-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000668820997 487596487 /nfs/dbraw/zinc/59/64/87/487596487.db2.gz ZZCGQSMIIVMAOT-VHDGCEQUSA-N 1 3 236.403 2.354 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cccs3)[C@@H]2C1 ZINC001651698261 1172976002 /nfs/dbraw/zinc/97/60/02/1172976002.db2.gz UDYXAXLYVBCINI-UHTWSYAYSA-N 1 3 236.384 2.178 20 0 BEADHO COc1ccc2c(c1)CN(CC1CC[NH2+]CC1)C2 ZINC000058012248 487601143 /nfs/dbraw/zinc/60/11/43/487601143.db2.gz PVQUROPEVSCTSM-UHFFFAOYSA-N 1 3 246.354 2.010 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662318397 409636365 /nfs/dbraw/zinc/63/63/65/409636365.db2.gz ZQUHWOWGAVSRIQ-DZGCQCFKSA-N 1 3 236.403 2.498 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662318397 409636370 /nfs/dbraw/zinc/63/63/70/409636370.db2.gz ZQUHWOWGAVSRIQ-DZGCQCFKSA-N 1 3 236.403 2.498 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317787 409637344 /nfs/dbraw/zinc/63/73/44/409637344.db2.gz SIYYLTAUIFKQCK-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNCCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662317787 409637351 /nfs/dbraw/zinc/63/73/51/409637351.db2.gz SIYYLTAUIFKQCK-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]CCCN1CCC[C@H](C2CCC2)C1 ZINC000662317787 409637358 /nfs/dbraw/zinc/63/73/58/409637358.db2.gz SIYYLTAUIFKQCK-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C1=CCC(CN2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662277646 409593084 /nfs/dbraw/zinc/59/30/84/409593084.db2.gz RGKZAFRQGYXUSH-AWEZNQCLSA-N 1 3 220.360 2.028 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650703280 410334640 /nfs/dbraw/zinc/33/46/40/410334640.db2.gz SNYHTYYKMFNUCV-GXTWGEPZSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703862 410336397 /nfs/dbraw/zinc/33/63/97/410336397.db2.gz VOULDSMBYVILMX-BLLLJJGKSA-N 1 3 244.382 2.263 20 0 BEADHO [NH3+]CC1(CCNCc2c(F)cccc2F)CC1 ZINC000650712301 410341853 /nfs/dbraw/zinc/34/18/53/410341853.db2.gz ZNVUUSUUTOBLBR-UHFFFAOYSA-N 1 3 240.297 2.183 20 0 BEADHO [NH3+]CC1(CCNCc2cc(F)ccc2F)CC1 ZINC000650712515 410342710 /nfs/dbraw/zinc/34/27/10/410342710.db2.gz HKZQHDRWQKCBFD-UHFFFAOYSA-N 1 3 240.297 2.183 20 0 BEADHO C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)[C@H]1C ZINC000650755589 410402073 /nfs/dbraw/zinc/40/20/73/410402073.db2.gz IJUDNPHNKKEECP-BFVZDQMLSA-N 1 3 236.334 2.419 20 0 BEADHO CC(C)OC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000309579223 167263770 /nfs/dbraw/zinc/26/37/70/167263770.db2.gz PWEWSLGBHJYDJE-ZDUSSCGKSA-N 1 3 230.396 2.120 20 0 BEADHO CC(C)SCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304325759 167333678 /nfs/dbraw/zinc/33/36/78/167333678.db2.gz SVLFBSJFILVEQY-QWHCGFSZSA-N 1 3 242.432 2.344 20 0 BEADHO CC(C)SCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304325759 167333680 /nfs/dbraw/zinc/33/36/80/167333680.db2.gz SVLFBSJFILVEQY-QWHCGFSZSA-N 1 3 242.432 2.344 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CCCSC1 ZINC000651866183 411147987 /nfs/dbraw/zinc/14/79/87/411147987.db2.gz XYJALLPHXGBNOT-CYBMUJFWSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCCSC1 ZINC000651866183 411147988 /nfs/dbraw/zinc/14/79/88/411147988.db2.gz XYJALLPHXGBNOT-CYBMUJFWSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCSC1 ZINC000651866183 411147989 /nfs/dbraw/zinc/14/79/89/411147989.db2.gz XYJALLPHXGBNOT-CYBMUJFWSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000651865840 411148025 /nfs/dbraw/zinc/14/80/25/411148025.db2.gz JIGJQFKVQSUWIK-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CCO[C@H](C)C1 ZINC000651865840 411148026 /nfs/dbraw/zinc/14/80/26/411148026.db2.gz JIGJQFKVQSUWIK-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CCO[C@H](C)C1 ZINC000651865840 411148027 /nfs/dbraw/zinc/14/80/27/411148027.db2.gz JIGJQFKVQSUWIK-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000651865839 411148080 /nfs/dbraw/zinc/14/80/80/411148080.db2.gz JIGJQFKVQSUWIK-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CCO[C@@H](C)C1 ZINC000651865839 411148081 /nfs/dbraw/zinc/14/80/81/411148081.db2.gz JIGJQFKVQSUWIK-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CCO[C@@H](C)C1 ZINC000651865839 411148082 /nfs/dbraw/zinc/14/80/82/411148082.db2.gz JIGJQFKVQSUWIK-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]1CCCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000652193084 411168712 /nfs/dbraw/zinc/16/87/12/411168712.db2.gz VLYIQPVSULRGMD-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009879 411172746 /nfs/dbraw/zinc/17/27/46/411172746.db2.gz CIIKLEYYTBMOOL-HUUCEWRRSA-N 1 3 234.387 2.369 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009879 411172747 /nfs/dbraw/zinc/17/27/47/411172747.db2.gz CIIKLEYYTBMOOL-HUUCEWRRSA-N 1 3 234.387 2.369 20 0 BEADHO COC(C)(C)[C@@H](C)NCCC[N@H+](C)CC(C)C ZINC000652222379 411175369 /nfs/dbraw/zinc/17/53/69/411175369.db2.gz MTFKSSAOYZYKTB-CYBMUJFWSA-N 1 3 244.423 2.367 20 0 BEADHO COC(C)(C)[C@@H](C)NCCC[N@@H+](C)CC(C)C ZINC000652222379 411175373 /nfs/dbraw/zinc/17/53/73/411175373.db2.gz MTFKSSAOYZYKTB-CYBMUJFWSA-N 1 3 244.423 2.367 20 0 BEADHO COC(C)(C)[C@@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652222379 411175374 /nfs/dbraw/zinc/17/53/74/411175374.db2.gz MTFKSSAOYZYKTB-CYBMUJFWSA-N 1 3 244.423 2.367 20 0 BEADHO COC[C@H](NCCC[N@H+](C)CC(C)C)C(C)C ZINC000652221995 411175659 /nfs/dbraw/zinc/17/56/59/411175659.db2.gz BTPGNTAPPRKIQH-AWEZNQCLSA-N 1 3 244.423 2.225 20 0 BEADHO COC[C@H](NCCC[N@@H+](C)CC(C)C)C(C)C ZINC000652221995 411175660 /nfs/dbraw/zinc/17/56/60/411175660.db2.gz BTPGNTAPPRKIQH-AWEZNQCLSA-N 1 3 244.423 2.225 20 0 BEADHO COC[C@H]([NH2+]CCCN(C)CC(C)C)C(C)C ZINC000652221995 411175663 /nfs/dbraw/zinc/17/56/63/411175663.db2.gz BTPGNTAPPRKIQH-AWEZNQCLSA-N 1 3 244.423 2.225 20 0 BEADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000656193077 411198372 /nfs/dbraw/zinc/19/83/72/411198372.db2.gz MBIBRLDNEOWSQN-CHWSQXEVSA-N 1 3 242.407 2.035 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000656193357 411200674 /nfs/dbraw/zinc/20/06/74/411200674.db2.gz HQIKJLAGKGSRCB-TYUFSLCMSA-N 1 3 228.355 2.374 20 0 BEADHO Cc1cccc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)n1 ZINC000656199179 411201449 /nfs/dbraw/zinc/20/14/49/411201449.db2.gz VIVVZQHGILHZEK-HIFRSBDPSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccc(CCCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656199179 411201452 /nfs/dbraw/zinc/20/14/52/411201452.db2.gz VIVVZQHGILHZEK-HIFRSBDPSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CNC1 ZINC000656201956 411208058 /nfs/dbraw/zinc/20/80/58/411208058.db2.gz VUEKZNURSFHTJN-UWVGGRQHSA-N 1 3 246.345 2.398 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCOC1CCCC1 ZINC000422827471 411232620 /nfs/dbraw/zinc/23/26/20/411232620.db2.gz MZNRJNUXAGGTCV-NEPJUHHUSA-N 1 3 228.380 2.051 20 0 BEADHO C[C@H](NCC1(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000422905155 411233836 /nfs/dbraw/zinc/23/38/36/411233836.db2.gz YQXGYNGOJDXEPV-NSHDSACASA-N 1 3 248.345 2.055 20 0 BEADHO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CNC1 ZINC000422905155 411233838 /nfs/dbraw/zinc/23/38/38/411233838.db2.gz YQXGYNGOJDXEPV-NSHDSACASA-N 1 3 248.345 2.055 20 0 BEADHO C[C@H]1CC[C@H]([NH2+]CCCN2CCCC2)CS1 ZINC000655694863 411240037 /nfs/dbraw/zinc/24/00/37/411240037.db2.gz HUFTVEBDYQFHOE-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO C[C@H]1CC[C@H](NCCC[NH+]2CCCC2)CS1 ZINC000655694863 411240040 /nfs/dbraw/zinc/24/00/40/411240040.db2.gz HUFTVEBDYQFHOE-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CC(C)[NH+]1CCC(NCCc2ccoc2)CC1 ZINC000658199803 411290289 /nfs/dbraw/zinc/29/02/89/411290289.db2.gz NGAQZAMBXQMSGE-UHFFFAOYSA-N 1 3 236.359 2.285 20 0 BEADHO CC[N@@H+]1CC[C@H](NCC2=CCCC2)[C@@H](C)C1 ZINC000658292656 411325782 /nfs/dbraw/zinc/32/57/82/411325782.db2.gz FSUIYMCXJKBWPT-JSGCOSHPSA-N 1 3 222.376 2.417 20 0 BEADHO CC[N@H+]1CC[C@H](NCC2=CCCC2)[C@@H](C)C1 ZINC000658292656 411325783 /nfs/dbraw/zinc/32/57/83/411325783.db2.gz FSUIYMCXJKBWPT-JSGCOSHPSA-N 1 3 222.376 2.417 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCC2=CCCC2)[C@H](C)C1 ZINC000658292658 411326083 /nfs/dbraw/zinc/32/60/83/411326083.db2.gz FSUIYMCXJKBWPT-TZMCWYRMSA-N 1 3 222.376 2.417 20 0 BEADHO CC[N@H+]1CC[C@@H](NCC2=CCCC2)[C@H](C)C1 ZINC000658292658 411326086 /nfs/dbraw/zinc/32/60/86/411326086.db2.gz FSUIYMCXJKBWPT-TZMCWYRMSA-N 1 3 222.376 2.417 20 0 BEADHO C[NH+](C)C1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659839905 411326321 /nfs/dbraw/zinc/32/63/21/411326321.db2.gz ZYDKGPZHZNZGNW-HZSPNIEDSA-N 1 3 236.403 2.449 20 0 BEADHO C[N@H+](C[C@@H]1CCOc2ccccc21)CC(C)(C)N ZINC000656784622 411361367 /nfs/dbraw/zinc/36/13/67/411361367.db2.gz FXKGLOYPXMSGLR-LBPRGKRZSA-N 1 3 248.370 2.222 20 0 BEADHO C[N@@H+](C[C@@H]1CCOc2ccccc21)CC(C)(C)N ZINC000656784622 411361370 /nfs/dbraw/zinc/36/13/70/411361370.db2.gz FXKGLOYPXMSGLR-LBPRGKRZSA-N 1 3 248.370 2.222 20 0 BEADHO CC1(C)C[N@H+](CCCN)CCc2ccccc21 ZINC000656787729 411367148 /nfs/dbraw/zinc/36/71/48/411367148.db2.gz SVPLGVPJOKFEBR-UHFFFAOYSA-N 1 3 232.371 2.171 20 0 BEADHO CC1(C)C[N@@H+](CCCN)CCc2ccccc21 ZINC000656787729 411367150 /nfs/dbraw/zinc/36/71/50/411367150.db2.gz SVPLGVPJOKFEBR-UHFFFAOYSA-N 1 3 232.371 2.171 20 0 BEADHO CC1(C)CN(CCC[NH3+])CCc2ccccc21 ZINC000656787729 411367152 /nfs/dbraw/zinc/36/71/52/411367152.db2.gz SVPLGVPJOKFEBR-UHFFFAOYSA-N 1 3 232.371 2.171 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)C[C@@H]1C ZINC000656787995 411367251 /nfs/dbraw/zinc/36/72/51/411367251.db2.gz DALAORDJZASFSE-CRWXNKLISA-N 1 3 224.392 2.399 20 0 BEADHO [NH3+]C1(CNC2Cc3ccccc3C2)CCCC1 ZINC000656789776 411370239 /nfs/dbraw/zinc/37/02/39/411370239.db2.gz YBSSXWAVRHKAIZ-UHFFFAOYSA-N 1 3 230.355 2.015 20 0 BEADHO C[NH2+]CCC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000070188968 411371468 /nfs/dbraw/zinc/37/14/68/411371468.db2.gz PCQBNLCVZDLKKQ-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](CN1CC[C@H]2C[C@H]2C1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974284 411341571 /nfs/dbraw/zinc/34/15/71/411341571.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 1 3 248.414 2.306 20 0 BEADHO C[C@H](CN1CC[C@H]2C[C@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974284 411341574 /nfs/dbraw/zinc/34/15/74/411341574.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 1 3 248.414 2.306 20 0 BEADHO C[C@@H](CN1CC[C@@H]2C[C@@H]2C1)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974284 411341576 /nfs/dbraw/zinc/34/15/76/411341576.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 1 3 248.414 2.306 20 0 BEADHO C[C@@H](CN1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661974284 411341578 /nfs/dbraw/zinc/34/15/78/411341578.db2.gz VSSSVRQTAOLSOC-FRXHMLBDSA-N 1 3 248.414 2.306 20 0 BEADHO C[C@]1(CN2CCC[C@H](CCF)C2)CC[NH2+]C1 ZINC000656792228 411372334 /nfs/dbraw/zinc/37/23/34/411372334.db2.gz PUHYGXMZPWHWJN-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO CC(C)(N)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656792157 411372356 /nfs/dbraw/zinc/37/23/56/411372356.db2.gz OQCUVYDZBXVULE-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)(N)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656792157 411372360 /nfs/dbraw/zinc/37/23/60/411372360.db2.gz OQCUVYDZBXVULE-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(CN2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000336631957 168023850 /nfs/dbraw/zinc/02/38/50/168023850.db2.gz AWFNHJQCAKIOKT-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO CC1CC([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000309447293 168145128 /nfs/dbraw/zinc/14/51/28/168145128.db2.gz LQRVXZDCVSBWDQ-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1CN(CC2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000232859558 168152710 /nfs/dbraw/zinc/15/27/10/168152710.db2.gz IDYCQYCDURYUMF-MVKMKZAISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CN(CC2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000232859335 168152786 /nfs/dbraw/zinc/15/27/86/168152786.db2.gz IDYCQYCDURYUMF-KPFVRQRISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCC(C)CC1 ZINC000126796121 168153421 /nfs/dbraw/zinc/15/34/21/168153421.db2.gz UGWOEEBBRLWTCZ-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCC(C)CC1 ZINC000126796121 168153423 /nfs/dbraw/zinc/15/34/23/168153423.db2.gz UGWOEEBBRLWTCZ-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(C[N@@H+]2CC[C@H](N)[C@@H](C)C2)CC1 ZINC000221097770 168153936 /nfs/dbraw/zinc/15/39/36/168153936.db2.gz MKTSOJLVKAKZHW-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(C[N@H+]2CC[C@H](N)[C@@H](C)C2)CC1 ZINC000221097770 168153938 /nfs/dbraw/zinc/15/39/38/168153938.db2.gz MKTSOJLVKAKZHW-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(CN2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000221097770 168153939 /nfs/dbraw/zinc/15/39/39/168153939.db2.gz MKTSOJLVKAKZHW-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO CC1(C)C[C@@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000070346241 411391945 /nfs/dbraw/zinc/39/19/45/411391945.db2.gz JFKFUQGOVUVUJN-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO CCC(C)(C)CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566190 168276175 /nfs/dbraw/zinc/27/61/75/168276175.db2.gz XWDARNGXPADGLW-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CCC2)[C@@H]1CCN ZINC000404392555 411393149 /nfs/dbraw/zinc/39/31/49/411393149.db2.gz YWNJMKYYKWIFNA-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CCC2)[C@@H]1CCN ZINC000404392555 411393151 /nfs/dbraw/zinc/39/31/51/411393151.db2.gz YWNJMKYYKWIFNA-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CCO[C@@H]1CN(CCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000405544728 411434412 /nfs/dbraw/zinc/43/44/12/411434412.db2.gz VICQWUOCIDJROV-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO CCO[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CN ZINC000405544728 411434414 /nfs/dbraw/zinc/43/44/14/411434414.db2.gz VICQWUOCIDJROV-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO CCO[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CN ZINC000405544728 411434416 /nfs/dbraw/zinc/43/44/16/411434416.db2.gz VICQWUOCIDJROV-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO CCc1cc(OC)ccc1CNCC[C@H](C)[NH3+] ZINC000414824174 411447840 /nfs/dbraw/zinc/44/78/40/411447840.db2.gz QEVRVFDFNYFPKR-NSHDSACASA-N 1 3 236.359 2.085 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2CO[C@@H](CC)C2)CC1 ZINC000657294021 411450158 /nfs/dbraw/zinc/45/01/58/411450158.db2.gz AHVGVGGPEYOXSV-KBPBESRZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](CNCC(C)(C)[NH3+])Cc1cccs1 ZINC000415088257 411491820 /nfs/dbraw/zinc/49/18/20/411491820.db2.gz VZQMFTGAKOXOFY-SNVBAGLBSA-N 1 3 226.389 2.254 20 0 BEADHO C[C@@H](C[NH2+]C1CCNCC1)Cc1cccs1 ZINC000415089036 411491885 /nfs/dbraw/zinc/49/18/85/411491885.db2.gz XDFRKALVVPICBF-LLVKDONJSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](CNC1CC[NH2+]CC1)Cc1cccs1 ZINC000415089036 411491887 /nfs/dbraw/zinc/49/18/87/411491887.db2.gz XDFRKALVVPICBF-LLVKDONJSA-N 1 3 238.400 2.268 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037644022 170008113 /nfs/dbraw/zinc/00/81/13/170008113.db2.gz HHPYPQBUVMMREZ-STQMWFEESA-N 1 3 233.359 2.074 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000037643773 170015875 /nfs/dbraw/zinc/01/58/75/170015875.db2.gz BYAAHDAHARGDLY-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000037484274 170015899 /nfs/dbraw/zinc/01/58/99/170015899.db2.gz MHZUPRZVHCWLDL-UONOGXRCSA-N 1 3 222.376 2.274 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657734110 411587816 /nfs/dbraw/zinc/58/78/16/411587816.db2.gz FNPDESKYLFJAOM-XGFWRYKXSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657734110 411587817 /nfs/dbraw/zinc/58/78/17/411587817.db2.gz FNPDESKYLFJAOM-XGFWRYKXSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000657734110 411587819 /nfs/dbraw/zinc/58/78/19/411587819.db2.gz FNPDESKYLFJAOM-XGFWRYKXSA-N 1 3 220.360 2.001 20 0 BEADHO c1coc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000657781643 411597671 /nfs/dbraw/zinc/59/76/71/411597671.db2.gz FOAJYVQJXKACJN-ZIAGYGMSSA-N 1 3 248.370 2.429 20 0 BEADHO c1coc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000657781643 411597673 /nfs/dbraw/zinc/59/76/73/411597673.db2.gz FOAJYVQJXKACJN-ZIAGYGMSSA-N 1 3 248.370 2.429 20 0 BEADHO CCN(CC)CCC[NH2+]C1(CCO)CCCC1 ZINC000660682050 411617070 /nfs/dbraw/zinc/61/70/70/411617070.db2.gz FGACPWRSKAGFRU-UHFFFAOYSA-N 1 3 242.407 2.003 20 0 BEADHO CC[C@@H](c1ccccc1)N(C)CCC[NH3+] ZINC000133205499 411655093 /nfs/dbraw/zinc/65/50/93/411655093.db2.gz YMVPUMNMZBQZQB-ZDUSSCGKSA-N 1 3 206.333 2.418 20 0 BEADHO CCCC[C@H](CC)[NH2+]CC12CC(C1)CN2 ZINC000663498551 411681286 /nfs/dbraw/zinc/68/12/86/411681286.db2.gz PWFCBOQEWWUUDB-CPCZMJQVSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@H](CC)NCC12CC(C1)C[NH2+]2 ZINC000663498551 411681289 /nfs/dbraw/zinc/68/12/89/411681289.db2.gz PWFCBOQEWWUUDB-CPCZMJQVSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CC([NH2+]CC23CC(C2)CN3)C[C@@H](C)C1 ZINC000663498337 411682142 /nfs/dbraw/zinc/68/21/42/411682142.db2.gz OURDELYRLSLSEO-PZFKGIAWSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC(NCC23CC(C2)C[NH2+]3)C[C@@H](C)C1 ZINC000663498337 411682148 /nfs/dbraw/zinc/68/21/48/411682148.db2.gz OURDELYRLSLSEO-PZFKGIAWSA-N 1 3 222.376 2.153 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660933308 411684126 /nfs/dbraw/zinc/68/41/26/411684126.db2.gz OQPIICOSEABOCN-IHRRRGAJSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660933308 411684129 /nfs/dbraw/zinc/68/41/29/411684129.db2.gz OQPIICOSEABOCN-IHRRRGAJSA-N 1 3 222.376 2.345 20 0 BEADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)c1ccccc1 ZINC000663499506 411684395 /nfs/dbraw/zinc/68/43/95/411684395.db2.gz XFKBESQYPCTJPU-OPFPJEHXSA-N 1 3 230.355 2.132 20 0 BEADHO CC(C)CCC[NH2+]CC[C@@H](N)C(C)C ZINC000663503366 411688010 /nfs/dbraw/zinc/68/80/10/411688010.db2.gz QEUZPVSUWGANQW-GFCCVEGCSA-N 1 3 200.370 2.386 20 0 BEADHO C[NH2+]C[C@H](C)NC[C@@H]1CCCC(C)(C)C1 ZINC000663508780 411689543 /nfs/dbraw/zinc/68/95/43/411689543.db2.gz DKTRKYZICCPUJJ-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CCC[C@H](CN[C@H](C)C[NH2+]C)C1 ZINC000663509430 411691656 /nfs/dbraw/zinc/69/16/56/411691656.db2.gz KJZZZCXZHMZLNL-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO CN1CC=C(CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000663776369 411744548 /nfs/dbraw/zinc/74/45/48/411744548.db2.gz RCSOLKHCKCDUCC-UHFFFAOYSA-N 1 3 242.326 2.237 20 0 BEADHO C[C@H]1CN(CCCC2CCC2)CC[C@@H]1[NH3+] ZINC000662246975 412045168 /nfs/dbraw/zinc/04/51/68/412045168.db2.gz XOMQADSQKJIGDI-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO CCC(CC)(CC)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662259204 412054436 /nfs/dbraw/zinc/05/44/36/412054436.db2.gz RVGPTCRIUOSXEH-LBPRGKRZSA-N 1 3 240.391 2.066 20 0 BEADHO CC[C@H]1C[N@H+](CC2CC=CC2)CC[C@H]1N ZINC000662270852 412063662 /nfs/dbraw/zinc/06/36/62/412063662.db2.gz PZZXQZTUMOPXIU-QWHCGFSZSA-N 1 3 208.349 2.012 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1N ZINC000662270852 412063666 /nfs/dbraw/zinc/06/36/66/412063666.db2.gz PZZXQZTUMOPXIU-QWHCGFSZSA-N 1 3 208.349 2.012 20 0 BEADHO CO[C@H](C[N@@H+]1CCCC[C@@H]1CCN)C1CCC1 ZINC000662272589 412063980 /nfs/dbraw/zinc/06/39/80/412063980.db2.gz GVECBOWEVMPQIZ-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO CO[C@H](C[N@H+]1CCCC[C@@H]1CCN)C1CCC1 ZINC000662272589 412063982 /nfs/dbraw/zinc/06/39/82/412063982.db2.gz GVECBOWEVMPQIZ-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1CN ZINC000662280467 412070571 /nfs/dbraw/zinc/07/05/71/412070571.db2.gz FBDDGEJABNCNTD-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1CN ZINC000662280467 412070574 /nfs/dbraw/zinc/07/05/74/412070574.db2.gz FBDDGEJABNCNTD-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CCN(CCCC2CCC2)C[C@@H]1C[NH3+] ZINC000662280467 412070578 /nfs/dbraw/zinc/07/05/78/412070578.db2.gz FBDDGEJABNCNTD-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@H+](CCCC2CCC2)C[C@H]1CN ZINC000662280469 412071102 /nfs/dbraw/zinc/07/11/02/412071102.db2.gz FBDDGEJABNCNTD-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1CN ZINC000662280469 412071104 /nfs/dbraw/zinc/07/11/04/412071104.db2.gz FBDDGEJABNCNTD-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCN(CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662280469 412071107 /nfs/dbraw/zinc/07/11/07/412071107.db2.gz FBDDGEJABNCNTD-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@H](C)CN1CCC([NH2+]C(C)C)CC1 ZINC000120207133 171279972 /nfs/dbraw/zinc/27/99/72/171279972.db2.gz JFBZSXOSEOSVQV-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCCNC ZINC000310032345 171380959 /nfs/dbraw/zinc/38/09/59/171380959.db2.gz RLBATALYANPPQC-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO [NH3+]CC12CC(C1)CN2CCC1CCCCC1 ZINC000662303393 412088952 /nfs/dbraw/zinc/08/89/52/412088952.db2.gz BUQOUPMGMCOIIH-UHFFFAOYSA-N 1 3 222.376 2.380 20 0 BEADHO CNCCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305976 412091641 /nfs/dbraw/zinc/09/16/41/412091641.db2.gz MKWWHFHNTMQODN-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305976 412091644 /nfs/dbraw/zinc/09/16/44/412091644.db2.gz MKWWHFHNTMQODN-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[NH2+]CCCN1CC[C@H](C2CCCCC2)C1 ZINC000662305976 412091648 /nfs/dbraw/zinc/09/16/48/412091648.db2.gz MKWWHFHNTMQODN-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000665242740 412178005 /nfs/dbraw/zinc/17/80/05/412178005.db2.gz JCLYVLMQJXVSEH-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccncc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000665239018 412180594 /nfs/dbraw/zinc/18/05/94/412180594.db2.gz KGJYFWYXDDQNTO-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+]CC1(N)CCCC1 ZINC000665246343 412190998 /nfs/dbraw/zinc/19/09/98/412190998.db2.gz CHDHISTVMJKHAY-LLVKDONJSA-N 1 3 222.332 2.072 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC1CCC1 ZINC000665267233 412210189 /nfs/dbraw/zinc/21/01/89/412210189.db2.gz SIAGYZREEKTJTK-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@]1(CN[C@@H]2CCCCC[C@@H]2[NH3+])CC1(F)F ZINC000665266804 412210278 /nfs/dbraw/zinc/21/02/78/412210278.db2.gz KCAZIQOFVCKVRM-HBNTYKKESA-N 1 3 232.318 2.281 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC1CCC1 ZINC000665267235 412210994 /nfs/dbraw/zinc/21/09/94/412210994.db2.gz SIAGYZREEKTJTK-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccccn1 ZINC000665232386 412170543 /nfs/dbraw/zinc/17/05/43/412170543.db2.gz MBXAMWFBBYHHHM-VNHYZAJKSA-N 1 3 247.386 2.292 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc21 ZINC000422748070 412172697 /nfs/dbraw/zinc/17/26/97/412172697.db2.gz RTYGUKJOYLNZBO-VILKCFAHSA-N 1 3 244.338 2.041 20 0 BEADHO CC1(C)C[C@]1(C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665276054 412219584 /nfs/dbraw/zinc/21/95/84/412219584.db2.gz XOEFDKOVMNPCMZ-LMSJBEHQSA-N 1 3 208.349 2.048 20 0 BEADHO CC[C@H]([NH2+]CC12CC(C1)CN2)C1CCCC1 ZINC000665279791 412220669 /nfs/dbraw/zinc/22/06/69/412220669.db2.gz MIQKBPKJISSIBV-QRMWWUJWSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665279791 412220672 /nfs/dbraw/zinc/22/06/72/412220672.db2.gz MIQKBPKJISSIBV-QRMWWUJWSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279709 412222714 /nfs/dbraw/zinc/22/27/14/412222714.db2.gz KHYUVWHGHPJYED-JJMZSNKZSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279709 412222716 /nfs/dbraw/zinc/22/27/16/412222716.db2.gz KHYUVWHGHPJYED-JJMZSNKZSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665279329 412222875 /nfs/dbraw/zinc/22/28/75/412222875.db2.gz ANAABICCSJWKKR-QJPTWQEYSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H](C)C1CCSCC1 ZINC000665281497 412226670 /nfs/dbraw/zinc/22/66/70/412226670.db2.gz FHILEGOUZKWITE-DGCLKSJQSA-N 1 3 244.448 2.481 20 0 BEADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](N)C(C)C ZINC000665282236 412227949 /nfs/dbraw/zinc/22/79/49/412227949.db2.gz UCBTYBHGPSTFQW-MJBXVCDLSA-N 1 3 242.407 2.155 20 0 BEADHO CO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000665284040 412229223 /nfs/dbraw/zinc/22/92/23/412229223.db2.gz ZKGQUJILDRGBID-SGMGOOAPSA-N 1 3 242.407 2.297 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000665298545 412246172 /nfs/dbraw/zinc/24/61/72/412246172.db2.gz XWYCVXTXYSQIQP-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO C[N@@H+]1CCC[C@@H]2CN(CCC3CC3)CC[C@@H]21 ZINC000335904937 173037241 /nfs/dbraw/zinc/03/72/41/173037241.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CCC[C@@H]2CN(CCC3CC3)CC[C@@H]21 ZINC000335904937 173037243 /nfs/dbraw/zinc/03/72/43/173037243.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000335904937 173037245 /nfs/dbraw/zinc/03/72/45/173037245.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000335904937 173037247 /nfs/dbraw/zinc/03/72/47/173037247.db2.gz NYEYWFWAYBDVLA-KGLIPLIRSA-N 1 3 222.376 2.203 20 0 BEADHO C[NH2+]C1CCN(C[C@H](C)CC(C)C)CC1 ZINC000300885459 173323058 /nfs/dbraw/zinc/32/30/58/173323058.db2.gz JISAGAPJBAVDGJ-GFCCVEGCSA-N 1 3 212.381 2.352 20 0 BEADHO CNC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000300885459 173323060 /nfs/dbraw/zinc/32/30/60/173323060.db2.gz JISAGAPJBAVDGJ-GFCCVEGCSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]CC1CCN(Cc2cccc(F)c2)CC1 ZINC000011889161 173338491 /nfs/dbraw/zinc/33/84/91/173338491.db2.gz HIPTZIXMBVXYFM-UHFFFAOYSA-N 1 3 236.334 2.257 20 0 BEADHO C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000011889192 173338587 /nfs/dbraw/zinc/33/85/87/173338587.db2.gz ILZAKISJFFJMJA-UHFFFAOYSA-N 1 3 248.370 2.127 20 0 BEADHO C[NH2+]C[C@@H]1CCN(Cc2ccccc2C)C1 ZINC000011891897 173370830 /nfs/dbraw/zinc/37/08/30/173370830.db2.gz INFDTSFOQHMDRF-ZDUSSCGKSA-N 1 3 218.344 2.036 20 0 BEADHO CNC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000042375124 173379373 /nfs/dbraw/zinc/37/93/73/173379373.db2.gz RYLQTDUYNCVYLE-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000042375124 173379374 /nfs/dbraw/zinc/37/93/74/173379374.db2.gz RYLQTDUYNCVYLE-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]C[C@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000130888976 173382118 /nfs/dbraw/zinc/38/21/18/173382118.db2.gz IXLWMDCLZLETNO-CQSZACIVSA-N 1 3 232.371 2.345 20 0 BEADHO COCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000363546409 174263758 /nfs/dbraw/zinc/26/37/58/174263758.db2.gz RKZOAPLDPKJKKU-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000053658204 487629635 /nfs/dbraw/zinc/62/96/35/487629635.db2.gz MQCINLQPCDKFQP-CQSZACIVSA-N 1 3 224.392 2.354 20 0 BEADHO COc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000104314170 175098876 /nfs/dbraw/zinc/09/88/76/175098876.db2.gz DJAUMOVNOBFYDK-CQSZACIVSA-N 1 3 248.370 2.399 20 0 BEADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1F ZINC000310540338 175177290 /nfs/dbraw/zinc/17/72/90/175177290.db2.gz SJWOBOJQRKOYRD-VHSXEESVSA-N 1 3 240.322 2.080 20 0 BEADHO COc1cccc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000111611467 175256620 /nfs/dbraw/zinc/25/66/20/175256620.db2.gz QGGOTEGWHWNZKS-GFCCVEGCSA-N 1 3 248.370 2.254 20 0 BEADHO COc1cccc([C@H](C)NC2CC[NH+](C)CC2)c1 ZINC000037267137 175292145 /nfs/dbraw/zinc/29/21/45/175292145.db2.gz WUMXHOGGKJRSDM-LBPRGKRZSA-N 1 3 248.370 2.440 20 0 BEADHO COc1cccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000148222944 175293578 /nfs/dbraw/zinc/29/35/78/175293578.db2.gz ADQABIYVQWQTQO-WHOFXGATSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@H](CN)C2)C1 ZINC000070532675 176117013 /nfs/dbraw/zinc/11/70/13/176117013.db2.gz BNYFRJVVAAVKJT-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](CN)C2)C1 ZINC000070532675 176117014 /nfs/dbraw/zinc/11/70/14/176117014.db2.gz BNYFRJVVAAVKJT-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)CN(C)C ZINC000336655854 176123151 /nfs/dbraw/zinc/12/31/51/176123151.db2.gz ABWPWNHMHVEWOJ-JHJVBQTASA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000235302305 176144375 /nfs/dbraw/zinc/14/43/75/176144375.db2.gz DFSJYTCDCBXGBU-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2)[C@@H]1C ZINC000235302305 176144377 /nfs/dbraw/zinc/14/43/77/176144377.db2.gz DFSJYTCDCBXGBU-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000128480449 176233459 /nfs/dbraw/zinc/23/34/59/176233459.db2.gz OAUJZIDOXZYVBN-FVCCEPFGSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CN(CCCc2ccccc2)CC[C@@H]1[NH3+] ZINC000049713011 176290072 /nfs/dbraw/zinc/29/00/72/176290072.db2.gz DRNWZLBWEXEPDR-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCc1cccs1 ZINC000049712299 176371252 /nfs/dbraw/zinc/37/12/52/176371252.db2.gz DDKJDMUDZFHXEL-MNOVXSKESA-N 1 3 224.373 2.102 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CCCCC1 ZINC000049710733 176371319 /nfs/dbraw/zinc/37/13/19/176371319.db2.gz NFMMOBFVRUZEOH-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CCCCC1 ZINC000049710733 176371321 /nfs/dbraw/zinc/37/13/21/176371321.db2.gz NFMMOBFVRUZEOH-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CCCCC1 ZINC000049710733 176371323 /nfs/dbraw/zinc/37/13/23/176371323.db2.gz NFMMOBFVRUZEOH-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000336769808 176397583 /nfs/dbraw/zinc/39/75/83/176397583.db2.gz VWNZRIWJHUFLQP-NDBYEHHHSA-N 1 3 210.365 2.105 20 0 BEADHO CCCC[C@H](C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000383513568 487633897 /nfs/dbraw/zinc/63/38/97/487633897.db2.gz HDZSMWPBCNYFDS-KBPBESRZSA-N 1 3 244.423 2.198 20 0 BEADHO CCCC[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383513568 487633900 /nfs/dbraw/zinc/63/39/00/487633900.db2.gz HDZSMWPBCNYFDS-KBPBESRZSA-N 1 3 244.423 2.198 20 0 BEADHO C[C@H]1CC([NH2+]C[C@@H]2CCCN2)C[C@H](C)C1 ZINC000235604999 177065098 /nfs/dbraw/zinc/06/50/98/177065098.db2.gz XMZHASAWCUCKSG-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CCCCN1CCC[NH2+]C1CCOCC1 ZINC000036303944 177075547 /nfs/dbraw/zinc/07/55/47/177075547.db2.gz ZASZWSQBCTXXJW-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(N)CC1 ZINC000042864221 177080023 /nfs/dbraw/zinc/08/00/23/177080023.db2.gz MSOIOGBQIGFUAE-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCCC[C@@H]1CN1CCC([NH3+])CC1 ZINC000042864221 177080026 /nfs/dbraw/zinc/08/00/26/177080026.db2.gz MSOIOGBQIGFUAE-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@@H]2CCCCN2)C1 ZINC000026515079 177313574 /nfs/dbraw/zinc/31/35/74/177313574.db2.gz DFIGHHKRSRRDCH-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]2CCCCN2)C1 ZINC000026515079 177313575 /nfs/dbraw/zinc/31/35/75/177313575.db2.gz DFIGHHKRSRRDCH-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H](C)CN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC000026515079 177313576 /nfs/dbraw/zinc/31/35/76/177313576.db2.gz DFIGHHKRSRRDCH-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1C[C@@H]1C[N@H+](CCCN)CC1CCCC1 ZINC000352539479 177342218 /nfs/dbraw/zinc/34/22/18/177342218.db2.gz BCUPORVVHDLWTI-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[C@@H]1C[N@@H+](CCCN)CC1CCCC1 ZINC000352539479 177342219 /nfs/dbraw/zinc/34/22/19/177342219.db2.gz BCUPORVVHDLWTI-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[C@H](CN2Cc3ccccc3C2)CC[NH2+]1 ZINC000235697398 177362442 /nfs/dbraw/zinc/36/24/42/177362442.db2.gz CVOGTYIDIURRIJ-QWHCGFSZSA-N 1 3 230.355 2.390 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CCCCC1 ZINC000049710730 177365127 /nfs/dbraw/zinc/36/51/27/177365127.db2.gz NFMMOBFVRUZEOH-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CCCCC1 ZINC000049710730 177365129 /nfs/dbraw/zinc/36/51/29/177365129.db2.gz NFMMOBFVRUZEOH-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CCCCC1 ZINC000049710730 177365131 /nfs/dbraw/zinc/36/51/31/177365131.db2.gz NFMMOBFVRUZEOH-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2CCCCCC2)CCN1 ZINC000235734162 177368631 /nfs/dbraw/zinc/36/86/31/177368631.db2.gz NYPFZJFPGKJMLM-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000488464202 225403638 /nfs/dbraw/zinc/40/36/38/225403638.db2.gz RGNFRHTYQQQAFB-DOMZBBRYSA-N 1 3 232.371 2.494 20 0 BEADHO CC[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225881777 487652548 /nfs/dbraw/zinc/65/25/48/487652548.db2.gz XSRTUPIIARLOOR-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO Cc1cccc([C@@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000309007998 229298092 /nfs/dbraw/zinc/29/80/92/229298092.db2.gz VKAHROZEMLYNSW-NWDGAFQWSA-N 1 3 206.333 2.240 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCS1 ZINC000087793238 487687259 /nfs/dbraw/zinc/68/72/59/487687259.db2.gz HHTPGKQKZZHSGK-QJPTWQEYSA-N 1 3 228.405 2.132 20 0 BEADHO C[C@H](NCC1(C2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000395242248 262784945 /nfs/dbraw/zinc/78/49/45/262784945.db2.gz YZHOSIWCXBQMMU-AAEUAGOBSA-N 1 3 222.376 2.297 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324824577 262796112 /nfs/dbraw/zinc/79/61/12/262796112.db2.gz SZEVDBNOFIJYAI-MGPQQGTHSA-N 1 3 222.376 2.425 20 0 BEADHO C[C@@H](F)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902389129 584580377 /nfs/dbraw/zinc/58/03/77/584580377.db2.gz SDFJNGFAGQXRNM-MNOVXSKESA-N 1 3 216.344 2.102 20 0 BEADHO C[C@@H](F)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389129 584580378 /nfs/dbraw/zinc/58/03/78/584580378.db2.gz SDFJNGFAGQXRNM-MNOVXSKESA-N 1 3 216.344 2.102 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000414851160 487709851 /nfs/dbraw/zinc/70/98/51/487709851.db2.gz OQANYDUFWXNJIL-AVGNSLFASA-N 1 3 212.381 2.258 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000226336196 487713658 /nfs/dbraw/zinc/71/36/58/487713658.db2.gz UQHBJLSLGSKABG-ZDUSSCGKSA-N 1 3 242.407 2.264 20 0 BEADHO CCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000249907248 487725780 /nfs/dbraw/zinc/72/57/80/487725780.db2.gz YXOKMQJJFIBUQN-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250607517 487735877 /nfs/dbraw/zinc/73/58/77/487735877.db2.gz XHWZSUKNMZALAZ-QWHCGFSZSA-N 1 3 210.365 2.106 20 0 BEADHO CCO[C@H]1C[C@@H](NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233780060 487743716 /nfs/dbraw/zinc/74/37/16/487743716.db2.gz MGGQGSVJZRPOFW-UPJWGTAASA-N 1 3 242.407 2.153 20 0 BEADHO C[C@@H](c1ccccc1)N(C)C[C@H]1CC[NH2+]C1 ZINC000251593348 487774438 /nfs/dbraw/zinc/77/44/38/487774438.db2.gz YAQVUKXLGVEJBT-STQMWFEESA-N 1 3 218.344 2.289 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)C(C)(C)C ZINC000251889689 487805955 /nfs/dbraw/zinc/80/59/55/487805955.db2.gz VLHMVHRYGDRJCN-WOPDTQHZSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)C(C)(C)C ZINC000251889689 487805960 /nfs/dbraw/zinc/80/59/60/487805960.db2.gz VLHMVHRYGDRJCN-WOPDTQHZSA-N 1 3 212.381 2.338 20 0 BEADHO COc1cccc([C@H]2C[C@@H](C)CN2CCC[NH3+])c1 ZINC000414740204 487820093 /nfs/dbraw/zinc/82/00/93/487820093.db2.gz KTPNDLRVHIOJJB-IUODEOHRSA-N 1 3 248.370 2.427 20 0 BEADHO CCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681643599 487830023 /nfs/dbraw/zinc/83/00/23/487830023.db2.gz FAWHHJHSPJKBAV-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CCC[C@@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC000681643599 487830030 /nfs/dbraw/zinc/83/00/30/487830030.db2.gz FAWHHJHSPJKBAV-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[C@@H](CC)CCN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415036771 487834425 /nfs/dbraw/zinc/83/44/25/487834425.db2.gz MEQYHDNBIDADEE-MQYQWHSLSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H](C)C[NH2+]CCCN1CCCCC1 ZINC000020128881 590075815 /nfs/dbraw/zinc/07/58/15/590075815.db2.gz NHJOYRPXENCDQY-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO Cc1ccc(CN(C)C[C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000666693930 487862057 /nfs/dbraw/zinc/86/20/57/487862057.db2.gz JIUVLWMVVJYQBQ-KGLIPLIRSA-N 1 3 247.386 2.210 20 0 BEADHO CC(C)(N)C[NH2+]Cc1ccccc1C1CC1 ZINC000666751879 487872161 /nfs/dbraw/zinc/87/21/61/487872161.db2.gz QRVKLISVRCEGHS-UHFFFAOYSA-N 1 3 218.344 2.391 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000666853961 487872683 /nfs/dbraw/zinc/87/26/83/487872683.db2.gz UKPMHOYIKAJRCI-WXHSDQCUSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000666853960 487872741 /nfs/dbraw/zinc/87/27/41/487872741.db2.gz UKPMHOYIKAJRCI-RTXFEEFZSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H](CC1CCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000666762248 487874281 /nfs/dbraw/zinc/87/42/81/487874281.db2.gz IIAXRUCEVPELCT-RAQOOLMWSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000666874202 487875124 /nfs/dbraw/zinc/87/51/24/487875124.db2.gz APOAXRRAYBATEA-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000666874201 487875033 /nfs/dbraw/zinc/87/50/33/487875033.db2.gz APOAXRRAYBATEA-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO N[C@@H](C[NH2+]Cc1cccc2cnccc21)C1CC1 ZINC000666834235 487887573 /nfs/dbraw/zinc/88/75/73/487887573.db2.gz HZJZFGPBBLFNRI-HNNXBMFYSA-N 1 3 241.338 2.062 20 0 BEADHO C[C@H](C[NH2+]C1(C)CCNCC1)C(C)(C)C ZINC000666882279 487895291 /nfs/dbraw/zinc/89/52/91/487895291.db2.gz VZQRJFRMJLUQAT-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000666993713 487902644 /nfs/dbraw/zinc/90/26/44/487902644.db2.gz GCICGJIIJAOKGT-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000666931725 487907013 /nfs/dbraw/zinc/90/70/13/487907013.db2.gz PEYDWNZATICNNG-QWRGUYRKSA-N 1 3 229.327 2.060 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000666930295 487907716 /nfs/dbraw/zinc/90/77/16/487907716.db2.gz XOWHVBIZEXKWFP-GHMZBOCLSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)[C@H]1CCN ZINC000404296871 487916454 /nfs/dbraw/zinc/91/64/54/487916454.db2.gz OBYNMRCZALQCJE-MCIONIFRSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)[C@H]1CCN ZINC000404296871 487916459 /nfs/dbraw/zinc/91/64/59/487916459.db2.gz OBYNMRCZALQCJE-MCIONIFRSA-N 1 3 240.391 2.005 20 0 BEADHO Cc1cc(N[C@H]2CCN(C3CC3)C2)cc[nH+]1 ZINC000229565612 487926431 /nfs/dbraw/zinc/92/64/31/487926431.db2.gz KTVLTKFJAKNMJO-LBPRGKRZSA-N 1 3 217.316 2.039 20 0 BEADHO CCc1cc(N[C@@H]2CCN(C3CC3)C2)cc[nH+]1 ZINC000307767733 487945079 /nfs/dbraw/zinc/94/50/79/487945079.db2.gz IIHYXTUWSNEOOR-CYBMUJFWSA-N 1 3 231.343 2.293 20 0 BEADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 ZINC000566480834 323000967 /nfs/dbraw/zinc/00/09/67/323000967.db2.gz BBVGCRDWOYDSJY-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247401206 323012983 /nfs/dbraw/zinc/01/29/83/323012983.db2.gz XHSPPKIHNBZQIZ-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCN1 ZINC000403479366 323030823 /nfs/dbraw/zinc/03/08/23/323030823.db2.gz RGDGSGAFINLVGS-MQLXINIDSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H]([NH2+]CCCNC(C)C)[C@H]1C[C@H]1C ZINC000562956420 323034886 /nfs/dbraw/zinc/03/48/86/323034886.db2.gz SUMPYHRWEXDVAL-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccn1 ZINC000569825193 323041647 /nfs/dbraw/zinc/04/16/47/323041647.db2.gz NLCVJIVHOLUJLH-OLZOCXBDSA-N 1 3 247.386 2.219 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000570226586 323053683 /nfs/dbraw/zinc/05/36/83/323053683.db2.gz OBADUXRTNNUTGF-YIFLHPOLSA-N 1 3 222.376 2.426 20 0 BEADHO CC(C)[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000570562620 323063123 /nfs/dbraw/zinc/06/31/23/323063123.db2.gz HYLGVVWJPCIRHO-KBPBESRZSA-N 1 3 224.392 2.400 20 0 BEADHO C(CC1CCCC1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309588474 323082487 /nfs/dbraw/zinc/08/24/87/323082487.db2.gz XLQHNOFTEHLHMD-KBPBESRZSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC12CCC2)CN(C)C ZINC000394829901 323086056 /nfs/dbraw/zinc/08/60/56/323086056.db2.gz TUVDINLIAAGHMB-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO COc1ccccc1/C=C\CN[C@H](C)C[C@H](C)[NH3+] ZINC000563135339 323094682 /nfs/dbraw/zinc/09/46/82/323094682.db2.gz JHDYFYLATFTSRJ-SVSNBYFCSA-N 1 3 248.370 2.424 20 0 BEADHO COC[C@H](C)C[NH2+]CCNC1CCCCCC1 ZINC000563430580 323125012 /nfs/dbraw/zinc/12/50/12/323125012.db2.gz BIOSDNGBBUFGKM-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563430470 323125064 /nfs/dbraw/zinc/12/50/64/323125064.db2.gz CKHSPLSZLODUBH-ZLDLUXBVSA-N 1 3 245.370 2.116 20 0 BEADHO CC[C@H]([NH2+]CCCNC(C)C)C(C)C ZINC000571394855 323143248 /nfs/dbraw/zinc/14/32/48/323143248.db2.gz QNVNAKSUHUZXRC-LBPRGKRZSA-N 1 3 200.370 2.399 20 0 BEADHO Cc1ccc(CCN[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000531940795 323155942 /nfs/dbraw/zinc/15/59/42/323155942.db2.gz MRBLERYZRSCBKY-YPMHNXCESA-N 1 3 236.359 2.203 20 0 BEADHO Cc1ccc(CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000531940795 323155943 /nfs/dbraw/zinc/15/59/43/323155943.db2.gz MRBLERYZRSCBKY-YPMHNXCESA-N 1 3 236.359 2.203 20 0 BEADHO COc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000252774307 323174478 /nfs/dbraw/zinc/17/44/78/323174478.db2.gz JRARVLLLAJZYFS-JSGCOSHPSA-N 1 3 248.370 2.173 20 0 BEADHO C[C@@H](CCc1ccco1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000563881207 323182818 /nfs/dbraw/zinc/18/28/18/323182818.db2.gz MLDSCCVEWSRTLQ-IACUBPJLSA-N 1 3 236.359 2.460 20 0 BEADHO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530213640 323216944 /nfs/dbraw/zinc/21/69/44/323216944.db2.gz BDLUIHJXGPSYNB-CHWSQXEVSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC1 ZINC000530213640 323216945 /nfs/dbraw/zinc/21/69/45/323216945.db2.gz BDLUIHJXGPSYNB-CHWSQXEVSA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216556 323217173 /nfs/dbraw/zinc/21/71/73/323217173.db2.gz QKUSLLYMSDNORK-MNOVXSKESA-N 1 3 208.349 2.049 20 0 BEADHO CCCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397339382 324213334 /nfs/dbraw/zinc/21/33/34/324213334.db2.gz VBHNJPVWBHBDFS-AGIUHOORSA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397339382 324213340 /nfs/dbraw/zinc/21/33/40/324213340.db2.gz VBHNJPVWBHBDFS-AGIUHOORSA-N 1 3 212.381 2.482 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000133751729 325316082 /nfs/dbraw/zinc/31/60/82/325316082.db2.gz MNLBAAQZLANUKR-SRVKXCTJSA-N 1 3 230.421 2.378 20 0 BEADHO CCc1cccc(CNC2CC[NH+](C)CC2)c1 ZINC000566336282 326035135 /nfs/dbraw/zinc/03/51/35/326035135.db2.gz YQIZIEGGUICIFA-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO CCCNCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000567141968 326123472 /nfs/dbraw/zinc/12/34/72/326123472.db2.gz QNQYZSDORLWEAU-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO CCNCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000568617078 326367694 /nfs/dbraw/zinc/36/76/94/326367694.db2.gz BDBWUSZJBPOXGS-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000569211338 326395135 /nfs/dbraw/zinc/39/51/35/326395135.db2.gz FDZVDUUDFMIDON-QWHCGFSZSA-N 1 3 230.371 2.494 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCc3c2cccc3O)C1 ZINC000573107550 326430141 /nfs/dbraw/zinc/43/01/41/326430141.db2.gz XRUMUZVHYPKKKG-SUNKGSAMSA-N 1 3 246.354 2.239 20 0 BEADHO C1=C(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000401027256 488000318 /nfs/dbraw/zinc/00/03/18/488000318.db2.gz KOZRYILJPMTYTG-ZIAGYGMSSA-N 1 3 220.360 2.313 20 0 BEADHO C1=C(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000401027256 488000320 /nfs/dbraw/zinc/00/03/20/488000320.db2.gz KOZRYILJPMTYTG-ZIAGYGMSSA-N 1 3 220.360 2.313 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@H](C)C[C@H](C)[NH3+] ZINC000656200849 488066910 /nfs/dbraw/zinc/06/69/10/488066910.db2.gz GKAGVWFMSIVVSP-TUAOUCFPSA-N 1 3 230.396 2.153 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)CC(F)F ZINC000656200901 488067906 /nfs/dbraw/zinc/06/79/06/488067906.db2.gz YGSXIKLLANMCQM-GUBZILKMSA-N 1 3 220.307 2.137 20 0 BEADHO Cc1ccnc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000683010619 488090684 /nfs/dbraw/zinc/09/06/84/488090684.db2.gz CIFDNNGOQCENOW-ZFWWWQNUSA-N 1 3 247.386 2.305 20 0 BEADHO Cc1ccnc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000683010619 488090686 /nfs/dbraw/zinc/09/06/86/488090686.db2.gz CIFDNNGOQCENOW-ZFWWWQNUSA-N 1 3 247.386 2.305 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960181 488114180 /nfs/dbraw/zinc/11/41/80/488114180.db2.gz POGJRQPEEFMITM-XGUBFFRZSA-N 1 3 236.403 2.495 20 0 BEADHO CCN(CC)CCC[N@H+](CC)C[C@H]1CCOC1 ZINC000683140699 488117633 /nfs/dbraw/zinc/11/76/33/488117633.db2.gz BQUCLAXTIKJGIF-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)C[C@H]1CCOC1 ZINC000683140699 488117639 /nfs/dbraw/zinc/11/76/39/488117639.db2.gz BQUCLAXTIKJGIF-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CCC[NH+](CC)CC)C[C@H]1CCOC1 ZINC000683140699 488117643 /nfs/dbraw/zinc/11/76/43/488117643.db2.gz BQUCLAXTIKJGIF-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000403519770 488125216 /nfs/dbraw/zinc/12/52/16/488125216.db2.gz KQDUDFIGLPHXTF-LEOABGAYSA-N 1 3 248.414 2.483 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000403519770 488125219 /nfs/dbraw/zinc/12/52/19/488125219.db2.gz KQDUDFIGLPHXTF-LEOABGAYSA-N 1 3 248.414 2.483 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403587555 488127266 /nfs/dbraw/zinc/12/72/66/488127266.db2.gz DEYRIVUXDOZATR-XGFWRYKXSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403587555 488127267 /nfs/dbraw/zinc/12/72/67/488127267.db2.gz DEYRIVUXDOZATR-XGFWRYKXSA-N 1 3 222.376 2.092 20 0 BEADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cn1 ZINC000062051165 487491857 /nfs/dbraw/zinc/49/18/57/487491857.db2.gz YFZPXEUPWVWNDO-GOOCMWNKSA-N 1 3 245.370 2.105 20 0 BEADHO Cc1ccc(CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000680046160 487525965 /nfs/dbraw/zinc/52/59/65/487525965.db2.gz RFPZQYMALJDDBD-HOTGVXAUSA-N 1 3 244.382 2.079 20 0 BEADHO Cc1ccc(CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000680046167 487526506 /nfs/dbraw/zinc/52/65/06/487526506.db2.gz RFPZQYMALJDDBD-HZPDHXFCSA-N 1 3 244.382 2.079 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000250853003 487742200 /nfs/dbraw/zinc/74/22/00/487742200.db2.gz NDLQVFLMAHWMFA-MCIONIFRSA-N 1 3 230.355 2.186 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403789059 488138223 /nfs/dbraw/zinc/13/82/23/488138223.db2.gz ALMOREGQKFLGSC-RQJABVFESA-N 1 3 236.403 2.400 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1C ZINC000258852619 488139188 /nfs/dbraw/zinc/13/91/88/488139188.db2.gz FEWCIMOYSDFQQW-GJZGRUSLSA-N 1 3 232.371 2.315 20 0 BEADHO CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000390502719 488163461 /nfs/dbraw/zinc/16/34/61/488163461.db2.gz UVYAFXYQZREGEE-KBPBESRZSA-N 1 3 224.392 2.483 20 0 BEADHO CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000390502719 488163466 /nfs/dbraw/zinc/16/34/66/488163466.db2.gz UVYAFXYQZREGEE-KBPBESRZSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+]CCOCCN(C)C ZINC000683692504 488207926 /nfs/dbraw/zinc/20/79/26/488207926.db2.gz RVILNVMUNCPZDJ-CQSZACIVSA-N 1 3 242.407 2.289 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC1CCC1 ZINC000398612561 488220538 /nfs/dbraw/zinc/22/05/38/488220538.db2.gz AUBGHZQWBKBMIS-ZDUSSCGKSA-N 1 3 212.381 2.482 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665283126 490096274 /nfs/dbraw/zinc/09/62/74/490096274.db2.gz HUBXCCCFQVXQMK-TZMCWYRMSA-N 1 3 236.359 2.319 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCS1 ZINC000227390379 490145152 /nfs/dbraw/zinc/14/51/52/490145152.db2.gz HHTPGKQKZZHSGK-IJLUTSLNSA-N 1 3 228.405 2.132 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000070325871 490207574 /nfs/dbraw/zinc/20/75/74/490207574.db2.gz JNHZTKZBHGWEIA-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000070325870 490207602 /nfs/dbraw/zinc/20/76/02/490207602.db2.gz JNHZTKZBHGWEIA-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000577887121 490221072 /nfs/dbraw/zinc/22/10/72/490221072.db2.gz FIDLLDYWYHAFMA-UONOGXRCSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300333416 490557176 /nfs/dbraw/zinc/55/71/76/490557176.db2.gz MJFNSLXGICIUJR-CYDGBPFRSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300333416 490557181 /nfs/dbraw/zinc/55/71/81/490557181.db2.gz MJFNSLXGICIUJR-CYDGBPFRSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@]1(CN)CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300802352 490569016 /nfs/dbraw/zinc/56/90/16/490569016.db2.gz DCTPNDQNNGXZQK-MNOVXSKESA-N 1 3 232.318 2.093 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300802352 490569020 /nfs/dbraw/zinc/56/90/20/490569020.db2.gz DCTPNDQNNGXZQK-MNOVXSKESA-N 1 3 232.318 2.093 20 0 BEADHO c1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000128895545 490593444 /nfs/dbraw/zinc/59/34/44/490593444.db2.gz NAURYGMRUPFCLB-UKRRQHHQSA-N 1 3 230.355 2.406 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1cccs1 ZINC000336696526 491106438 /nfs/dbraw/zinc/10/64/38/491106438.db2.gz UCBJPOOVPVOYBP-ZJUUUORDSA-N 1 3 212.362 2.384 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665282901 491107836 /nfs/dbraw/zinc/10/78/36/491107836.db2.gz DORVYRBLNKTLGN-OCCSQVGLSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCCc1ccco1 ZINC000665282901 491107839 /nfs/dbraw/zinc/10/78/39/491107839.db2.gz DORVYRBLNKTLGN-OCCSQVGLSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665282899 491107966 /nfs/dbraw/zinc/10/79/66/491107966.db2.gz DORVYRBLNKTLGN-GXTWGEPZSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCCc1ccco1 ZINC000665282899 491107967 /nfs/dbraw/zinc/10/79/67/491107967.db2.gz DORVYRBLNKTLGN-GXTWGEPZSA-N 1 3 236.359 2.190 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000414862854 491111417 /nfs/dbraw/zinc/11/14/17/491111417.db2.gz BCFVMNUQTCHANT-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@H](C)C[C@H]1C ZINC000414862857 491111423 /nfs/dbraw/zinc/11/14/23/491111423.db2.gz BCFVMNUQTCHANT-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccncc1[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000293659101 491114303 /nfs/dbraw/zinc/11/43/03/491114303.db2.gz LUIHTCRZTMCQIS-AAEUAGOBSA-N 1 3 235.375 2.238 20 0 BEADHO Cc1ncc([C@@H](C)[NH2+][C@H](C)CCN(C)C)s1 ZINC000090406296 491126045 /nfs/dbraw/zinc/12/60/45/491126045.db2.gz HCWIAQYEYVVXDS-NXEZZACHSA-N 1 3 241.404 2.442 20 0 BEADHO C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN1 ZINC000400635435 533838596 /nfs/dbraw/zinc/83/85/96/533838596.db2.gz MREBKPCYLHAFFX-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000224886273 535610857 /nfs/dbraw/zinc/61/08/57/535610857.db2.gz GXYFGUWHCPGMAY-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000224886273 535610862 /nfs/dbraw/zinc/61/08/62/535610862.db2.gz GXYFGUWHCPGMAY-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000226744864 535821982 /nfs/dbraw/zinc/82/19/82/535821982.db2.gz RTPJOXBCXXWEAZ-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252219044 536375491 /nfs/dbraw/zinc/37/54/91/536375491.db2.gz YNWOKELNNHMNAQ-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252219044 536375493 /nfs/dbraw/zinc/37/54/93/536375493.db2.gz YNWOKELNNHMNAQ-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccncc1 ZINC000424377408 529202762 /nfs/dbraw/zinc/20/27/62/529202762.db2.gz RDZQXDOZTGJETJ-MGPQQGTHSA-N 1 3 233.359 2.392 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCSC1 ZINC000224622099 535063101 /nfs/dbraw/zinc/06/31/01/535063101.db2.gz NAULQEGMBFCWCL-NWDGAFQWSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000261569438 535285978 /nfs/dbraw/zinc/28/59/78/535285978.db2.gz JUHMPSMLHJAUNA-QLFBSQMISA-N 1 3 248.370 2.128 20 0 BEADHO CC[NH2+]CC1CCN(Cc2cccnc2C)CC1 ZINC000261557381 535459692 /nfs/dbraw/zinc/45/96/92/535459692.db2.gz COSPEUBXZSVZHK-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO CC[C@@H](Cc1ccccc1)[N@H+](C)CCCN ZINC000227741962 535773406 /nfs/dbraw/zinc/77/34/06/535773406.db2.gz UUTKJNGQGLJZHU-AWEZNQCLSA-N 1 3 220.360 2.288 20 0 BEADHO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCN ZINC000227741962 535773408 /nfs/dbraw/zinc/77/34/08/535773408.db2.gz UUTKJNGQGLJZHU-AWEZNQCLSA-N 1 3 220.360 2.288 20 0 BEADHO CC[C@@H](Cc1ccccc1)N(C)CCC[NH3+] ZINC000227741962 535773412 /nfs/dbraw/zinc/77/34/12/535773412.db2.gz UUTKJNGQGLJZHU-AWEZNQCLSA-N 1 3 220.360 2.288 20 0 BEADHO CCN1C[C@H](C)N(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000357701763 535781157 /nfs/dbraw/zinc/78/11/57/535781157.db2.gz XNDFOTDPSARFNU-STQMWFEESA-N 1 3 233.359 2.309 20 0 BEADHO CCc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261565578 535936827 /nfs/dbraw/zinc/93/68/27/535936827.db2.gz HSZXYQZIMWVNBK-ARFHVFGLSA-N 1 3 244.382 2.418 20 0 BEADHO CCc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252788803 536178413 /nfs/dbraw/zinc/17/84/13/536178413.db2.gz XINJRGVYNJBMMG-SWLSCSKDSA-N 1 3 232.371 2.418 20 0 BEADHO CCCSC[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000892612542 582929176 /nfs/dbraw/zinc/92/91/76/582929176.db2.gz ARTMWRMCVYPGGB-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H](CCN(C)CC1CC1)[N@H+](C)CC1CC1 ZINC000431598240 566365104 /nfs/dbraw/zinc/36/51/04/566365104.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CCN(C)CC1CC1)[N@@H+](C)CC1CC1 ZINC000431598240 566365110 /nfs/dbraw/zinc/36/51/10/566365110.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CC[N@H+](C)CC1CC1)N(C)CC1CC1 ZINC000431598240 566365115 /nfs/dbraw/zinc/36/51/15/566365115.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](CC[N@@H+](C)CC1CC1)N(C)CC1CC1 ZINC000431598240 566365122 /nfs/dbraw/zinc/36/51/22/566365122.db2.gz BSZUXGCKQJFZJG-LBPRGKRZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853240263 588728231 /nfs/dbraw/zinc/72/82/31/588728231.db2.gz OFXGKLOJWMOKPI-VHDGCEQUSA-N 1 3 236.403 2.497 20 0 BEADHO C[NH2+]C[C@@H](C)NC1CCC(C(F)(F)F)CC1 ZINC000853249610 588729062 /nfs/dbraw/zinc/72/90/62/588729062.db2.gz RWEYZLHRIJVTCT-XNWIYYODSA-N 1 3 238.297 2.305 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CCN(C)CC2)CC1 ZINC000891820863 582726815 /nfs/dbraw/zinc/72/68/15/582726815.db2.gz CEJJCORMFZRZRM-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)CC1 ZINC000891820863 582726817 /nfs/dbraw/zinc/72/68/17/582726817.db2.gz CEJJCORMFZRZRM-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CN1CCC(C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000892055850 582778017 /nfs/dbraw/zinc/77/80/17/582778017.db2.gz MKLFDNHPEHMBEL-UHFFFAOYSA-N 1 3 222.376 2.204 20 0 BEADHO CN1CCC(C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000892055850 582778020 /nfs/dbraw/zinc/77/80/20/582778020.db2.gz MKLFDNHPEHMBEL-UHFFFAOYSA-N 1 3 222.376 2.204 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000892066933 582783572 /nfs/dbraw/zinc/78/35/72/582783572.db2.gz ZRLYIJGNCUPQJM-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000892066933 582783571 /nfs/dbraw/zinc/78/35/71/582783571.db2.gz ZRLYIJGNCUPQJM-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000892105236 582792745 /nfs/dbraw/zinc/79/27/45/582792745.db2.gz XSWFJTQSIBHGRP-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000892105236 582792747 /nfs/dbraw/zinc/79/27/47/582792747.db2.gz XSWFJTQSIBHGRP-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000394611658 582998301 /nfs/dbraw/zinc/99/83/01/582998301.db2.gz HZTJQJSNBCGMRO-GJZGRUSLSA-N 1 3 236.403 2.498 20 0 BEADHO CCCSC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000893302027 583094588 /nfs/dbraw/zinc/09/45/88/583094588.db2.gz BVXODUKZXUBPNY-GFCCVEGCSA-N 1 3 242.432 2.370 20 0 BEADHO CCCSC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000893302028 583094829 /nfs/dbraw/zinc/09/48/29/583094829.db2.gz BVXODUKZXUBPNY-LBPRGKRZSA-N 1 3 242.432 2.370 20 0 BEADHO C[C@@H]1[C@H](C)C[N@H+](CC2CCN(C)CC2)[C@H]1C ZINC000894959559 583559284 /nfs/dbraw/zinc/55/92/84/583559284.db2.gz YIRCEFYWDLFQIZ-UPJWGTAASA-N 1 3 224.392 2.305 20 0 BEADHO C[C@@H]1[C@H](C)C[N@@H+](CC2CCN(C)CC2)[C@H]1C ZINC000894959559 583559285 /nfs/dbraw/zinc/55/92/85/583559285.db2.gz YIRCEFYWDLFQIZ-UPJWGTAASA-N 1 3 224.392 2.305 20 0 BEADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1cnccn1 ZINC000894968897 583560438 /nfs/dbraw/zinc/56/04/38/583560438.db2.gz ZMGDRDMMKXIBBU-LBPRGKRZSA-N 1 3 248.374 2.002 20 0 BEADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1cnccn1 ZINC000894968897 583560439 /nfs/dbraw/zinc/56/04/39/583560439.db2.gz ZMGDRDMMKXIBBU-LBPRGKRZSA-N 1 3 248.374 2.002 20 0 BEADHO C[C@@H](CCc1cccnc1)[NH2+]CC[C@H](C)N(C)C ZINC000895290524 583637864 /nfs/dbraw/zinc/63/78/64/583637864.db2.gz KMTQSOQZYGDHKH-KBPBESRZSA-N 1 3 249.402 2.333 20 0 BEADHO Cc1ccc(CCC[NH2+]CC[C@@H](C)N(C)C)cn1 ZINC000895292974 583639213 /nfs/dbraw/zinc/63/92/13/583639213.db2.gz FBPNIUYUSDTLOE-CQSZACIVSA-N 1 3 249.402 2.252 20 0 BEADHO Cc1ccc(CCCNCC[C@@H](C)[NH+](C)C)cn1 ZINC000895292974 583639215 /nfs/dbraw/zinc/63/92/15/583639215.db2.gz FBPNIUYUSDTLOE-CQSZACIVSA-N 1 3 249.402 2.252 20 0 BEADHO CCC1(C[NH2+]CC[C@H](C)N(C)C)CCOCC1 ZINC000895296189 583640880 /nfs/dbraw/zinc/64/08/80/583640880.db2.gz ABASPLXUSLKIIL-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCCSC[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895429952 583669043 /nfs/dbraw/zinc/66/90/43/583669043.db2.gz ZRLLWVJPOORITN-RYUDHWBXSA-N 1 3 232.437 2.448 20 0 BEADHO CCCSC[C@H](C)NCC[C@H](C)[NH+](C)C ZINC000895429952 583669045 /nfs/dbraw/zinc/66/90/45/583669045.db2.gz ZRLLWVJPOORITN-RYUDHWBXSA-N 1 3 232.437 2.448 20 0 BEADHO C[C@@H]1CN(CC2(C)CC2)CCN1c1cc[nH+]cc1 ZINC000895556307 583690618 /nfs/dbraw/zinc/69/06/18/583690618.db2.gz HBNGOHXVYDBMDH-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO CN1CCC(C[NH+]2CCC(C)(F)CC2)CC1 ZINC000895777092 583726476 /nfs/dbraw/zinc/72/64/76/583726476.db2.gz GFBGCSHLMCJDHP-UHFFFAOYSA-N 1 3 228.355 2.152 20 0 BEADHO CCc1cc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)ccn1 ZINC000896913595 583854017 /nfs/dbraw/zinc/85/40/17/583854017.db2.gz USUXEYSPJNVOEL-SWLSCSKDSA-N 1 3 245.370 2.032 20 0 BEADHO CCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)ccn1 ZINC000896913595 583854019 /nfs/dbraw/zinc/85/40/19/583854019.db2.gz USUXEYSPJNVOEL-SWLSCSKDSA-N 1 3 245.370 2.032 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2C=CCC2)CC1(C)C ZINC000858189906 588938175 /nfs/dbraw/zinc/93/81/75/588938175.db2.gz YXLBHGNGOSXQOE-RYUDHWBXSA-N 1 3 208.349 2.167 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2C=CCC2)CC1(C)C ZINC000858189906 588938176 /nfs/dbraw/zinc/93/81/76/588938176.db2.gz YXLBHGNGOSXQOE-RYUDHWBXSA-N 1 3 208.349 2.167 20 0 BEADHO C[N@@H+]1CC[C@@H](N[C@@H]2C=CCC2)CC1(C)C ZINC000858189907 588938186 /nfs/dbraw/zinc/93/81/86/588938186.db2.gz YXLBHGNGOSXQOE-VXGBXAGGSA-N 1 3 208.349 2.167 20 0 BEADHO C[N@H+]1CC[C@@H](N[C@@H]2C=CCC2)CC1(C)C ZINC000858189907 588938187 /nfs/dbraw/zinc/93/81/87/588938187.db2.gz YXLBHGNGOSXQOE-VXGBXAGGSA-N 1 3 208.349 2.167 20 0 BEADHO C[NH+]1CCC(CN2CC(Cc3ccoc3)C2)CC1 ZINC000898159759 584087614 /nfs/dbraw/zinc/08/76/14/584087614.db2.gz GJKZDMHZZPDKHX-UHFFFAOYSA-N 1 3 248.370 2.096 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)C[C@@H]1CCC=CO1 ZINC000898308246 584109662 /nfs/dbraw/zinc/10/96/62/584109662.db2.gz UXYYUPFZQYEESZ-ZDUSSCGKSA-N 1 3 240.391 2.199 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000898308246 584109663 /nfs/dbraw/zinc/10/96/63/584109663.db2.gz UXYYUPFZQYEESZ-ZDUSSCGKSA-N 1 3 240.391 2.199 20 0 BEADHO CN1CC[C@@H]([NH2+]C/C=C\Cl)CC1(C)C ZINC000898430116 584134459 /nfs/dbraw/zinc/13/44/59/584134459.db2.gz UXAMDJMOODIHSP-AYYIZTPMSA-N 1 3 216.756 2.201 20 0 BEADHO NCc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000899327448 584197822 /nfs/dbraw/zinc/19/78/22/584197822.db2.gz AAIPHVLTVQHPPM-MNOVXSKESA-N 1 3 220.341 2.115 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000902346751 584559112 /nfs/dbraw/zinc/55/91/12/584559112.db2.gz POHNMBZDMAGIIX-VXGBXAGGSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCS2)C1 ZINC000902346751 584559113 /nfs/dbraw/zinc/55/91/13/584559113.db2.gz POHNMBZDMAGIIX-VXGBXAGGSA-N 1 3 242.432 2.250 20 0 BEADHO CSCCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902331972 584563020 /nfs/dbraw/zinc/56/30/20/584563020.db2.gz XQUHYPTULVPWTL-LBPRGKRZSA-N 1 3 244.448 2.497 20 0 BEADHO CSC(C)(C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902333516 584563885 /nfs/dbraw/zinc/56/38/85/584563885.db2.gz KEOMRDOUELHPIW-NSHDSACASA-N 1 3 244.448 2.496 20 0 BEADHO CC/C=C/CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387424 584579028 /nfs/dbraw/zinc/57/90/28/584579028.db2.gz KSKOEYCUFALQLT-BTDICHCPSA-N 1 3 210.365 2.320 20 0 BEADHO CCC1([NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000902386493 584579203 /nfs/dbraw/zinc/57/92/03/584579203.db2.gz FGEBPNYWQJLASO-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CS1 ZINC000902391306 584582110 /nfs/dbraw/zinc/58/21/10/584582110.db2.gz VBJCSHVWDRJPSI-IJLUTSLNSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNCC(C)(C)C2)CS1 ZINC000902391306 584582111 /nfs/dbraw/zinc/58/21/11/584582111.db2.gz VBJCSHVWDRJPSI-IJLUTSLNSA-N 1 3 242.432 2.248 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NCCc2ccoc2)C1 ZINC000902401035 584587330 /nfs/dbraw/zinc/58/73/30/584587330.db2.gz ZUVAUBHRXONKRO-ZDUSSCGKSA-N 1 3 236.359 2.190 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1C ZINC000902403520 584588385 /nfs/dbraw/zinc/58/83/85/584588385.db2.gz IBZNNGCXGFEDHQ-GFCCVEGCSA-N 1 3 248.370 2.406 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H]2C=CCC2)C1 ZINC000902404610 584588732 /nfs/dbraw/zinc/58/87/32/584588732.db2.gz XJIOEFFVEWRTKA-QWHCGFSZSA-N 1 3 222.376 2.320 20 0 BEADHO CC(C)(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000902430883 584595076 /nfs/dbraw/zinc/59/50/76/584595076.db2.gz JKBTUYYQNRZWRY-GOCOPAARSA-N 1 3 234.387 2.009 20 0 BEADHO CC(C)(C[NH2+][C@H]1[C@@H]2NC[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000902430883 584595079 /nfs/dbraw/zinc/59/50/79/584595079.db2.gz JKBTUYYQNRZWRY-GOCOPAARSA-N 1 3 234.387 2.009 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)C1CC1 ZINC000902432800 584595345 /nfs/dbraw/zinc/59/53/45/584595345.db2.gz PZGBYRIPPIXPBP-CMPLNLGQSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000902432231 584595581 /nfs/dbraw/zinc/59/55/81/584595581.db2.gz ORGBKWRYIMIRCR-RYUDHWBXSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)C1CCSCC1 ZINC000902443170 584598132 /nfs/dbraw/zinc/59/81/32/584598132.db2.gz KJHZLFMXRUKFJZ-CMPLNLGQSA-N 1 3 242.432 2.106 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902444140 584598413 /nfs/dbraw/zinc/59/84/13/584598413.db2.gz MRBBCGGXUQAUJK-SRVKXCTJSA-N 1 3 210.365 2.009 20 0 BEADHO CC1(C)CC[C@@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902443923 584598451 /nfs/dbraw/zinc/59/84/51/584598451.db2.gz MOMUUDFVONAMHK-GHMZBOCLSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CNCC1(C)C ZINC000902444236 584598518 /nfs/dbraw/zinc/59/85/18/584598518.db2.gz MWOZPMFXSNJPBF-GHMZBOCLSA-N 1 3 212.381 2.399 20 0 BEADHO CCCCO[C@@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000902414724 584600162 /nfs/dbraw/zinc/60/01/62/584600162.db2.gz ZVJOLKHVUSRMCT-NWDGAFQWSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)[C@@H]([NH2+][C@@H]1CNCC1(C)C)C1CC1 ZINC000902450515 584606758 /nfs/dbraw/zinc/60/67/58/584606758.db2.gz SSWIOJVZMAXVNK-VXGBXAGGSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CNCC1(C)C)C1CC1 ZINC000902450514 584607014 /nfs/dbraw/zinc/60/70/14/584607014.db2.gz SSWIOJVZMAXVNK-RYUDHWBXSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C1CNC1 ZINC000902457580 584610391 /nfs/dbraw/zinc/61/03/91/584610391.db2.gz UWXWUVWIWKWNPF-NXEZZACHSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902458636 584610855 /nfs/dbraw/zinc/61/08/55/584610855.db2.gz WWWFSEWJTOXJDG-PEBLQZBPSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC(C)(C)O1 ZINC000902460616 584611734 /nfs/dbraw/zinc/61/17/34/584611734.db2.gz HPNKGIDBBAMUSG-SDDRHHMPSA-N 1 3 228.380 2.050 20 0 BEADHO CCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCC1 ZINC000902467596 584614751 /nfs/dbraw/zinc/61/47/51/584614751.db2.gz PKBYRSZUNPZSRB-YIYPIFLZSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469164 584615320 /nfs/dbraw/zinc/61/53/20/584615320.db2.gz YLNXSWLIRCAFNO-QTJJRWQNSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469074 584615524 /nfs/dbraw/zinc/61/55/24/584615524.db2.gz OYORRMAFKJNXQV-ODXJTPSBSA-N 1 3 220.360 2.048 20 0 BEADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469075 584615626 /nfs/dbraw/zinc/61/56/26/584615626.db2.gz OYORRMAFKJNXQV-QSLWVIQJSA-N 1 3 220.360 2.048 20 0 BEADHO C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469076 584615838 /nfs/dbraw/zinc/61/58/38/584615838.db2.gz OYORRMAFKJNXQV-RYMFRWLXSA-N 1 3 220.360 2.048 20 0 BEADHO CC[C@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470483 584616244 /nfs/dbraw/zinc/61/62/44/584616244.db2.gz YOVOAPNUAKDCFW-QSLWVIQJSA-N 1 3 222.376 2.438 20 0 BEADHO CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902470276 584616788 /nfs/dbraw/zinc/61/67/88/584616788.db2.gz VWLLOAITOWCRTP-REWJHTLYSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H](N[C@@H]1CC=CC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000902506166 584622252 /nfs/dbraw/zinc/62/22/52/584622252.db2.gz XFMDFHJWTGEGNC-LPWJVIDDSA-N 1 3 208.349 2.071 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)[C@@H]1CCCN1 ZINC000902506166 584622255 /nfs/dbraw/zinc/62/22/55/584622255.db2.gz XFMDFHJWTGEGNC-LPWJVIDDSA-N 1 3 208.349 2.071 20 0 BEADHO Cc1cc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)c(C)o1 ZINC000902485963 584625455 /nfs/dbraw/zinc/62/54/55/584625455.db2.gz CYXLDDSLBQFBRQ-YUSALJHKSA-N 1 3 222.332 2.284 20 0 BEADHO C[C@@H]([NH2+]C1(C)C(C)(C)C1(C)C)C1CNC1 ZINC000902521000 584631345 /nfs/dbraw/zinc/63/13/45/584631345.db2.gz QPKFCMHPFPHHPJ-SECBINFHSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ncccc1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000902514650 584629481 /nfs/dbraw/zinc/62/94/81/584629481.db2.gz TWCHXZDUFPHWJB-LSDHHAIUSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H]([NH2+]C1(C2CCCCC2)CC1)C1CNC1 ZINC000902517371 584629825 /nfs/dbraw/zinc/62/98/25/584629825.db2.gz KXJPYNWMIPPEEP-NSHDSACASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](NC1(C)C(C)(C)C1(C)C)C1C[NH2+]C1 ZINC000902521000 584631342 /nfs/dbraw/zinc/63/13/42/584631342.db2.gz QPKFCMHPFPHHPJ-SECBINFHSA-N 1 3 210.365 2.009 20 0 BEADHO CN1CC=C(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902896930 584691422 /nfs/dbraw/zinc/69/14/22/584691422.db2.gz NKSBWLJYQAYUOR-KBPBESRZSA-N 1 3 234.387 2.417 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903252495 584739091 /nfs/dbraw/zinc/73/90/91/584739091.db2.gz DITRWFOBDWPRHK-JSLGZRHDSA-N 1 3 234.387 2.247 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903252495 584739092 /nfs/dbraw/zinc/73/90/92/584739092.db2.gz DITRWFOBDWPRHK-JSLGZRHDSA-N 1 3 234.387 2.247 20 0 BEADHO CC(C)N(C[C@@H]1C[NH2+]C[C@H]1C)C1CCC1 ZINC000903440412 584763047 /nfs/dbraw/zinc/76/30/47/584763047.db2.gz WYJGRCUFKQRAKO-NEPJUHHUSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1Cc2ccccc2C[C@H]1C ZINC000903439893 584763068 /nfs/dbraw/zinc/76/30/68/584763068.db2.gz PIKQMBGQMVFCMX-IOASZLSFSA-N 1 3 244.382 2.289 20 0 BEADHO C[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000903459765 584765776 /nfs/dbraw/zinc/76/57/76/584765776.db2.gz ZHEQYJQCLGTVCK-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2)[C@H](C)C1 ZINC000903459765 584765779 /nfs/dbraw/zinc/76/57/79/584765779.db2.gz ZHEQYJQCLGTVCK-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1C[C@H]1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453909 584773002 /nfs/dbraw/zinc/77/30/02/584773002.db2.gz PCZREMFLPYEYBR-RDBSUJKOSA-N 1 3 222.376 2.108 20 0 BEADHO CC1(C)[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C[C@@H]1N ZINC000903482634 584778612 /nfs/dbraw/zinc/77/86/12/584778612.db2.gz NLTINWCFGNZOCY-UONOGXRCSA-N 1 3 243.354 2.383 20 0 BEADHO CN(C[C@H]1CC1(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769891 584797871 /nfs/dbraw/zinc/79/78/71/584797871.db2.gz QXQRTESYMMNWKE-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1CCCCNC1 ZINC000903769891 584797872 /nfs/dbraw/zinc/79/78/72/584797872.db2.gz QXQRTESYMMNWKE-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCCCNC1 ZINC000903769891 584797874 /nfs/dbraw/zinc/79/78/74/584797874.db2.gz QXQRTESYMMNWKE-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903786115 584800183 /nfs/dbraw/zinc/80/01/83/584800183.db2.gz DQSIDDVUXQTRAF-BPCQOVAHSA-N 1 3 210.365 2.106 20 0 BEADHO CNC[C@@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903786115 584800184 /nfs/dbraw/zinc/80/01/84/584800184.db2.gz DQSIDDVUXQTRAF-BPCQOVAHSA-N 1 3 210.365 2.106 20 0 BEADHO CCOCC[N@@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903812881 584803549 /nfs/dbraw/zinc/80/35/49/584803549.db2.gz ACGZUEKYPTXBDW-CYBMUJFWSA-N 1 3 240.391 2.006 20 0 BEADHO CCOCC[N@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903812881 584803550 /nfs/dbraw/zinc/80/35/50/584803550.db2.gz ACGZUEKYPTXBDW-CYBMUJFWSA-N 1 3 240.391 2.006 20 0 BEADHO CCCCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903849579 584808014 /nfs/dbraw/zinc/80/80/14/584808014.db2.gz DJSHFTZXKZEKQX-QWHCGFSZSA-N 1 3 210.365 2.380 20 0 BEADHO Cc1ccc(CCN2CC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855091 584809005 /nfs/dbraw/zinc/80/90/05/584809005.db2.gz LIFGVQFIMJWEGT-HZPDHXFCSA-N 1 3 244.382 2.351 20 0 BEADHO CC(C)=CCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856534 584809135 /nfs/dbraw/zinc/80/91/35/584809135.db2.gz ABFUZHQDEOEACN-QWHCGFSZSA-N 1 3 208.349 2.156 20 0 BEADHO [NH3+]C[C@]12CC[C@@H]1CCN2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858898 584810835 /nfs/dbraw/zinc/81/08/35/584810835.db2.gz KBRNKZVMNWOHKY-APIJFGDWSA-N 1 3 234.387 2.236 20 0 BEADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCCc1ccccc1 ZINC000903858698 584810952 /nfs/dbraw/zinc/81/09/52/584810952.db2.gz YEHWTIPMXIFRJD-HZPDHXFCSA-N 1 3 244.382 2.432 20 0 BEADHO [NH3+]C[C@@]12CC[C@H]1CCN2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858904 584811343 /nfs/dbraw/zinc/81/13/43/584811343.db2.gz KBRNKZVMNWOHKY-QPSCCSFWSA-N 1 3 234.387 2.236 20 0 BEADHO C[C@H]1CC[N@H+](C[C@@H](N)CC(F)F)CC12CCC2 ZINC000903913466 584822827 /nfs/dbraw/zinc/82/28/27/584822827.db2.gz CNUYCZTYIIHYBS-QWRGUYRKSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@@H](N)CC(F)F)CC12CCC2 ZINC000903913466 584822829 /nfs/dbraw/zinc/82/28/29/584822829.db2.gz CNUYCZTYIIHYBS-QWRGUYRKSA-N 1 3 246.345 2.481 20 0 BEADHO COc1ccccc1/C=C/CNCCC(C)(C)[NH3+] ZINC000903938841 584826904 /nfs/dbraw/zinc/82/69/04/584826904.db2.gz MSEMOLYCNFRXFJ-SOFGYWHQSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H]1C[C@H](CNCc2cc(C3CC3)no2)CC[NH2+]1 ZINC000903954094 584831678 /nfs/dbraw/zinc/83/16/78/584831678.db2.gz QAARVUBPEMDOAN-GHMZBOCLSA-N 1 3 249.358 2.030 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000903963588 584833560 /nfs/dbraw/zinc/83/35/60/584833560.db2.gz BQFXGNDWFPURBZ-FMKGYKFTSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963708 584833589 /nfs/dbraw/zinc/83/35/89/584833589.db2.gz GNVLYFZQLVICAY-KXUCPTDWSA-N 1 3 238.297 2.305 20 0 BEADHO CCC1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC000903963720 584833691 /nfs/dbraw/zinc/83/36/91/584833691.db2.gz GYCICCYRIUQONO-IKWCTNDRSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000903965048 584834470 /nfs/dbraw/zinc/83/44/70/584834470.db2.gz YUZQWJHRJDZLIN-MROQNXINSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000903965025 584834487 /nfs/dbraw/zinc/83/44/87/584834487.db2.gz YLAFTAMIGKZEJC-QNWHQSFQSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](Cc1ccsc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967360 584834921 /nfs/dbraw/zinc/83/49/21/584834921.db2.gz IHJDZLDZJUFXKN-MDZLAQPJSA-N 1 3 238.400 2.124 20 0 BEADHO COC[C@@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904321021 584863778 /nfs/dbraw/zinc/86/37/78/584863778.db2.gz TXHPMMYWKQXQTG-OLZOCXBDSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904321021 584863780 /nfs/dbraw/zinc/86/37/80/584863780.db2.gz TXHPMMYWKQXQTG-OLZOCXBDSA-N 1 3 242.407 2.108 20 0 BEADHO COc1ccccc1[C@@H](C)NC1CC(C[NH3+])C1 ZINC000904360679 584872188 /nfs/dbraw/zinc/87/21/88/584872188.db2.gz NZGULVJEMBYVHG-VOMCLLRMSA-N 1 3 234.343 2.083 20 0 BEADHO C[C@@]1(C[NH2+]CC2CCC(F)CC2)CCCNC1 ZINC000904373771 584873984 /nfs/dbraw/zinc/87/39/84/584873984.db2.gz IYUVYLAMMJJGNI-JXQTWKCFSA-N 1 3 242.382 2.494 20 0 BEADHO C[C@]1(C[NH2+]CC2CCC(F)CC2)CCCNC1 ZINC000904373776 584874107 /nfs/dbraw/zinc/87/41/07/584874107.db2.gz IYUVYLAMMJJGNI-RUXDESIVSA-N 1 3 242.382 2.494 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CNC[C@]1(C)CCCO1 ZINC000904366852 584875011 /nfs/dbraw/zinc/87/50/11/584875011.db2.gz RHHCPNLTXWVXSW-JSGCOSHPSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H](NC1CC(C[NH3+])C1)c1c(F)cccc1F ZINC000904389349 584875376 /nfs/dbraw/zinc/87/53/76/584875376.db2.gz KTLLVBYUUDOKBB-IDKOKCKLSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@@H](CNC[C@@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000904377397 584875948 /nfs/dbraw/zinc/87/59/48/584875948.db2.gz PTUHMDOGRZFEJC-ZFWWWQNUSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccccn1 ZINC000904377397 584875949 /nfs/dbraw/zinc/87/59/49/584875949.db2.gz PTUHMDOGRZFEJC-ZFWWWQNUSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccncc1 ZINC000904381596 584877123 /nfs/dbraw/zinc/87/71/23/584877123.db2.gz ZLQWTGGBMSSBCL-HIFRSBDPSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](CNC[C@@]1(C)CCC[NH2+]C1)c1ccncc1 ZINC000904381596 584877124 /nfs/dbraw/zinc/87/71/24/584877124.db2.gz ZLQWTGGBMSSBCL-HIFRSBDPSA-N 1 3 247.386 2.164 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN[C@@H]2c3ccccc3CC[C@H]2F)C1 ZINC000904386173 584877960 /nfs/dbraw/zinc/87/79/60/584877960.db2.gz RHVIEBZAIHRMPF-DZGBDDFRSA-N 1 3 248.345 2.339 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000904419547 584882246 /nfs/dbraw/zinc/88/22/46/584882246.db2.gz WZXDXGJGOXAFRM-SQWLQELKSA-N 1 3 246.398 2.392 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000904419547 584882247 /nfs/dbraw/zinc/88/22/47/584882247.db2.gz WZXDXGJGOXAFRM-SQWLQELKSA-N 1 3 246.398 2.392 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817979519 584995032 /nfs/dbraw/zinc/99/50/32/584995032.db2.gz LEMBSUQVMVWGGO-OCCSQVGLSA-N 1 3 218.344 2.309 20 0 BEADHO C[C@@H](c1ccccn1)N(C)CC1CC[NH+](C)CC1 ZINC000750043120 585209535 /nfs/dbraw/zinc/20/95/35/585209535.db2.gz RGPKEAKAXJZLCH-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO C[Si](C)(C)C[NH+]1CCN(c2ccncc2)CC1 ZINC000753910146 585271925 /nfs/dbraw/zinc/27/19/25/585271925.db2.gz OUUIORRUKJXTCN-UHFFFAOYSA-N 1 3 249.434 2.081 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000769528248 585558677 /nfs/dbraw/zinc/55/86/77/585558677.db2.gz UVNQZSGLPGKCLI-POSLAHMBSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H](CCO)NCCC[N@H+](C)C1CCCCC1 ZINC000779343867 585752089 /nfs/dbraw/zinc/75/20/89/585752089.db2.gz UOQCTLMNCILRJZ-CYBMUJFWSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@H](CCO)NCCC[N@@H+](C)C1CCCCC1 ZINC000779343867 585752090 /nfs/dbraw/zinc/75/20/90/585752090.db2.gz UOQCTLMNCILRJZ-CYBMUJFWSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000782192943 585811616 /nfs/dbraw/zinc/81/16/16/585811616.db2.gz XDIGJUWYUZZWBJ-XBFCOCLRSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000782192943 585811617 /nfs/dbraw/zinc/81/16/17/585811617.db2.gz XDIGJUWYUZZWBJ-XBFCOCLRSA-N 1 3 222.376 2.201 20 0 BEADHO C[NH+]1CCC2(CCCN(CC3(F)CC3)C2)CC1 ZINC000798957537 586154391 /nfs/dbraw/zinc/15/43/91/586154391.db2.gz ZWJRBSZUUYATPO-UHFFFAOYSA-N 1 3 240.366 2.296 20 0 BEADHO CCCN(CCC[NH+](C)C)C[C@@H]1CCC=CO1 ZINC000809757792 586517558 /nfs/dbraw/zinc/51/75/58/586517558.db2.gz XWBHABJJKYDWFT-AWEZNQCLSA-N 1 3 240.391 2.343 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1ccccc1 ZINC000817900079 586835929 /nfs/dbraw/zinc/83/59/29/586835929.db2.gz KCTFUGMOVDZONE-ZFWWWQNUSA-N 1 3 247.386 2.076 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+]C1CCNCC1 ZINC000817936877 586844055 /nfs/dbraw/zinc/84/40/55/586844055.db2.gz RYANTABBUIZTDE-SNVBAGLBSA-N 1 3 230.421 2.248 20 0 BEADHO C[C@H](CSC(C)(C)C)NC1CC[NH2+]CC1 ZINC000817936877 586844057 /nfs/dbraw/zinc/84/40/57/586844057.db2.gz RYANTABBUIZTDE-SNVBAGLBSA-N 1 3 230.421 2.248 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1ccccc1 ZINC000817900076 586836515 /nfs/dbraw/zinc/83/65/15/586836515.db2.gz KCTFUGMOVDZONE-HIFRSBDPSA-N 1 3 247.386 2.076 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCSC(C)(C)C ZINC000817907647 586836919 /nfs/dbraw/zinc/83/69/19/586836919.db2.gz GZZKDTQVEUNYOX-NWDGAFQWSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000817907647 586836921 /nfs/dbraw/zinc/83/69/21/586836921.db2.gz GZZKDTQVEUNYOX-NWDGAFQWSA-N 1 3 244.448 2.496 20 0 BEADHO Cc1cccc(OCCCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000817907775 586837554 /nfs/dbraw/zinc/83/75/54/586837554.db2.gz WETJPPWQBRKENW-GJZGRUSLSA-N 1 3 248.370 2.233 20 0 BEADHO CC[NH2+]CCCN[C@H](C)CSC(C)(C)C ZINC000817944151 586841074 /nfs/dbraw/zinc/84/10/74/586841074.db2.gz YECACQKYXQQXDZ-LLVKDONJSA-N 1 3 232.437 2.496 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)CSC(C)(C)C ZINC000817951109 586841216 /nfs/dbraw/zinc/84/12/16/586841216.db2.gz BLXNURFNEIBWRZ-UWVGGRQHSA-N 1 3 218.410 2.234 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000817954232 586848687 /nfs/dbraw/zinc/84/86/87/586848687.db2.gz XNKRMWROYARVIZ-RWMBFGLXSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(Cl)nc1 ZINC000817959749 586852099 /nfs/dbraw/zinc/85/20/99/586852099.db2.gz IDNROKIADGFTNC-LDYMZIIASA-N 1 3 239.750 2.123 20 0 BEADHO CCCNCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000817963980 586854026 /nfs/dbraw/zinc/85/40/26/586854026.db2.gz ZTMIWSYKWJZFFZ-NSHDSACASA-N 1 3 232.437 2.496 20 0 BEADHO NCc1ccccc1OCCCCCCC[NH3+] ZINC000818617245 586907533 /nfs/dbraw/zinc/90/75/33/586907533.db2.gz BFAJRABACWTVRG-UHFFFAOYSA-N 1 3 236.359 2.433 20 0 BEADHO N[C@H](C[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000841050737 587940130 /nfs/dbraw/zinc/94/01/30/587940130.db2.gz SUCHAXCEEUNOPD-OAHLLOKOSA-N 1 3 241.338 2.062 20 0 BEADHO C[C@@H](CCCC[NH3+])NCc1cccnc1Cl ZINC000841080528 587944884 /nfs/dbraw/zinc/94/48/84/587944884.db2.gz SDNIRZDRJIMLDJ-JTQLQIEISA-N 1 3 241.766 2.342 20 0 BEADHO C1C[C@@H]([NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CN1 ZINC000863488055 589293711 /nfs/dbraw/zinc/29/37/11/589293711.db2.gz DQEKDOYOTGQRDT-YIYPIFLZSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CC[C@H](CN[C@@H]2CCCC[C@H]2[NH3+])OC1 ZINC000866667423 589510076 /nfs/dbraw/zinc/51/00/76/589510076.db2.gz LZTZTJBNURNBGM-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H](OC2CCC2)CC1 ZINC000866696921 589512840 /nfs/dbraw/zinc/51/28/40/589512840.db2.gz CFPKQARUHMTRQU-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)OCC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705268 589514402 /nfs/dbraw/zinc/51/44/02/589514402.db2.gz WOFJYTOUPWHEJT-AWEZNQCLSA-N 1 3 242.407 2.108 20 0 BEADHO CC(C)OCC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705268 589514403 /nfs/dbraw/zinc/51/44/03/589514403.db2.gz WOFJYTOUPWHEJT-AWEZNQCLSA-N 1 3 242.407 2.108 20 0 BEADHO CCC(CC)C[NH2+]C1(CCOC)CCNCC1 ZINC000873224636 590001106 /nfs/dbraw/zinc/00/11/06/590001106.db2.gz JFGJWMHTEGQUGF-UHFFFAOYSA-N 1 3 242.407 2.171 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000873235973 590004571 /nfs/dbraw/zinc/00/45/71/590004571.db2.gz SBSDUSMOFMYDFZ-JHJVBQTASA-N 1 3 242.432 2.107 20 0 BEADHO CC[C@@H]([NH2+]CC[C@@H]1CCSC1)[C@@H]1CCCN1 ZINC000873235515 590004891 /nfs/dbraw/zinc/00/48/91/590004891.db2.gz NIQUBURMSPTYOG-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873238968 590005231 /nfs/dbraw/zinc/00/52/31/590005231.db2.gz KQSVPWGASAJAKJ-MROQNXINSA-N 1 3 228.355 2.374 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cccc(F)c1F ZINC000873249506 590007405 /nfs/dbraw/zinc/00/74/05/590007405.db2.gz AQPZWAMSRXHWQJ-BBBLOLIVSA-N 1 3 240.297 2.353 20 0 BEADHO Cc1cc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)oc1C ZINC000873249295 590007613 /nfs/dbraw/zinc/00/76/13/590007613.db2.gz KJIHFODGPKADQG-JLLWLGSASA-N 1 3 222.332 2.284 20 0 BEADHO CC[C@@H](NCCC(C)(C)COC)[C@@H]1CCC[NH2+]1 ZINC000873279212 590017908 /nfs/dbraw/zinc/01/79/08/590017908.db2.gz DYZRHLZDTFRUON-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@@H]([NH2+]CCC(C)(C)COC)[C@@H]1CCCN1 ZINC000873279212 590017909 /nfs/dbraw/zinc/01/79/09/590017909.db2.gz DYZRHLZDTFRUON-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000873282305 590018308 /nfs/dbraw/zinc/01/83/08/590018308.db2.gz SYOMZMQSLIKMDE-HZSPNIEDSA-N 1 3 222.376 2.450 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NC1CC(Nc2ccccc2)C1 ZINC000873295293 590024019 /nfs/dbraw/zinc/02/40/19/590024019.db2.gz DZJCTGJEOGJGPX-RMNLLRHXSA-N 1 3 247.386 2.345 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295293 590024023 /nfs/dbraw/zinc/02/40/23/590024023.db2.gz DZJCTGJEOGJGPX-RMNLLRHXSA-N 1 3 247.386 2.345 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NC1CC(Nc2ccccc2)C1 ZINC000873295292 590024398 /nfs/dbraw/zinc/02/43/98/590024398.db2.gz DZJCTGJEOGJGPX-HGWMRPEMSA-N 1 3 247.386 2.345 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295292 590024399 /nfs/dbraw/zinc/02/43/99/590024399.db2.gz DZJCTGJEOGJGPX-HGWMRPEMSA-N 1 3 247.386 2.345 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000877074129 590278408 /nfs/dbraw/zinc/27/84/08/590278408.db2.gz ZSTBVNOCRSZXFP-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)SCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140832 590941114 /nfs/dbraw/zinc/94/11/14/590941114.db2.gz DGDBZRCPQWJYSK-STQMWFEESA-N 1 3 242.432 2.297 20 0 BEADHO CC(C)SCCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140832 590941116 /nfs/dbraw/zinc/94/11/16/590941116.db2.gz DGDBZRCPQWJYSK-STQMWFEESA-N 1 3 242.432 2.297 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259550 590979823 /nfs/dbraw/zinc/97/98/23/590979823.db2.gz WAPLJJHDWAPPTG-MCIONIFRSA-N 1 3 245.370 2.248 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259550 590979827 /nfs/dbraw/zinc/97/98/27/590979827.db2.gz WAPLJJHDWAPPTG-MCIONIFRSA-N 1 3 245.370 2.248 20 0 BEADHO CCSCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473093 591053127 /nfs/dbraw/zinc/05/31/27/591053127.db2.gz PDAYUHBXRVSUMY-UHFFFAOYSA-N 1 3 242.432 2.300 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CCC2(CCC2)O1 ZINC000883418833 591653740 /nfs/dbraw/zinc/65/37/40/591653740.db2.gz SZGPHRVQSRQGAZ-QWHCGFSZSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883424099 591659387 /nfs/dbraw/zinc/65/93/87/591659387.db2.gz GBEXPGHCUCBGQQ-QJPTWQEYSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC(C)(C)OC1(C)C ZINC000883429844 591662031 /nfs/dbraw/zinc/66/20/31/591662031.db2.gz GFSTXTXNBNSZLP-SRVKXCTJSA-N 1 3 240.391 2.002 20 0 BEADHO [NH3+]CCCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883462774 591673830 /nfs/dbraw/zinc/67/38/30/591673830.db2.gz ZMJACJQSHCUKFY-FZMZJTMJSA-N 1 3 216.328 2.270 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCNC1)C2 ZINC000132241562 591695974 /nfs/dbraw/zinc/69/59/74/591695974.db2.gz KUATWQTZEKAICM-CZUORRHYSA-N 1 3 244.382 2.133 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000134807625 591950703 /nfs/dbraw/zinc/95/07/03/591950703.db2.gz CYTVXHVKYVZDFE-YNEHKIRRSA-N 1 3 242.432 2.344 20 0 BEADHO C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000886840150 592359807 /nfs/dbraw/zinc/35/98/07/592359807.db2.gz USGDZIHKHJGHSW-PMPSAXMXSA-N 1 3 248.414 2.498 20 0 BEADHO CC(C)C[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887131289 592448599 /nfs/dbraw/zinc/44/85/99/592448599.db2.gz VABXDWYBWOIKDP-ZDUSSCGKSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)C[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887131289 592448602 /nfs/dbraw/zinc/44/86/02/592448602.db2.gz VABXDWYBWOIKDP-ZDUSSCGKSA-N 1 3 233.359 2.248 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CCCC1CC1 ZINC000300833805 592520819 /nfs/dbraw/zinc/52/08/19/592520819.db2.gz KVVLDJJRCQRVKZ-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001258335132 991260423 /nfs/dbraw/zinc/26/04/23/991260423.db2.gz XFIUVFMPDHFRIB-WDEREUQCSA-N 1 3 232.437 2.433 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001258335132 991260430 /nfs/dbraw/zinc/26/04/30/991260430.db2.gz XFIUVFMPDHFRIB-WDEREUQCSA-N 1 3 232.437 2.433 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC12CCC2)CC(F)F ZINC000925707239 634394498 /nfs/dbraw/zinc/39/44/98/634394498.db2.gz DPHFRXGCKSDVOH-VHSXEESVSA-N 1 3 232.318 2.152 20 0 BEADHO CC1(C[N@@H+]2CC[C@@]3(C2)CCCNC3)CCC1 ZINC000334350285 634456857 /nfs/dbraw/zinc/45/68/57/634456857.db2.gz FCQFLDHFXYBBSD-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO CC1(C[N@H+]2CC[C@@]3(C2)CCCNC3)CCC1 ZINC000334350285 634456860 /nfs/dbraw/zinc/45/68/60/634456860.db2.gz FCQFLDHFXYBBSD-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO [NH3+]CC[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000125552843 634546178 /nfs/dbraw/zinc/54/61/78/634546178.db2.gz KGTSSJOJBNDCKF-SNVBAGLBSA-N 1 3 240.297 2.136 20 0 BEADHO CC[C@@H](NC[C@@H]1C=CCC1)[C@@H]1CCC[NH2+]1 ZINC000925731452 634563189 /nfs/dbraw/zinc/56/31/89/634563189.db2.gz KSEGKQQYKIEFDB-UPJWGTAASA-N 1 3 208.349 2.073 20 0 BEADHO CC[C@@H](NC[C@H]1C=CCC1)[C@@H]1CCC[NH2+]1 ZINC000925731453 634565251 /nfs/dbraw/zinc/56/52/51/634565251.db2.gz KSEGKQQYKIEFDB-XQQFMLRXSA-N 1 3 208.349 2.073 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732458 634572949 /nfs/dbraw/zinc/57/29/49/634572949.db2.gz BEGUKURZNOSUFY-QWHCGFSZSA-N 1 3 222.376 2.284 20 0 BEADHO CC[C@@H](NCCC(C)(C)[NH3+])c1ccncc1 ZINC000925736483 634590574 /nfs/dbraw/zinc/59/05/74/634590574.db2.gz AJFZJEHXWOFFFV-GFCCVEGCSA-N 1 3 221.348 2.250 20 0 BEADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc2c(c1)COC2 ZINC000925740353 634599163 /nfs/dbraw/zinc/59/91/63/634599163.db2.gz JOFAXPWZZCSXGQ-LLVKDONJSA-N 1 3 248.370 2.495 20 0 BEADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc2c(c1)CCO2 ZINC000925741852 634604098 /nfs/dbraw/zinc/60/40/98/634604098.db2.gz UXNHEYVZPHRJNK-LLVKDONJSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000226076496 635422361 /nfs/dbraw/zinc/42/23/61/635422361.db2.gz PDQFXLZQKGGREX-NILFDRSVSA-N 1 3 248.370 2.128 20 0 BEADHO C[C@H](CC[NH+](C)C)NC[C@H]1CC1(Cl)Cl ZINC000308695400 631356412 /nfs/dbraw/zinc/35/64/12/631356412.db2.gz STNFAOWEDDQDMB-RKDXNWHRSA-N 1 3 239.190 2.110 20 0 BEADHO CC[C@@H](C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000848980946 631842164 /nfs/dbraw/zinc/84/21/64/631842164.db2.gz MHVFTLUVYZFLSR-GFCCVEGCSA-N 1 3 242.411 2.018 20 0 BEADHO CC[C@@H](C)C[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219753302 632561884 /nfs/dbraw/zinc/56/18/84/632561884.db2.gz QHCBIGODYLZGAA-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H](C)C[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219753302 632561889 /nfs/dbraw/zinc/56/18/89/632561889.db2.gz QHCBIGODYLZGAA-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H]([NH2+]CCCN(C)C)c1ccnc(Cl)c1 ZINC000151938039 632789520 /nfs/dbraw/zinc/78/95/20/632789520.db2.gz HGHCHVQHDICPMP-JTQLQIEISA-N 1 3 241.766 2.337 20 0 BEADHO CC(C)[NH+](CCN[C@H](C)C(C)(C)CO)C(C)C ZINC000924555418 632830320 /nfs/dbraw/zinc/83/03/20/632830320.db2.gz HTJBFSKUXWEZCL-CYBMUJFWSA-N 1 3 244.423 2.102 20 0 BEADHO CC(C)[NH+](CCN[C@@H](C)C(C)(C)CO)C(C)C ZINC000924555423 632830756 /nfs/dbraw/zinc/83/07/56/632830756.db2.gz HTJBFSKUXWEZCL-ZDUSSCGKSA-N 1 3 244.423 2.102 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCCC1 ZINC000926717964 632866427 /nfs/dbraw/zinc/86/64/27/632866427.db2.gz XOPGQYTVAUBUER-PBWFPOADSA-N 1 3 220.360 2.027 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCC[C@@H]2CCOC2)c2ccccc21 ZINC000236308009 632916847 /nfs/dbraw/zinc/91/68/47/632916847.db2.gz TWKVMURXPCOGGI-DFBGVHRSSA-N 1 3 246.354 2.147 20 0 BEADHO CCCN1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000924580802 633032742 /nfs/dbraw/zinc/03/27/42/633032742.db2.gz YXZNKGXOADRIJG-GFCCVEGCSA-N 1 3 248.374 2.002 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925503609 633829841 /nfs/dbraw/zinc/82/98/41/633829841.db2.gz KQIRACGWZXBUFZ-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO CCCC[C@H](COC)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925503609 633829842 /nfs/dbraw/zinc/82/98/42/633829842.db2.gz KQIRACGWZXBUFZ-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO FCCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925677634 634269632 /nfs/dbraw/zinc/26/96/32/634269632.db2.gz XFPHPFIXFLSYBI-KGLIPLIRSA-N 1 3 242.382 2.494 20 0 BEADHO CC[C@@H]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925679690 634277031 /nfs/dbraw/zinc/27/70/31/634277031.db2.gz LSAJYYOZZABUFH-FFNDWZFNSA-N 1 3 248.414 2.399 20 0 BEADHO Cc1cc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925680745 634278360 /nfs/dbraw/zinc/27/83/60/634278360.db2.gz TVQFBMOWCWZVIA-KGLIPLIRSA-N 1 3 247.386 2.386 20 0 BEADHO COC[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000925874400 635595170 /nfs/dbraw/zinc/59/51/70/635595170.db2.gz RKCNJGZZEZPBHY-BFHYXJOUSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000925874411 635596023 /nfs/dbraw/zinc/59/60/23/635596023.db2.gz RKCNJGZZEZPBHY-MELADBBJSA-N 1 3 242.407 2.025 20 0 BEADHO [NH3+]C[C@H]1CCN(CCOC2CCCCCC2)C1 ZINC000430947395 636371481 /nfs/dbraw/zinc/37/14/81/636371481.db2.gz DQOGNGWUIMCEOT-CYBMUJFWSA-N 1 3 240.391 2.006 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)CCc1cccnc1)CN(C)C ZINC000866364812 636882072 /nfs/dbraw/zinc/88/20/72/636882072.db2.gz QBZNNUXKIWUGEW-KGLIPLIRSA-N 1 3 249.402 2.190 20 0 BEADHO FC(F)(F)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000086727458 636887985 /nfs/dbraw/zinc/88/79/85/636887985.db2.gz LLCPRBAJNQAQAY-RTBKNWGFSA-N 1 3 236.281 2.059 20 0 BEADHO N[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000041027713 636950394 /nfs/dbraw/zinc/95/03/94/636950394.db2.gz KLMUQWHZPDMFFJ-DZGCQCFKSA-N 1 3 230.355 2.487 20 0 BEADHO N[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000041027713 636950398 /nfs/dbraw/zinc/95/03/98/636950398.db2.gz KLMUQWHZPDMFFJ-DZGCQCFKSA-N 1 3 230.355 2.487 20 0 BEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCc1cccc(F)c1)C2 ZINC000903841642 637385334 /nfs/dbraw/zinc/38/53/34/637385334.db2.gz YXKSLJXENFAEGE-QEJZJMRPSA-N 1 3 248.345 2.180 20 0 BEADHO CC(C)(C[NH3+])C1CCN(CC2(F)CC2)CC1 ZINC000904445889 637414269 /nfs/dbraw/zinc/41/42/69/637414269.db2.gz TZWNSGPINAFAAV-UHFFFAOYSA-N 1 3 228.355 2.185 20 0 BEADHO NC1(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000904449767 637414967 /nfs/dbraw/zinc/41/49/67/637414967.db2.gz MMGQVOMYSBVGRM-UHFFFAOYSA-N 1 3 244.260 2.286 20 0 BEADHO C[C@@H](CCc1ccccc1)C[NH2+][C@H]1C[C@H](N)C1 ZINC000906518353 638188501 /nfs/dbraw/zinc/18/85/01/638188501.db2.gz XDDSTAHYIAENGA-QEJZJMRPSA-N 1 3 232.371 2.335 20 0 BEADHO CC[C@H](C)C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931351302 640167576 /nfs/dbraw/zinc/16/75/76/640167576.db2.gz KQWHWQXNTQRKTN-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)CN1CCC(C)([NH+](C)C)CC1 ZINC000931351302 640167580 /nfs/dbraw/zinc/16/75/80/640167580.db2.gz KQWHWQXNTQRKTN-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164646012 640493196 /nfs/dbraw/zinc/49/31/96/640493196.db2.gz JHSGXEFDUZQBCQ-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CCCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164646012 640493201 /nfs/dbraw/zinc/49/32/01/640493201.db2.gz JHSGXEFDUZQBCQ-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000224206845 640605739 /nfs/dbraw/zinc/60/57/39/640605739.db2.gz AXCCSGLZYHMTOD-STQMWFEESA-N 1 3 218.344 2.071 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000224206845 640605744 /nfs/dbraw/zinc/60/57/44/640605744.db2.gz AXCCSGLZYHMTOD-STQMWFEESA-N 1 3 218.344 2.071 20 0 BEADHO C[N@@H+]1C[C@@H]2CN(CCc3ccccc3)C[C@]2(C)C1 ZINC000933736023 640756162 /nfs/dbraw/zinc/75/61/62/640756162.db2.gz QKZRWESRUXUWEN-CVEARBPZSA-N 1 3 244.382 2.113 20 0 BEADHO C[N@H+]1C[C@@H]2CN(CCc3ccccc3)C[C@]2(C)C1 ZINC000933736023 640756164 /nfs/dbraw/zinc/75/61/64/640756164.db2.gz QKZRWESRUXUWEN-CVEARBPZSA-N 1 3 244.382 2.113 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000227126938 640817088 /nfs/dbraw/zinc/81/70/88/640817088.db2.gz BZASSFVPXIYXQK-HZSPNIEDSA-N 1 3 222.376 2.450 20 0 BEADHO NC1CC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000087651572 640957592 /nfs/dbraw/zinc/95/75/92/640957592.db2.gz UXARPYILYBLTDX-FMLYDFSMSA-N 1 3 236.281 2.187 20 0 BEADHO CC[N@H+](CC1CCC1)C[C@@]1(C)CCCNC1 ZINC000230321326 641047816 /nfs/dbraw/zinc/04/78/16/641047816.db2.gz RSZNYUIVEAMPQU-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC[N@@H+](CC1CCC1)C[C@@]1(C)CCCNC1 ZINC000230321326 641047819 /nfs/dbraw/zinc/04/78/19/641047819.db2.gz RSZNYUIVEAMPQU-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000062862425 641099808 /nfs/dbraw/zinc/09/98/08/641099808.db2.gz NGRCDJBPRXJIQL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)[C@@H](C)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862065 641099829 /nfs/dbraw/zinc/09/98/29/641099829.db2.gz POZKBXFBYCFORJ-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)[C@@H](C)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862065 641099836 /nfs/dbraw/zinc/09/98/36/641099836.db2.gz POZKBXFBYCFORJ-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@]2(C)CCCNC2)C1 ZINC000062861773 641100611 /nfs/dbraw/zinc/10/06/11/641100611.db2.gz STIHNLVQLMFBQI-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CCc1cccs1 ZINC000069721204 642411425 /nfs/dbraw/zinc/41/14/25/642411425.db2.gz HWOBIDWYDQEPSB-GFCCVEGCSA-N 1 3 238.400 2.494 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000069721204 642411433 /nfs/dbraw/zinc/41/14/33/642411433.db2.gz HWOBIDWYDQEPSB-GFCCVEGCSA-N 1 3 238.400 2.494 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000069721204 642411440 /nfs/dbraw/zinc/41/14/40/642411440.db2.gz HWOBIDWYDQEPSB-GFCCVEGCSA-N 1 3 238.400 2.494 20 0 BEADHO CC[NH2+]CC1CCN(C/C=C/Cl)CC1 ZINC000082645653 643362850 /nfs/dbraw/zinc/36/28/50/643362850.db2.gz KHPHWYIDYNEORC-ZZXKWVIFSA-N 1 3 216.756 2.060 20 0 BEADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCC1 ZINC000084222015 643651249 /nfs/dbraw/zinc/65/12/49/643651249.db2.gz WTFHSDCPEGQPSB-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO Cc1ncsc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216804 643651260 /nfs/dbraw/zinc/65/12/60/643651260.db2.gz NTNYQFDCGIOWMU-MNOVXSKESA-N 1 3 239.388 2.059 20 0 BEADHO Cc1ccsc1CNCCC(C)(C)[NH3+] ZINC000087310026 643654350 /nfs/dbraw/zinc/65/43/50/643654350.db2.gz FQLDNHHIJFLGIW-UHFFFAOYSA-N 1 3 212.362 2.274 20 0 BEADHO CC[C@H](C)C[N@H+](CC)CCCNC1CC1 ZINC000086437506 644134210 /nfs/dbraw/zinc/13/42/10/644134210.db2.gz AQKVJQJPXSFKLR-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)C[N@@H+](CC)CCCNC1CC1 ZINC000086437506 644134213 /nfs/dbraw/zinc/13/42/13/644134213.db2.gz AQKVJQJPXSFKLR-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC1CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000086728865 644170516 /nfs/dbraw/zinc/17/05/16/644170516.db2.gz OXLWLHIGXRSNPU-BPCQOVAHSA-N 1 3 210.365 2.154 20 0 BEADHO C[N@H+](CCCNC1CC1)C(C1CC1)C1CC1 ZINC000923310523 644345841 /nfs/dbraw/zinc/34/58/41/644345841.db2.gz IOZZAFOZELZNHK-UHFFFAOYSA-N 1 3 222.376 2.249 20 0 BEADHO C[N@@H+](CCCNC1CC1)C(C1CC1)C1CC1 ZINC000923310523 644345848 /nfs/dbraw/zinc/34/58/48/644345848.db2.gz IOZZAFOZELZNHK-UHFFFAOYSA-N 1 3 222.376 2.249 20 0 BEADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3cccc(F)c3)C[C@@H]12 ZINC000923331778 644361235 /nfs/dbraw/zinc/36/12/35/644361235.db2.gz ICQRRIFGFUIMFO-NWANDNLSSA-N 1 3 248.345 2.037 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2cccs2)C1 ZINC000086402358 644466680 /nfs/dbraw/zinc/46/66/80/644466680.db2.gz OOMHDUHLHGEJSH-UWVGGRQHSA-N 1 3 210.346 2.108 20 0 BEADHO Cc1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923519224 644482638 /nfs/dbraw/zinc/48/26/38/644482638.db2.gz KROGKMGHGYDQGV-LSDHHAIUSA-N 1 3 230.355 2.036 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923534213 644490280 /nfs/dbraw/zinc/49/02/80/644490280.db2.gz RNVGWFNPDIKXFZ-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923534213 644490283 /nfs/dbraw/zinc/49/02/83/644490283.db2.gz RNVGWFNPDIKXFZ-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCN(CCc2cccs2)C[C@H]1C[NH3+] ZINC000253202449 644944011 /nfs/dbraw/zinc/94/40/11/644944011.db2.gz YXIKOPUIGYRLET-VXGBXAGGSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H]1CC[N@H+](CCc2cccs2)C[C@H]1CN ZINC000253202449 644944014 /nfs/dbraw/zinc/94/40/14/644944014.db2.gz YXIKOPUIGYRLET-VXGBXAGGSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H]1CC[N@@H+](CCc2cccs2)C[C@H]1CN ZINC000253202449 644944018 /nfs/dbraw/zinc/94/40/18/644944018.db2.gz YXIKOPUIGYRLET-VXGBXAGGSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2CN)C[C@]1(F)Cl ZINC000844926578 645350416 /nfs/dbraw/zinc/35/04/16/645350416.db2.gz YULIPSJORMGUFA-WISYIIOYSA-N 1 3 248.773 2.408 20 0 BEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCCC[C@@H]1F ZINC000926787673 645432306 /nfs/dbraw/zinc/43/23/06/645432306.db2.gz ZEHQOHPLPOXMLO-IZXDZPFWSA-N 1 3 240.366 2.197 20 0 BEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCCC[C@@H]1F ZINC000926787673 645432312 /nfs/dbraw/zinc/43/23/12/645432312.db2.gz ZEHQOHPLPOXMLO-IZXDZPFWSA-N 1 3 240.366 2.197 20 0 BEADHO CCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925487335 645465663 /nfs/dbraw/zinc/46/56/63/645465663.db2.gz CIAUVUZZQVLPHM-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO COC[C@@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000924524707 646046873 /nfs/dbraw/zinc/04/68/73/646046873.db2.gz AWWRQMCMDPRIKH-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO C(N[C@@H]1CC[NH2+]C12CCC2)C(C1CC1)C1CC1 ZINC000925514773 646310701 /nfs/dbraw/zinc/31/07/01/646310701.db2.gz MDNYDAHBHJAYEB-CQSZACIVSA-N 1 3 234.387 2.297 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C(C1CC1)C1CC1 ZINC000925514773 646310705 /nfs/dbraw/zinc/31/07/05/646310705.db2.gz MDNYDAHBHJAYEB-CQSZACIVSA-N 1 3 234.387 2.297 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000929791585 646322843 /nfs/dbraw/zinc/32/28/43/646322843.db2.gz UBGVYPLTJLJZAM-MJBXVCDLSA-N 1 3 224.392 2.306 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000929791585 646322849 /nfs/dbraw/zinc/32/28/49/646322849.db2.gz UBGVYPLTJLJZAM-MJBXVCDLSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]([NH3+])[C@H](NCC1CCOCC1)c1ccccc1 ZINC000925546364 646327346 /nfs/dbraw/zinc/32/73/46/646327346.db2.gz KHXIZYULRAQXMP-DOMZBBRYSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000925585976 646346196 /nfs/dbraw/zinc/34/61/96/646346196.db2.gz QLRDQYOHZVLJLK-ZZVYKPCYSA-N 1 3 236.403 2.399 20 0 BEADHO CC1(C)C[C@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925595396 646351397 /nfs/dbraw/zinc/35/13/97/646351397.db2.gz JVOFGJKDQYGHSY-QNWHQSFQSA-N 1 3 236.403 2.399 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C1(C2CC2)CCC1 ZINC000925622751 646369318 /nfs/dbraw/zinc/36/93/18/646369318.db2.gz PTAQPHOHXICALJ-ZDUSSCGKSA-N 1 3 234.387 2.441 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925641177 646382396 /nfs/dbraw/zinc/38/23/96/646382396.db2.gz BAFFXKFENSFLBT-GFCCVEGCSA-N 1 3 242.432 2.394 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCC2(C(F)(F)F)CC2)C12CCC2 ZINC000925673868 646403793 /nfs/dbraw/zinc/40/37/93/646403793.db2.gz ZJMVQAYFEKCZHG-BDAKNGLRSA-N 1 3 248.292 2.188 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000925686002 646412393 /nfs/dbraw/zinc/41/23/93/646412393.db2.gz PGSMOFJSPHHLRY-LOWDOPEQSA-N 1 3 220.360 2.049 20 0 BEADHO Cc1ccncc1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689369 646414564 /nfs/dbraw/zinc/41/45/64/646414564.db2.gz IESRDSOOINPOQO-UONOGXRCSA-N 1 3 247.386 2.386 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2ccoc2)C1 ZINC000925709034 646432961 /nfs/dbraw/zinc/43/29/61/646432961.db2.gz NRAAXZIZOOCWHS-QWHCGFSZSA-N 1 3 236.359 2.318 20 0 BEADHO C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCC12CC2 ZINC000925719850 646444318 /nfs/dbraw/zinc/44/43/18/646444318.db2.gz VCOAQCMNTCYTKY-QWHCGFSZSA-N 1 3 234.387 2.441 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCCC12CC2 ZINC000925719850 646444324 /nfs/dbraw/zinc/44/43/24/646444324.db2.gz VCOAQCMNTCYTKY-QWHCGFSZSA-N 1 3 234.387 2.441 20 0 BEADHO C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCC12CC2 ZINC000925719848 646444696 /nfs/dbraw/zinc/44/46/96/646444696.db2.gz VCOAQCMNTCYTKY-CHWSQXEVSA-N 1 3 234.387 2.441 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCCC12CC2 ZINC000925719848 646444700 /nfs/dbraw/zinc/44/47/00/646444700.db2.gz VCOAQCMNTCYTKY-CHWSQXEVSA-N 1 3 234.387 2.441 20 0 BEADHO CC(C)(F)CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925723879 646450631 /nfs/dbraw/zinc/45/06/31/646450631.db2.gz DDXJPGPQWXTNOJ-UWVGGRQHSA-N 1 3 216.344 2.230 20 0 BEADHO C[C@@H](NC[C@H]1C=CCC1)[C@H]1CCCC[NH2+]1 ZINC000925731525 646456964 /nfs/dbraw/zinc/45/69/64/646456964.db2.gz LTDYEMPQCXLTDJ-FRRDWIJNSA-N 1 3 208.349 2.073 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C1(CC2CC2)CC1 ZINC000925734989 646457805 /nfs/dbraw/zinc/45/78/05/646457805.db2.gz WPJGWKBTRNQNQT-CYBMUJFWSA-N 1 3 234.387 2.441 20 0 BEADHO FC1(F)CCC[C@H]1CC[NH2+]C1CCNCC1 ZINC000925735807 646459936 /nfs/dbraw/zinc/45/99/36/646459936.db2.gz ILSGHPXHEAPYOW-JTQLQIEISA-N 1 3 232.318 2.154 20 0 BEADHO C[C@@H](NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000925771312 646470544 /nfs/dbraw/zinc/47/05/44/646470544.db2.gz ATAGNTRXLCHCLL-PEZGRIKUSA-N 1 3 236.403 2.399 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925793198 646485605 /nfs/dbraw/zinc/48/56/05/646485605.db2.gz XRHBLBUTDYUKRM-INWMFGNUSA-N 1 3 244.382 2.427 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(C)CC1 ZINC000926328182 646617582 /nfs/dbraw/zinc/61/75/82/646617582.db2.gz YHSNQELFEHMONC-FUNVUKJBSA-N 1 3 222.376 2.106 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)CN(C)C ZINC000926475776 646653828 /nfs/dbraw/zinc/65/38/28/646653828.db2.gz WRQLENAYLVIRRR-UWVGGRQHSA-N 1 3 234.334 2.208 20 0 BEADHO CC[C@H]1CN(CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000718709723 711663266 /nfs/dbraw/zinc/66/32/66/711663266.db2.gz UZEIRUQDIMJTKU-QWRGUYRKSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCCC12CC2)N(C)C ZINC000706614980 712151269 /nfs/dbraw/zinc/15/12/69/712151269.db2.gz MSQHNQAZLMHSKW-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000708188039 712183661 /nfs/dbraw/zinc/18/36/61/712183661.db2.gz XFNPIURGBFOAOT-JHJVBQTASA-N 1 3 212.381 2.195 20 0 BEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000708188039 712183662 /nfs/dbraw/zinc/18/36/62/712183662.db2.gz XFNPIURGBFOAOT-JHJVBQTASA-N 1 3 212.381 2.195 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC000708208570 712184134 /nfs/dbraw/zinc/18/41/34/712184134.db2.gz YKJLQUOWKUPZSJ-REWJHTLYSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC000708208570 712184136 /nfs/dbraw/zinc/18/41/36/712184136.db2.gz YKJLQUOWKUPZSJ-REWJHTLYSA-N 1 3 224.392 2.339 20 0 BEADHO CC1(C)CO[C@H](C[N@@H+]2CCCCC[C@@H](N)C2)C1 ZINC000708337909 712189494 /nfs/dbraw/zinc/18/94/94/712189494.db2.gz QAWJTSAPKBPNFJ-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CO[C@H](C[N@H+]2CCCCC[C@@H](N)C2)C1 ZINC000708337909 712189495 /nfs/dbraw/zinc/18/94/95/712189495.db2.gz QAWJTSAPKBPNFJ-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CO[C@@H](C[N@@H+]2CCCCC[C@@H](N)C2)C1 ZINC000708337908 712189056 /nfs/dbraw/zinc/18/90/56/712189056.db2.gz QAWJTSAPKBPNFJ-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CO[C@@H](C[N@H+]2CCCCC[C@@H](N)C2)C1 ZINC000708337908 712189057 /nfs/dbraw/zinc/18/90/57/712189057.db2.gz QAWJTSAPKBPNFJ-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@@H](C[NH+]2CCC(N)CC2)C(C)(C)O1 ZINC000709685955 712215460 /nfs/dbraw/zinc/21/54/60/712215460.db2.gz LPSMNBCZUOJPMZ-NSHDSACASA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)C[C@@H](CN2CCC([NH3+])CC2)C(C)(C)O1 ZINC000709685955 712215461 /nfs/dbraw/zinc/21/54/61/712215461.db2.gz LPSMNBCZUOJPMZ-NSHDSACASA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545348 712387556 /nfs/dbraw/zinc/38/75/56/712387556.db2.gz YOWUKECNSUZYDY-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)CCS1 ZINC000379545348 712387559 /nfs/dbraw/zinc/38/75/59/712387559.db2.gz YOWUKECNSUZYDY-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)CCS1 ZINC000379545348 712387560 /nfs/dbraw/zinc/38/75/60/712387560.db2.gz YOWUKECNSUZYDY-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C(C[NH2+]C1CC1)CN1CCC2(CCC2)C1 ZINC000379545135 712387570 /nfs/dbraw/zinc/38/75/70/712387570.db2.gz YAEBGNAPOFHXCQ-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000379780124 712398818 /nfs/dbraw/zinc/39/88/18/712398818.db2.gz BVGPYLXRIIYPNG-JHJVBQTASA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCC(C)(C)O1 ZINC000714374717 712484364 /nfs/dbraw/zinc/48/43/64/712484364.db2.gz NRVRVZLBYLUQPJ-AGIUHOORSA-N 1 3 240.391 2.146 20 0 BEADHO CC1(C)CCC[C@H](CN2CCC[C@H](C[NH3+])C2)O1 ZINC000714373030 712484421 /nfs/dbraw/zinc/48/44/21/712484421.db2.gz BDIZJUPVVNTPEK-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO NC[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714851624 712501542 /nfs/dbraw/zinc/50/15/42/712501542.db2.gz QCWCBAOFHCHYHT-YUTCNCBUSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714851624 712501544 /nfs/dbraw/zinc/50/15/44/712501544.db2.gz QCWCBAOFHCHYHT-YUTCNCBUSA-N 1 3 222.376 2.093 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714851624 712501546 /nfs/dbraw/zinc/50/15/46/712501546.db2.gz QCWCBAOFHCHYHT-YUTCNCBUSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@]1(CN)CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714850953 712502000 /nfs/dbraw/zinc/50/20/00/712502000.db2.gz ZEKKKAICNKDVIN-HZSPNIEDSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714850953 712502001 /nfs/dbraw/zinc/50/20/01/712502001.db2.gz ZEKKKAICNKDVIN-HZSPNIEDSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CCCS1 ZINC000715656995 712529585 /nfs/dbraw/zinc/52/95/85/712529585.db2.gz ILGHXRHUSLGXFB-SDDRHHMPSA-N 1 3 228.405 2.002 20 0 BEADHO CC[C@H]1CN(CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000718709747 712777923 /nfs/dbraw/zinc/77/79/23/712777923.db2.gz UZEIRUQDIMJTKU-WDEREUQCSA-N 1 3 234.334 2.481 20 0 BEADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000718774414 712782371 /nfs/dbraw/zinc/78/23/71/712782371.db2.gz HUVLAJXYBAHQLK-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1CC1)CN1CCCCC1 ZINC000038041777 712801658 /nfs/dbraw/zinc/80/16/58/712801658.db2.gz RPTNWAKTFJXHQR-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)CN1CCCC1 ZINC000393727810 710670993 /nfs/dbraw/zinc/67/09/93/710670993.db2.gz APFGDIIJNQNMRP-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1nccs1 ZINC000722511598 710713346 /nfs/dbraw/zinc/71/33/46/710713346.db2.gz AMDGGJCIRNBFRE-OUAUKWLOSA-N 1 3 239.388 2.039 20 0 BEADHO C[N@H+](CCCN)C[C@@H]1CC2CCC1CC2 ZINC000382055185 710769224 /nfs/dbraw/zinc/76/92/24/710769224.db2.gz GRJXINBOFFJJAH-BPCQOVAHSA-N 1 3 210.365 2.093 20 0 BEADHO C[N@@H+](CCCN)C[C@@H]1CC2CCC1CC2 ZINC000382055185 710769226 /nfs/dbraw/zinc/76/92/26/710769226.db2.gz GRJXINBOFFJJAH-BPCQOVAHSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000385545749 711015338 /nfs/dbraw/zinc/01/53/38/711015338.db2.gz VPEIMWPIDQVPMU-UAIIHYSCSA-N 1 3 248.414 2.399 20 0 BEADHO C1[NH2+][C@H]2[C@H](N[C@H]3CC4CCC3CC4)[C@H]3C[C@H]1[C@@H]2C3 ZINC000385593120 711016732 /nfs/dbraw/zinc/01/67/32/711016732.db2.gz JCMODDPLYCWOHJ-CGURJELMSA-N 1 3 246.398 2.151 20 0 BEADHO CC(C)(CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000385592992 711016925 /nfs/dbraw/zinc/01/69/25/711016925.db2.gz IZMANBUPJVFUCD-XSXPHNMFSA-N 1 3 248.414 2.399 20 0 BEADHO CC(F)(F)CCC[NH2+][C@@H]1CCNCC1(C)C ZINC000390080285 711104119 /nfs/dbraw/zinc/10/41/19/711104119.db2.gz BFQXENSNLULCOM-SNVBAGLBSA-N 1 3 234.334 2.400 20 0 BEADHO CC(C)(C)CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392832587 711153433 /nfs/dbraw/zinc/15/34/33/711153433.db2.gz IILKKDWLCJDWNA-OBPIAQAESA-N 1 3 222.376 2.009 20 0 BEADHO CC(C)C[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392871608 711153597 /nfs/dbraw/zinc/15/35/97/711153597.db2.gz JLNYROZZTTZURR-VZKILSJISA-N 1 3 222.376 2.007 20 0 BEADHO C1[NH2+][C@H]2[C@H](NC3CCCCCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000392980158 711154785 /nfs/dbraw/zinc/15/47/85/711154785.db2.gz ZRDJTCPUMGSHSK-WPTOEGHWSA-N 1 3 234.387 2.295 20 0 BEADHO C[C@@H]1CC[N@H+](CCCC2CC2)C[C@@H]1CN ZINC000394668602 711196791 /nfs/dbraw/zinc/19/67/91/711196791.db2.gz RAZGDHCSDURKLG-YPMHNXCESA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1CN ZINC000394668602 711196794 /nfs/dbraw/zinc/19/67/94/711196794.db2.gz RAZGDHCSDURKLG-YPMHNXCESA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(C)CCCS1 ZINC000396601532 711354139 /nfs/dbraw/zinc/35/41/39/711354139.db2.gz XPNMONIIVIRJJS-TUAOUCFPSA-N 1 3 228.405 2.002 20 0 BEADHO C[C@H](CCC1CC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398175812 711404424 /nfs/dbraw/zinc/40/44/24/711404424.db2.gz VULDHNKVSKILSK-KJCZUFAUSA-N 1 3 234.387 2.151 20 0 BEADHO Cc1csc(C[NH2+][C@H]2CCCN[C@@H]2C)c1 ZINC000396645285 711363160 /nfs/dbraw/zinc/36/31/60/711363160.db2.gz BZANCNPZBDXXJZ-PWSUYJOCSA-N 1 3 224.373 2.287 20 0 BEADHO CCCC1(CN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396699215 711365142 /nfs/dbraw/zinc/36/51/42/711365142.db2.gz KNEFBDQJVKDCMM-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)(C)SCC[NH2+][C@H]1CCC[C@H]1CN ZINC000397464890 711382738 /nfs/dbraw/zinc/38/27/38/711382738.db2.gz SOXAYDYSDRGWOW-QWRGUYRKSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1CC[NH3+] ZINC000723900595 711543919 /nfs/dbraw/zinc/54/39/19/711543919.db2.gz KKRKHHRWUISTPY-RKDXNWHRSA-N 1 3 237.174 2.222 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724200688 711568932 /nfs/dbraw/zinc/56/89/32/711568932.db2.gz PVVAMQJWJUCGMC-CHWSQXEVSA-N 1 3 208.349 2.060 20 0 BEADHO CCCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396699213 711703324 /nfs/dbraw/zinc/70/33/24/711703324.db2.gz KNEFBDQJVKDCMM-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[NH+](C)CCC1CCN(C/C=C/Cl)CC1 ZINC000056524545 711825762 /nfs/dbraw/zinc/82/57/62/711825762.db2.gz GVUXSEIJBSPUNF-XVNBXDOJSA-N 1 3 230.783 2.403 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 ZINC000229077837 711837609 /nfs/dbraw/zinc/83/76/09/711837609.db2.gz GEQFMEZOYWFATQ-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1(Cl)CC1 ZINC000700807813 711852553 /nfs/dbraw/zinc/85/25/53/711852553.db2.gz DTQDNPZOADJTOQ-RYUDHWBXSA-N 1 3 244.810 2.468 20 0 BEADHO C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216511 711938084 /nfs/dbraw/zinc/93/80/84/711938084.db2.gz PYJSRPWPNRDONH-XQQFMLRXSA-N 1 3 220.360 2.049 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C[C@@H]1C ZINC000132005410 711953580 /nfs/dbraw/zinc/95/35/80/711953580.db2.gz KZPNGGIIRSSJII-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C[C@@H]1C ZINC000132005410 711953582 /nfs/dbraw/zinc/95/35/82/711953582.db2.gz KZPNGGIIRSSJII-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1cccc(C[NH2+]CC[C@@H](C)N(C)C)c1 ZINC000700606247 712001231 /nfs/dbraw/zinc/00/12/31/712001231.db2.gz WLALGECNHIPUHO-CYBMUJFWSA-N 1 3 220.360 2.425 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000700812277 712006635 /nfs/dbraw/zinc/00/66/35/712006635.db2.gz HRXWHALCXXTDFG-KGLIPLIRSA-N 1 3 238.375 2.001 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000702253969 712041942 /nfs/dbraw/zinc/04/19/42/712041942.db2.gz BGIQPIHZUGOVRB-GHMZBOCLSA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@@H+]1CC[C@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000702253969 712041943 /nfs/dbraw/zinc/04/19/43/712041943.db2.gz BGIQPIHZUGOVRB-GHMZBOCLSA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@H+]1CC[C@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000702253969 712041944 /nfs/dbraw/zinc/04/19/44/712041944.db2.gz BGIQPIHZUGOVRB-GHMZBOCLSA-N 1 3 230.783 2.078 20 0 BEADHO C[C@@H]1CCCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000705575813 712133741 /nfs/dbraw/zinc/13/37/41/712133741.db2.gz DXSJJZKYPKTLQJ-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000705575813 712133743 /nfs/dbraw/zinc/13/37/43/712133743.db2.gz DXSJJZKYPKTLQJ-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)c1ccccc1 ZINC000708079556 712180869 /nfs/dbraw/zinc/18/08/69/712180869.db2.gz GRUJHXNJCMVDAF-GZBFAFLISA-N 1 3 232.371 2.317 20 0 BEADHO C[C@@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)c1ccccc1 ZINC000708079556 712180870 /nfs/dbraw/zinc/18/08/70/712180870.db2.gz GRUJHXNJCMVDAF-GZBFAFLISA-N 1 3 232.371 2.317 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329103 712187444 /nfs/dbraw/zinc/18/74/44/712187444.db2.gz BFSIWOOYAHDVDE-YNEHKIRRSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000708329103 712187446 /nfs/dbraw/zinc/18/74/46/712187446.db2.gz BFSIWOOYAHDVDE-YNEHKIRRSA-N 1 3 240.391 2.003 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000709920525 712232611 /nfs/dbraw/zinc/23/26/11/712232611.db2.gz QDPRSMUKOPENNB-LXTVHRRPSA-N 1 3 234.387 2.108 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000709920525 712232615 /nfs/dbraw/zinc/23/26/15/712232615.db2.gz QDPRSMUKOPENNB-LXTVHRRPSA-N 1 3 234.387 2.108 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712751318 712449150 /nfs/dbraw/zinc/44/91/50/712449150.db2.gz RYJIZSMDSREMEA-MQYQWHSLSA-N 1 3 222.376 2.140 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712751325 712449350 /nfs/dbraw/zinc/44/93/50/712449350.db2.gz RYJIZSMDSREMEA-ZOBORPQBSA-N 1 3 222.376 2.140 20 0 BEADHO CN(C[C@@H]1CCC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000713597434 712465940 /nfs/dbraw/zinc/46/59/40/712465940.db2.gz UYDNCCUKSJZJHD-LBPRGKRZSA-N 1 3 242.407 2.108 20 0 BEADHO C=C/C=C\CC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000713735220 712470483 /nfs/dbraw/zinc/47/04/83/712470483.db2.gz NIMNBNQVYKRJBF-AIMRDXAKSA-N 1 3 208.349 2.035 20 0 BEADHO C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000713735220 712470484 /nfs/dbraw/zinc/47/04/84/712470484.db2.gz NIMNBNQVYKRJBF-AIMRDXAKSA-N 1 3 208.349 2.035 20 0 BEADHO C=C/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000713738591 712470817 /nfs/dbraw/zinc/47/08/17/712470817.db2.gz FUUFJUFUTBMFJF-NVFZZLLCSA-N 1 3 220.360 2.180 20 0 BEADHO C=C/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000713738591 712470818 /nfs/dbraw/zinc/47/08/18/712470818.db2.gz FUUFJUFUTBMFJF-NVFZZLLCSA-N 1 3 220.360 2.180 20 0 BEADHO C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1CN ZINC000714847536 712501582 /nfs/dbraw/zinc/50/15/82/712501582.db2.gz CSIHCHRKEMKQOI-RZFFKMDDSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@@H]1CN ZINC000714847536 712501583 /nfs/dbraw/zinc/50/15/83/712501583.db2.gz CSIHCHRKEMKQOI-RZFFKMDDSA-N 1 3 236.403 2.339 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000388720992 712501627 /nfs/dbraw/zinc/50/16/27/712501627.db2.gz SKFSSVMVISYWEO-MRKIUDBFSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1CN ZINC000714847524 712501840 /nfs/dbraw/zinc/50/18/40/712501840.db2.gz CSIHCHRKEMKQOI-NGFQHRJXSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C[C@H]1CN ZINC000714847524 712501842 /nfs/dbraw/zinc/50/18/42/712501842.db2.gz CSIHCHRKEMKQOI-NGFQHRJXSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@@H](NC1CCC=CCC1)[C@H]1CCC[NH2+]1 ZINC000718020717 712736444 /nfs/dbraw/zinc/73/64/44/712736444.db2.gz VVZIAKPUBUUPTQ-DGCLKSJQSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@H]1CCN(CCCC(C)(F)F)C[C@@H]1C[NH3+] ZINC000718570267 712774748 /nfs/dbraw/zinc/77/47/48/712774748.db2.gz JJFKHMLOJIXFSL-QWRGUYRKSA-N 1 3 234.334 2.339 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CC1)CN1CCCCC1 ZINC000038041775 712801114 /nfs/dbraw/zinc/80/11/14/712801114.db2.gz RPTNWAKTFJXHQR-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC(F)(F)C1 ZINC000720912886 712877854 /nfs/dbraw/zinc/87/78/54/712877854.db2.gz QYRPJRNIKFHNFM-VHSXEESVSA-N 1 3 232.318 2.139 20 0 BEADHO C[NH+](C)[C@@H]1CCCN(c2cc3[nH]ccc3cn2)C1 ZINC001165034496 721887016 /nfs/dbraw/zinc/88/70/16/721887016.db2.gz GOMWHMRSWFCTMA-GFCCVEGCSA-N 1 3 244.342 2.093 20 0 BEADHO CC[C@H]1CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000309517383 959899098 /nfs/dbraw/zinc/89/90/98/959899098.db2.gz ZAMQIZUWKCYYKI-NWDGAFQWSA-N 1 3 210.365 2.378 20 0 BEADHO Cc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000708864160 959985517 /nfs/dbraw/zinc/98/55/17/959985517.db2.gz XGBZLTOOERYNPF-BXKDBHETSA-N 1 3 224.373 2.083 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCOC1CCCC1 ZINC000925530891 960286659 /nfs/dbraw/zinc/28/66/59/960286659.db2.gz HHOSLVKKSNCKSQ-GXTWGEPZSA-N 1 3 240.391 2.066 20 0 BEADHO [NH3+]CCCCN1CCC[C@H]1c1nccs1 ZINC000710598913 962417453 /nfs/dbraw/zinc/41/74/53/962417453.db2.gz WRIGTVYBDQEDRM-JTQLQIEISA-N 1 3 225.361 2.019 20 0 BEADHO C1=C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000698277945 965164759 /nfs/dbraw/zinc/16/47/59/965164759.db2.gz MSEXMNOJWLCOEG-RFQIPJPRSA-N 1 3 220.360 2.215 20 0 BEADHO COC1(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCC1 ZINC000715202147 965948793 /nfs/dbraw/zinc/94/87/93/965948793.db2.gz NKDDMZPTKKPWIG-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000070733424 1165845342 /nfs/dbraw/zinc/84/53/42/1165845342.db2.gz HXQWISHEQFXPIS-AXFHLTTASA-N 1 3 239.388 2.311 20 0 BEADHO NC[C@H]1CCCC[N@H+](CC2CCSCC2)C1 ZINC001206606281 968416049 /nfs/dbraw/zinc/41/60/49/968416049.db2.gz JBNDKNLDEDDHQM-CYBMUJFWSA-N 1 3 242.432 2.190 20 0 BEADHO NC[C@H]1CCCC[N@@H+](CC2CCSCC2)C1 ZINC001206606281 968416057 /nfs/dbraw/zinc/41/60/57/968416057.db2.gz JBNDKNLDEDDHQM-CYBMUJFWSA-N 1 3 242.432 2.190 20 0 BEADHO NC[C@@H]1CCCC[N@H+](CC2CCSCC2)C1 ZINC001206606282 968417103 /nfs/dbraw/zinc/41/71/03/968417103.db2.gz JBNDKNLDEDDHQM-ZDUSSCGKSA-N 1 3 242.432 2.190 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](CC2CCSCC2)C1 ZINC001206606282 968417110 /nfs/dbraw/zinc/41/71/10/968417110.db2.gz JBNDKNLDEDDHQM-ZDUSSCGKSA-N 1 3 242.432 2.190 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000389914039 1166051284 /nfs/dbraw/zinc/05/12/84/1166051284.db2.gz LTZJUFCOZNCNAV-RWMBFGLXSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1CCN(CC2(C)CC[NH+](C)CC2)C[C@H]1F ZINC001208108080 969001946 /nfs/dbraw/zinc/00/19/46/969001946.db2.gz POLDPFHMMVLWNF-CHWSQXEVSA-N 1 3 242.382 2.398 20 0 BEADHO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404930 969159852 /nfs/dbraw/zinc/15/98/52/969159852.db2.gz KEBGYXXMWIKAPH-XQQFMLRXSA-N 1 3 244.423 2.150 20 0 BEADHO CC[C@H](C)C[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404930 969159854 /nfs/dbraw/zinc/15/98/54/969159854.db2.gz KEBGYXXMWIKAPH-XQQFMLRXSA-N 1 3 244.423 2.150 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1CCC[C@@H](OC)C1 ZINC000226539033 1166288442 /nfs/dbraw/zinc/28/84/42/1166288442.db2.gz QBEYDSJLKQOUCJ-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1CCC[C@@H](OC)C1 ZINC000226539033 1166288448 /nfs/dbraw/zinc/28/84/48/1166288448.db2.gz QBEYDSJLKQOUCJ-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO CC[C@H](C)C[C@H](CC)[N@H+](C)CCCN ZINC000227744772 1166308558 /nfs/dbraw/zinc/30/85/58/1166308558.db2.gz NYICZAMSKZTNLI-RYUDHWBXSA-N 1 3 200.370 2.482 20 0 BEADHO CC[C@H](C)C[C@H](CC)[N@@H+](C)CCCN ZINC000227744772 1166308566 /nfs/dbraw/zinc/30/85/66/1166308566.db2.gz NYICZAMSKZTNLI-RYUDHWBXSA-N 1 3 200.370 2.482 20 0 BEADHO C([C@H]1CCCCN1)[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228015312 1166381147 /nfs/dbraw/zinc/38/11/47/1166381147.db2.gz CYKPDYNGQBVWRG-BFHYXJOUSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@H]1CCCCN1)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228015312 1166381154 /nfs/dbraw/zinc/38/11/54/1166381154.db2.gz CYKPDYNGQBVWRG-BFHYXJOUSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H](CC(F)(F)F)NC[C@@H]1CCC[N@H+](C)C1 ZINC000158258528 1166514306 /nfs/dbraw/zinc/51/43/06/1166514306.db2.gz HVPWLNGGQRNKPX-UWVGGRQHSA-N 1 3 238.297 2.259 20 0 BEADHO C[C@@H](CC(F)(F)F)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000158258528 1166514311 /nfs/dbraw/zinc/51/43/11/1166514311.db2.gz HVPWLNGGQRNKPX-UWVGGRQHSA-N 1 3 238.297 2.259 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CCCC(F)(F)F)CCN1 ZINC000709318299 1166690855 /nfs/dbraw/zinc/69/08/55/1166690855.db2.gz HKOODRKZLQFAAN-IUCAKERBSA-N 1 3 224.270 2.059 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC001255941599 970572332 /nfs/dbraw/zinc/57/23/32/970572332.db2.gz UQMAQIOLWDIDAG-KGLIPLIRSA-N 1 3 244.423 2.367 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](COC)C(C)C ZINC001255941599 970572339 /nfs/dbraw/zinc/57/23/39/970572339.db2.gz UQMAQIOLWDIDAG-KGLIPLIRSA-N 1 3 244.423 2.367 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)OC ZINC001255943677 970574839 /nfs/dbraw/zinc/57/48/39/970574839.db2.gz PTBSNJMEQZYROF-LBPRGKRZSA-N 1 3 230.396 2.121 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)OC ZINC001255943677 970574853 /nfs/dbraw/zinc/57/48/53/970574853.db2.gz PTBSNJMEQZYROF-LBPRGKRZSA-N 1 3 230.396 2.121 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001255954370 970579287 /nfs/dbraw/zinc/57/92/87/970579287.db2.gz VOZQLFCSAXSRIX-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1(CC)COC1 ZINC001255944917 970579322 /nfs/dbraw/zinc/57/93/22/970579322.db2.gz HWHCZIXORWQYLD-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCCC(C)(C)O ZINC001255948164 970582731 /nfs/dbraw/zinc/58/27/31/970582731.db2.gz GKHDVDIIFZPEBB-ZDUSSCGKSA-N 1 3 244.423 2.248 20 0 BEADHO CCCC[C@@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255946614 970583440 /nfs/dbraw/zinc/58/34/40/970583440.db2.gz XDPBKEYENHUSBF-KBPBESRZSA-N 1 3 244.423 2.248 20 0 BEADHO CCCC[C@@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255946614 970583455 /nfs/dbraw/zinc/58/34/55/970583455.db2.gz XDPBKEYENHUSBF-KBPBESRZSA-N 1 3 244.423 2.248 20 0 BEADHO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000925784864 1166833017 /nfs/dbraw/zinc/83/30/17/1166833017.db2.gz OIDHSXDPFVAVLJ-ZOBORPQBSA-N 1 3 224.392 2.399 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC001255955346 970588125 /nfs/dbraw/zinc/58/81/25/970588125.db2.gz RFQMRUAWWQVZQV-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@@]1(C)CCCOC1 ZINC001255955346 970588135 /nfs/dbraw/zinc/58/81/35/970588135.db2.gz RFQMRUAWWQVZQV-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](CC)CCOC ZINC001255955973 970594466 /nfs/dbraw/zinc/59/44/66/970594466.db2.gz YIUSGXCKHVTLLN-CYBMUJFWSA-N 1 3 230.396 2.075 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](CC)CCOC ZINC001255955973 970594470 /nfs/dbraw/zinc/59/44/70/970594470.db2.gz YIUSGXCKHVTLLN-CYBMUJFWSA-N 1 3 230.396 2.075 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C1 ZINC001167949400 1167005680 /nfs/dbraw/zinc/00/56/80/1167005680.db2.gz WWQTWCMGXFKSCW-KHMAMNHCSA-N 1 3 234.387 2.059 20 0 BEADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000227114924 1167158931 /nfs/dbraw/zinc/15/89/31/1167158931.db2.gz HXQWISHEQFXPIS-GARJFASQSA-N 1 3 239.388 2.311 20 0 BEADHO CCC[N@H+](CC(C)C)[C@@H]1CCN[C@H](C)C1 ZINC000308804533 1167199981 /nfs/dbraw/zinc/19/99/81/1167199981.db2.gz AGLFTHMQEWJUPQ-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[N@@H+](CC(C)C)[C@@H]1CCN[C@H](C)C1 ZINC000308804533 1167199988 /nfs/dbraw/zinc/19/99/88/1167199988.db2.gz AGLFTHMQEWJUPQ-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H](CN)C2)C1 ZINC000308800137 1167200928 /nfs/dbraw/zinc/20/09/28/1167200928.db2.gz DJVGPPMTVMUBFL-FRRDWIJNSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](CN)C2)C1 ZINC000308800137 1167200932 /nfs/dbraw/zinc/20/09/32/1167200932.db2.gz DJVGPPMTVMUBFL-FRRDWIJNSA-N 1 3 210.365 2.236 20 0 BEADHO CCC[N@H+](CC(C)C)[C@@H]1CCN[C@@H](C)C1 ZINC000308804536 1167200960 /nfs/dbraw/zinc/20/09/60/1167200960.db2.gz AGLFTHMQEWJUPQ-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[N@@H+](CC(C)C)[C@@H]1CCN[C@@H](C)C1 ZINC000308804536 1167200967 /nfs/dbraw/zinc/20/09/67/1167200967.db2.gz AGLFTHMQEWJUPQ-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1CNCC[N@H+](CCCC2CCCC2)C1 ZINC000225275568 1167362474 /nfs/dbraw/zinc/36/24/74/1167362474.db2.gz CNAVHSFXFPDESM-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CNCC[N@@H+](CCCC2CCCC2)C1 ZINC000225275568 1167362477 /nfs/dbraw/zinc/36/24/77/1167362477.db2.gz CNAVHSFXFPDESM-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C[C@H]1C ZINC000310397862 1167682240 /nfs/dbraw/zinc/68/22/40/1167682240.db2.gz MIFPGUTWJHAJDJ-QMIVOQANSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C[C@H]1C ZINC000310397862 1167682243 /nfs/dbraw/zinc/68/22/43/1167682243.db2.gz MIFPGUTWJHAJDJ-QMIVOQANSA-N 1 3 236.403 2.352 20 0 BEADHO CCC[C@@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000708896438 1168380745 /nfs/dbraw/zinc/38/07/45/1168380745.db2.gz DEZOFMWXTJWKSM-CQSZACIVSA-N 1 3 242.407 2.397 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)C1CCCC1 ZINC001308983264 1169055582 /nfs/dbraw/zinc/05/55/82/1169055582.db2.gz BVPJGNMQJYRLQU-SPWCGHHHSA-N 1 3 236.403 2.495 20 0 BEADHO CCOCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001172414681 974683148 /nfs/dbraw/zinc/68/31/48/974683148.db2.gz GWOITIFXJWGAKA-MJBXVCDLSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666659 973078157 /nfs/dbraw/zinc/07/81/57/973078157.db2.gz WVMYHYMFPFBHBB-XHJNMGKDSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666659 973078170 /nfs/dbraw/zinc/07/81/70/973078170.db2.gz WVMYHYMFPFBHBB-XHJNMGKDSA-N 1 3 224.392 2.336 20 0 BEADHO Cc1cc2[nH]ccc2c(N2CCC[C@H]([NH3+])[C@H]2C)n1 ZINC001157740994 970767168 /nfs/dbraw/zinc/76/71/68/970767168.db2.gz JDQYQBNFJDWLDV-PWSUYJOCSA-N 1 3 244.342 2.187 20 0 BEADHO C[NH2+][C@H](C)CCN[C@H](C)Cc1ccsc1 ZINC001329023476 973431735 /nfs/dbraw/zinc/43/17/35/973431735.db2.gz IMFQIFJRIYCTRR-GHMZBOCLSA-N 1 3 226.389 2.267 20 0 BEADHO CCOCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256558130 970861634 /nfs/dbraw/zinc/86/16/34/970861634.db2.gz QTMFTEFPPBSSCU-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO [NH3+]C[C@H]1CN(CC2CCCCC2)CCC1(F)F ZINC000403216031 970896931 /nfs/dbraw/zinc/89/69/31/970896931.db2.gz GOKPBAVOFQTDOU-LBPRGKRZSA-N 1 3 246.345 2.483 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccncc1 ZINC001256719861 970940673 /nfs/dbraw/zinc/94/06/73/970940673.db2.gz VIIMTBIPIVKBEI-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccncc1 ZINC001256719861 970940679 /nfs/dbraw/zinc/94/06/79/970940679.db2.gz VIIMTBIPIVKBEI-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCCN(CCC[NH3+])[C@@H](C)Cc1ccncc1 ZINC001256719861 970940686 /nfs/dbraw/zinc/94/06/86/970940686.db2.gz VIIMTBIPIVKBEI-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO C[C@@H](Cc1ccncc1)[NH2+]CC[C@H]1CCCN1C ZINC001256722946 970945672 /nfs/dbraw/zinc/94/56/72/970945672.db2.gz LZGOOLKVGVOWEH-DZGCQCFKSA-N 1 3 247.386 2.087 20 0 BEADHO CC[C@@H]1CN(CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000403915625 971089306 /nfs/dbraw/zinc/08/93/06/971089306.db2.gz OPDNKBAPYNHXIM-UONOGXRCSA-N 1 3 242.407 2.395 20 0 BEADHO CCC[N@H+](CCCN)C1C[C@H](C)O[C@@H](C)C1 ZINC001257073718 971089215 /nfs/dbraw/zinc/08/92/15/971089215.db2.gz TWRIWVWHUAPISW-RYUDHWBXSA-N 1 3 228.380 2.003 20 0 BEADHO CCC[N@@H+](CCCN)C1C[C@H](C)O[C@@H](C)C1 ZINC001257073718 971089224 /nfs/dbraw/zinc/08/92/24/971089224.db2.gz TWRIWVWHUAPISW-RYUDHWBXSA-N 1 3 228.380 2.003 20 0 BEADHO CCCC(CCC)[N@H+](C)C[C@@H](C)CN ZINC001257334080 971181621 /nfs/dbraw/zinc/18/16/21/971181621.db2.gz ZWQMHXMJTNFLLC-NSHDSACASA-N 1 3 200.370 2.482 20 0 BEADHO CCCC(CCC)[N@@H+](C)C[C@@H](C)CN ZINC001257334080 971181623 /nfs/dbraw/zinc/18/16/23/971181623.db2.gz ZWQMHXMJTNFLLC-NSHDSACASA-N 1 3 200.370 2.482 20 0 BEADHO [NH3+][C@H]1CCN(CCc2cccs2)CC[C@@H]1F ZINC001206154516 974330564 /nfs/dbraw/zinc/33/05/64/974330564.db2.gz JPGQJNMZAQPBJK-RYUDHWBXSA-N 1 3 242.363 2.052 20 0 BEADHO CN1CC2(C1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170764049 971747355 /nfs/dbraw/zinc/74/73/55/971747355.db2.gz GEPVVFNNXJKHQQ-ZSOGYDGISA-N 1 3 248.414 2.449 20 0 BEADHO C([C@H]1CCCCN1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000309934655 971883500 /nfs/dbraw/zinc/88/35/00/971883500.db2.gz XTTMNZHMWXCYGW-MELADBBJSA-N 1 3 222.376 2.251 20 0 BEADHO [NH3+]C[C@@H]1CCCCN(CCOc2ccccc2)C1 ZINC000311211274 971995564 /nfs/dbraw/zinc/99/55/64/971995564.db2.gz LCQULTGPAAWBEZ-AWEZNQCLSA-N 1 3 248.370 2.126 20 0 BEADHO CC(C)c1ccccc1N[C@@H](N)CCC[NH3+] ZINC001170898027 972056045 /nfs/dbraw/zinc/05/60/45/972056045.db2.gz BCAFCAOHXCMTRB-CYBMUJFWSA-N 1 3 221.348 2.246 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+]C2CCNCC2)cc1 ZINC001246077810 972130849 /nfs/dbraw/zinc/13/08/49/972130849.db2.gz KQVPDZXEQIUERG-ZDUSSCGKSA-N 1 3 232.371 2.268 20 0 BEADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246080235 972134302 /nfs/dbraw/zinc/13/43/02/972134302.db2.gz QMDWFDZSOAETEP-HNNXBMFYSA-N 1 3 248.345 2.025 20 0 BEADHO CC1(C)[C@@H]2C[C@@H](N[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001246089282 972143655 /nfs/dbraw/zinc/14/36/55/972143655.db2.gz BXGYQIFFZOUUMM-LPWJVIDDSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](CN[C@H]2C[C@@H]3[C@H](C2)C3(C)C)[NH2+]C1 ZINC001246102755 972167288 /nfs/dbraw/zinc/16/72/88/972167288.db2.gz FIBOXGMJDLBSFE-XHJNMGKDSA-N 1 3 236.403 2.399 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CNC[C@@H]1C ZINC001246113522 972177255 /nfs/dbraw/zinc/17/72/55/972177255.db2.gz BZPHTLXVGIGPLH-WUHRBBMRSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H]1CC[C@H](CNC2CCCCC2)[NH2+]C1 ZINC001246115090 972178187 /nfs/dbraw/zinc/17/81/87/972178187.db2.gz QUABTAXVDRDLMV-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CNC[C@H]1[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246116498 972180444 /nfs/dbraw/zinc/18/04/44/972180444.db2.gz MRTLBRBZQWCLME-YVECIDJPSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H]1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC001246118179 972182490 /nfs/dbraw/zinc/18/24/90/972182490.db2.gz XBIAOOOTDQHINY-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC001246118178 972184029 /nfs/dbraw/zinc/18/40/29/972184029.db2.gz XBIAOOOTDQHINY-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246132249 972191431 /nfs/dbraw/zinc/19/14/31/972191431.db2.gz LHMWNPXTVVXLHO-OLZOCXBDSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CC(C)(C)C1 ZINC001246190707 972212974 /nfs/dbraw/zinc/21/29/74/972212974.db2.gz RRESNSRJXWDVKA-FIQHERPVSA-N 1 3 210.365 2.281 20 0 BEADHO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCNC1CC1 ZINC000692939552 956881998 /nfs/dbraw/zinc/88/19/98/956881998.db2.gz IKIBMXKFETUPPF-QXMXGUDHSA-N 1 3 222.376 2.391 20 0 BEADHO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCNC1CC1 ZINC000692939552 956881997 /nfs/dbraw/zinc/88/19/97/956881997.db2.gz IKIBMXKFETUPPF-QXMXGUDHSA-N 1 3 222.376 2.391 20 0 BEADHO CN1CCC[C@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC001208605996 957092979 /nfs/dbraw/zinc/09/29/79/957092979.db2.gz CVIXUUSBXIUBTH-ZDUSSCGKSA-N 1 3 222.376 2.204 20 0 BEADHO CN1CC=C(Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC001208836725 957175510 /nfs/dbraw/zinc/17/55/10/957175510.db2.gz AFSUPJRNITXMTR-UHFFFAOYSA-N 1 3 245.370 2.380 20 0 BEADHO C[C@H]1CC[C@H]([NH2+]Cc2c[nH]c3ccccc23)CN1 ZINC001246248523 972248939 /nfs/dbraw/zinc/24/89/39/972248939.db2.gz YNOYVXDSTGRKTR-AAEUAGOBSA-N 1 3 243.354 2.398 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1Cc2cccc(Cl)c2C1 ZINC001246307361 972269649 /nfs/dbraw/zinc/26/96/49/972269649.db2.gz XCDPETCFYIUASD-ONGXEEELSA-N 1 3 238.762 2.134 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1CCc2c(F)cccc2C1 ZINC001246311422 972272234 /nfs/dbraw/zinc/27/22/34/972272234.db2.gz CLTFSTUHWMKUOE-RYUDHWBXSA-N 1 3 236.334 2.010 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2cc(F)ccc2C1 ZINC001246313816 972274708 /nfs/dbraw/zinc/27/47/08/972274708.db2.gz LNXWBDBAUSOIIT-ZIAGYGMSSA-N 1 3 236.334 2.010 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC23CNC3)cc1 ZINC001246445171 972312082 /nfs/dbraw/zinc/31/20/82/972312082.db2.gz NEPOVSUAVOJIFP-UKRRQHHQSA-N 1 3 244.382 2.268 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C)cc3C2)C1 ZINC001246493517 972354126 /nfs/dbraw/zinc/35/41/26/972354126.db2.gz BYRFDXKJAYGSAP-HRCADAONSA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@@H](N[C@H]2CCc3ccc(C)cc3C2)C1 ZINC001246493517 972354132 /nfs/dbraw/zinc/35/41/32/972354132.db2.gz BYRFDXKJAYGSAP-HRCADAONSA-N 1 3 244.382 2.192 20 0 BEADHO C[C@@H]1CC[C@@H](NCCCC(F)(F)F)C[NH2+]1 ZINC000399221966 958566026 /nfs/dbraw/zinc/56/60/26/958566026.db2.gz CHOSZYXWAYYMHZ-RKDXNWHRSA-N 1 3 224.270 2.059 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000693598761 958930715 /nfs/dbraw/zinc/93/07/15/958930715.db2.gz JVLWXUKLZIHFEL-CRWXNKLISA-N 1 3 222.376 2.284 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000693598765 958931288 /nfs/dbraw/zinc/93/12/88/958931288.db2.gz JVLWXUKLZIHFEL-XDQVBPFNSA-N 1 3 222.376 2.284 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@](C)(N)C1)c1ccccc1 ZINC000405734534 959499270 /nfs/dbraw/zinc/49/92/70/959499270.db2.gz ACHMGDPWSKJXAF-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H](C[N@H+]1CC[C@](C)(N)C1)c1ccccc1 ZINC000405734534 959499278 /nfs/dbraw/zinc/49/92/78/959499278.db2.gz ACHMGDPWSKJXAF-OCCSQVGLSA-N 1 3 218.344 2.213 20 0 BEADHO CC(C)(CC[N@@H+]1CCC[C@@H](CN)C1)C1CC1 ZINC000406084224 959573522 /nfs/dbraw/zinc/57/35/22/959573522.db2.gz YXGIHURWKCSKJD-LBPRGKRZSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)(CC[N@H+]1CCC[C@@H](CN)C1)C1CC1 ZINC000406084224 959573538 /nfs/dbraw/zinc/57/35/38/959573538.db2.gz YXGIHURWKCSKJD-LBPRGKRZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[N@@H+](C2CCC(C)CC2)C[C@H]1CN ZINC000708830770 959860330 /nfs/dbraw/zinc/86/03/30/959860330.db2.gz PDHAMIXOBSSTDT-CMOBGSAGSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+](C2CCC(C)CC2)C[C@H]1CN ZINC000708830770 959860331 /nfs/dbraw/zinc/86/03/31/959860331.db2.gz PDHAMIXOBSSTDT-CMOBGSAGSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675184 960347300 /nfs/dbraw/zinc/34/73/00/960347300.db2.gz RZULGRPPQJXESS-GMTAPVOTSA-N 1 3 230.783 2.219 20 0 BEADHO C[C@@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675184 960347287 /nfs/dbraw/zinc/34/72/87/960347287.db2.gz RZULGRPPQJXESS-GMTAPVOTSA-N 1 3 230.783 2.219 20 0 BEADHO C[C@H](N[C@H]1CCCC2(CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000695725395 960404444 /nfs/dbraw/zinc/40/44/44/960404444.db2.gz WWEKUBFVAFTXGF-AVGNSLFASA-N 1 3 222.376 2.439 20 0 BEADHO C1CC12CCC(N[C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)CC2 ZINC000695766824 960444882 /nfs/dbraw/zinc/44/48/82/960444882.db2.gz CWWZODHHJOFCCG-XSXPHNMFSA-N 1 3 246.398 2.295 20 0 BEADHO CC1(C)CC[C@@H](CNC2CCCC2)[NH2+]C1 ZINC000686973432 960904115 /nfs/dbraw/zinc/90/41/15/960904115.db2.gz ALIYYOHUNCMMIV-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO Cl/C=C\CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692915153 961321862 /nfs/dbraw/zinc/32/18/62/961321862.db2.gz LSKNFKZVXNRRAH-IUAZIXFQSA-N 1 3 242.794 2.451 20 0 BEADHO C[C@H]1C[C@H](N2CC3(C2)CCC[NH2+]C3)C[C@@H](C)C1 ZINC000709984813 962210134 /nfs/dbraw/zinc/21/01/34/962210134.db2.gz UHYFDLJYFUMNGF-WDNDVIMCSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]1C[C@H]([NH+]2CC3(C2)CCCNC3)C[C@@H](C)C1 ZINC000709984813 962210166 /nfs/dbraw/zinc/21/01/66/962210166.db2.gz UHYFDLJYFUMNGF-WDNDVIMCSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@]1([NH3+])CCN(C2CCC3(CC3)CC2)C1 ZINC000710149198 962334855 /nfs/dbraw/zinc/33/48/55/962334855.db2.gz IUMGUHNRHCBXIM-GFCCVEGCSA-N 1 3 208.349 2.132 20 0 BEADHO Cc1nc(N2CCC[C@H]([NH3+])[C@H]2C)cc2[nH]ccc21 ZINC001157746118 963715769 /nfs/dbraw/zinc/71/57/69/963715769.db2.gz PYFJFWAXSOWCOT-PWSUYJOCSA-N 1 3 244.342 2.187 20 0 BEADHO Cc1nc(N2CCC[C@@H]([NH3+])[C@H]2C)cc2[nH]ccc21 ZINC001157746121 963716917 /nfs/dbraw/zinc/71/69/17/963716917.db2.gz PYFJFWAXSOWCOT-ZYHUDNBSSA-N 1 3 244.342 2.187 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCc2ccccc2C1)N(C)C ZINC000697858924 964575374 /nfs/dbraw/zinc/57/53/74/964575374.db2.gz PENDIEZLDOQNAH-XJKSGUPXSA-N 1 3 246.398 2.474 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCC(C)(C)C1)N(C)C ZINC000697879259 964604003 /nfs/dbraw/zinc/60/40/03/964604003.db2.gz NEGORBXNZKGEKB-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1nc2ccc(N[C@@H](C)C[NH+](C)C)cc2[nH]1 ZINC001163776748 965583628 /nfs/dbraw/zinc/58/36/28/965583628.db2.gz JRADZDFQIMFAOG-VIFPVBQESA-N 1 3 232.331 2.233 20 0 BEADHO C/C(=C\C=C\N)NCc1cccc(C[NH+](C)C)c1 ZINC001163994117 965681843 /nfs/dbraw/zinc/68/18/43/965681843.db2.gz DSMDRXOFKXNWKK-PMHYKQBESA-N 1 3 245.370 2.214 20 0 BEADHO Cc1ccsc1CN1CCC[C@H]([NH3+])CC1 ZINC001205094778 965731480 /nfs/dbraw/zinc/73/14/80/965731480.db2.gz PFXPRLYEYWGNRK-NSHDSACASA-N 1 3 224.373 2.370 20 0 BEADHO N[C@@H]1CCC[N@H+](CC2Cc3ccccc3C2)CC1 ZINC001205095529 965757456 /nfs/dbraw/zinc/75/74/56/965757456.db2.gz YKTWABWPSPPGJD-MRXNPFEDSA-N 1 3 244.382 2.215 20 0 BEADHO N[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)CC1 ZINC001205095529 965757468 /nfs/dbraw/zinc/75/74/68/965757468.db2.gz YKTWABWPSPPGJD-MRXNPFEDSA-N 1 3 244.382 2.215 20 0 BEADHO Cc1ccc([C@H](C)CC[N@H+](C)C[C@H](C)N)o1 ZINC001236885974 966611733 /nfs/dbraw/zinc/61/17/33/966611733.db2.gz YQAJHPZGWCGAMF-MNOVXSKESA-N 1 3 224.348 2.361 20 0 BEADHO Cc1ccc([C@H](C)CC[N@@H+](C)C[C@H](C)N)o1 ZINC001236885974 966611726 /nfs/dbraw/zinc/61/17/26/966611726.db2.gz YQAJHPZGWCGAMF-MNOVXSKESA-N 1 3 224.348 2.361 20 0 BEADHO CCN1C[C@@H]2C[NH+](Cc3cccc(C)c3)C[C@H]2C1 ZINC001203893542 966812702 /nfs/dbraw/zinc/81/27/02/966812702.db2.gz KKIBSMRFIBVLPR-HZPDHXFCSA-N 1 3 244.382 2.379 20 0 BEADHO CCc1ccc(CN2CCC3(C[NH+](C)C3)CC2)o1 ZINC001204394303 966991940 /nfs/dbraw/zinc/99/19/40/966991940.db2.gz AOPZRVYZVWBJAS-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO CCc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)o1 ZINC001204394303 966991945 /nfs/dbraw/zinc/99/19/45/966991945.db2.gz AOPZRVYZVWBJAS-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO C[NH+](C)Cc1ccc(-c2cccc(CN)n2)cc1 ZINC001204612966 967105382 /nfs/dbraw/zinc/10/53/82/967105382.db2.gz AKZJZBJWWZCJFM-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO Cc1nc(-c2cncc(C[NH3+])c2)cc2[nH]ccc21 ZINC001239791204 967186374 /nfs/dbraw/zinc/18/63/74/967186374.db2.gz BKDNGWJFGSSWHB-UHFFFAOYSA-N 1 3 238.294 2.392 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCO1 ZINC000715583354 967194407 /nfs/dbraw/zinc/19/44/07/967194407.db2.gz JWTVQZNMMYOURA-AAVRWANBSA-N 1 3 240.391 2.016 20 0 BEADHO COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)cc1C ZINC001205064861 967322127 /nfs/dbraw/zinc/32/21/27/967322127.db2.gz YNEGRANNACHLFD-JSGCOSHPSA-N 1 3 248.370 2.315 20 0 BEADHO COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)cc1C ZINC001205064861 967322137 /nfs/dbraw/zinc/32/21/37/967322137.db2.gz YNEGRANNACHLFD-JSGCOSHPSA-N 1 3 248.370 2.315 20 0 BEADHO COC1CCC(C[N@@H+]2CCC[C@@H](N)CC2)CC1 ZINC001205094593 967342156 /nfs/dbraw/zinc/34/21/56/967342156.db2.gz NDSOXTXOJHCDRO-ROKHWSDSSA-N 1 3 240.391 2.005 20 0 BEADHO COC1CCC(C[N@H+]2CCC[C@@H](N)CC2)CC1 ZINC001205094593 967342168 /nfs/dbraw/zinc/34/21/68/967342168.db2.gz NDSOXTXOJHCDRO-ROKHWSDSSA-N 1 3 240.391 2.005 20 0 BEADHO CNc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205315396 967526608 /nfs/dbraw/zinc/52/66/08/967526608.db2.gz FXWHCPLFYRNEKU-OCCSQVGLSA-N 1 3 247.386 2.145 20 0 BEADHO CCc1ccccc1C[N@@H+]1CCNCC[C@@H]1C ZINC001205324408 967543599 /nfs/dbraw/zinc/54/35/99/967543599.db2.gz AUXXCVVUVOMHPW-ZDUSSCGKSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1ccccc1C[N@H+]1CCNCC[C@@H]1C ZINC001205324408 967543616 /nfs/dbraw/zinc/54/36/16/967543616.db2.gz AUXXCVVUVOMHPW-ZDUSSCGKSA-N 1 3 232.371 2.433 20 0 BEADHO C[C@@H]1CCNCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001205340611 967554414 /nfs/dbraw/zinc/55/44/14/967554414.db2.gz XKGVCHODMOKBQV-CYBMUJFWSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@@H]1CCNCC[N@H+]1Cc1cccc2c1CCC2 ZINC001205340611 967554428 /nfs/dbraw/zinc/55/44/28/967554428.db2.gz XKGVCHODMOKBQV-CYBMUJFWSA-N 1 3 244.382 2.359 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cs1 ZINC001206214216 968145690 /nfs/dbraw/zinc/14/56/90/968145690.db2.gz XWTCNWDLLMULDH-NEPJUHHUSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cs1 ZINC001206214216 968145696 /nfs/dbraw/zinc/14/56/96/968145696.db2.gz XWTCNWDLLMULDH-NEPJUHHUSA-N 1 3 242.363 2.318 20 0 BEADHO CN(C)Cc1ccccc1Nc1cc[nH+]c(N)c1 ZINC001206561513 968382720 /nfs/dbraw/zinc/38/27/20/968382720.db2.gz JDJLIBZOTULXOS-UHFFFAOYSA-N 1 3 242.326 2.469 20 0 BEADHO Cc1ccnc(CN(C)CC2CC[NH+](C)CC2)c1 ZINC001206855388 968502157 /nfs/dbraw/zinc/50/21/57/968502157.db2.gz VZEPOSZTBIAUOJ-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[NH+]1CCC(CN2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001207395041 968750466 /nfs/dbraw/zinc/75/04/66/968750466.db2.gz OJXSXWNQMFYGCH-OLZOCXBDSA-N 1 3 246.345 2.100 20 0 BEADHO CS[C@@H](C)CCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208156704 969086014 /nfs/dbraw/zinc/08/60/14/969086014.db2.gz YBFWXPVZJIXRLM-YNEHKIRRSA-N 1 3 242.432 2.012 20 0 BEADHO CC[NH+]1CCC(CN2CCc3occc3C2)CC1 ZINC001208601225 969156063 /nfs/dbraw/zinc/15/60/63/969156063.db2.gz KQGOZBXAIFWJNA-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO CN1CCC[C@H](C[N@@H+]2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158599 /nfs/dbraw/zinc/15/85/99/969158599.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC[C@H](C[N@H+]2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158607 /nfs/dbraw/zinc/15/86/07/969158607.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158613 /nfs/dbraw/zinc/15/86/13/969158613.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3CCC[C@H]3C2)C1 ZINC001208605182 969158617 /nfs/dbraw/zinc/15/86/17/969158617.db2.gz AJMCXDZMFNZIRN-ZNMIVQPWSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC[C@H](C[NH+]2CC3CCC(CC3)C2)C1 ZINC001208615553 969169387 /nfs/dbraw/zinc/16/93/87/969169387.db2.gz HXSDZIQULRLTQS-NRXISQOPSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CC3CCC(CC3)C2)C1 ZINC001208615553 969169389 /nfs/dbraw/zinc/16/93/89/969169389.db2.gz HXSDZIQULRLTQS-NRXISQOPSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CC3CCC(CC3)C2)C1 ZINC001208615553 969169393 /nfs/dbraw/zinc/16/93/93/969169393.db2.gz HXSDZIQULRLTQS-NRXISQOPSA-N 1 3 236.403 2.450 20 0 BEADHO CCCN1CCC([NH2+]CC2(F)CCC2)CC1 ZINC000390509594 969206813 /nfs/dbraw/zinc/20/68/13/969206813.db2.gz YXJUQWXVRXCQIK-UHFFFAOYSA-N 1 3 228.355 2.343 20 0 BEADHO CC/C=C\CCN1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001208733021 969218378 /nfs/dbraw/zinc/21/83/78/969218378.db2.gz AOHOZPHBRQQQJX-LAWSMPECSA-N 1 3 222.376 2.226 20 0 BEADHO CCc1cc(N(CC[NH3+])c2cccnc2)ccn1 ZINC001168837722 969230529 /nfs/dbraw/zinc/23/05/29/969230529.db2.gz KBKBOTKXJBPQLW-UHFFFAOYSA-N 1 3 242.326 2.136 20 0 BEADHO Cc1ccncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169091453 969410384 /nfs/dbraw/zinc/41/03/84/969410384.db2.gz RLRUHEIVGGJSGG-QKDCVEJESA-N 1 3 245.370 2.105 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126118 969425979 /nfs/dbraw/zinc/42/59/79/969425979.db2.gz PVGIPDVGGSAIIV-QNSTZXKLSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126118 969425982 /nfs/dbraw/zinc/42/59/82/969425982.db2.gz PVGIPDVGGSAIIV-QNSTZXKLSA-N 1 3 240.366 2.292 20 0 BEADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(N)cc2)CC1 ZINC001169230159 969500960 /nfs/dbraw/zinc/50/09/60/969500960.db2.gz UKVHUPMPBSGNAL-LBPRGKRZSA-N 1 3 247.386 2.404 20 0 BEADHO C[C@@H]1CN([C@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516812 969686569 /nfs/dbraw/zinc/68/65/69/969686569.db2.gz QAYPYOGYXZBCRG-NEPJUHHUSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@@H]1CN([C@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516812 969686576 /nfs/dbraw/zinc/68/65/76/969686576.db2.gz QAYPYOGYXZBCRG-NEPJUHHUSA-N 1 3 246.345 2.448 20 0 BEADHO CC[N@H+](Cc1cccnc1)[C@@H]1CCCN(C)CC1 ZINC001254523618 969708179 /nfs/dbraw/zinc/70/81/79/969708179.db2.gz QFPHYTYMIDXPRC-OAHLLOKOSA-N 1 3 247.386 2.388 20 0 BEADHO CC[N@@H+](Cc1cccnc1)[C@@H]1CCCN(C)CC1 ZINC001254523618 969708187 /nfs/dbraw/zinc/70/81/87/969708187.db2.gz QFPHYTYMIDXPRC-OAHLLOKOSA-N 1 3 247.386 2.388 20 0 BEADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134629 970409414 /nfs/dbraw/zinc/40/94/14/970409414.db2.gz CUMNUOVRIVWWJU-RFQIPJPRSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134629 970409419 /nfs/dbraw/zinc/40/94/19/970409419.db2.gz CUMNUOVRIVWWJU-RFQIPJPRSA-N 1 3 222.376 2.059 20 0 BEADHO CC[C@@H]1C[C@@H]([N@H+](CCCN)C(C)C)CCO1 ZINC001170171046 970540865 /nfs/dbraw/zinc/54/08/65/970540865.db2.gz OOUKXELEWBAUAR-QWHCGFSZSA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@@H]1C[C@@H]([N@@H+](CCCN)C(C)C)CCO1 ZINC001170171046 970540871 /nfs/dbraw/zinc/54/08/71/970540871.db2.gz OOUKXELEWBAUAR-QWHCGFSZSA-N 1 3 228.380 2.003 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)n1ccnc1[C@H](C)N ZINC001255940624 970569371 /nfs/dbraw/zinc/56/93/71/970569371.db2.gz FDPYJEAWEMCGBA-NEPJUHHUSA-N 1 3 238.379 2.196 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C1(C)CCOCC1 ZINC001255941808 970573321 /nfs/dbraw/zinc/57/33/21/970573321.db2.gz XLLSIIVDJMWAHJ-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC001255951298 970590770 /nfs/dbraw/zinc/59/07/70/970590770.db2.gz HULWTIFJULXMSK-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO C[NH+]1CCC(N2CCCC[C@@](C)(F)C2)CC1 ZINC001256202322 970701960 /nfs/dbraw/zinc/70/19/60/970701960.db2.gz DGDBKVWGFMQDDX-CYBMUJFWSA-N 1 3 228.355 2.295 20 0 BEADHO CC(C)CC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001256357581 970735797 /nfs/dbraw/zinc/73/57/97/970735797.db2.gz IBYATORXIZULOB-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)CC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001256357581 970735809 /nfs/dbraw/zinc/73/58/09/970735809.db2.gz IBYATORXIZULOB-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO C[C@H](CC1CC1)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560400 972792226 /nfs/dbraw/zinc/79/22/26/972792226.db2.gz ULPMPFLRVLILIC-KOLCDFICSA-N 1 3 232.318 2.091 20 0 BEADHO CC(C)([NH3+])CNc1cc(N2CCCCC2)ccn1 ZINC001171191462 972838252 /nfs/dbraw/zinc/83/82/52/972838252.db2.gz YCVHGYVXJCQTMP-UHFFFAOYSA-N 1 3 248.374 2.221 20 0 BEADHO C1[C@@H]2C[C@H]([N@@H+]3CCC[C@]34CCCNC4)C[C@H]12 ZINC001246605923 973025084 /nfs/dbraw/zinc/02/50/84/973025084.db2.gz CZAMZKQOJJLUEE-DGAVXFQQSA-N 1 3 220.360 2.003 20 0 BEADHO C1[C@@H]2C[C@H]([N@H+]3CCC[C@]34CCCNC4)C[C@H]12 ZINC001246605923 973025091 /nfs/dbraw/zinc/02/50/91/973025091.db2.gz CZAMZKQOJJLUEE-DGAVXFQQSA-N 1 3 220.360 2.003 20 0 BEADHO CCCC[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246655149 973071714 /nfs/dbraw/zinc/07/17/14/973071714.db2.gz GJZJEZIUCIOBBU-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO CCCC[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246655149 973071727 /nfs/dbraw/zinc/07/17/27/973071727.db2.gz GJZJEZIUCIOBBU-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO CCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660522 973074334 /nfs/dbraw/zinc/07/43/34/973074334.db2.gz UWBIDIIGXDPMIA-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO CCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660522 973074345 /nfs/dbraw/zinc/07/43/45/973074345.db2.gz UWBIDIIGXDPMIA-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665980 973079280 /nfs/dbraw/zinc/07/92/80/973079280.db2.gz VOMDTPRPHJXJAN-YHQUGGNUSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665980 973079294 /nfs/dbraw/zinc/07/92/94/973079294.db2.gz VOMDTPRPHJXJAN-YHQUGGNUSA-N 1 3 224.392 2.480 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C)NC1 ZINC001246810987 973112540 /nfs/dbraw/zinc/11/25/40/973112540.db2.gz PKQAUCABJYPPAP-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C)NC1 ZINC001246810987 973112552 /nfs/dbraw/zinc/11/25/52/973112552.db2.gz PKQAUCABJYPPAP-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO C1=C[C@@H]2CC[C@H]1C[C@@H]2[NH2+]CCCN1CCCC1 ZINC001332834038 1169969180 /nfs/dbraw/zinc/96/91/80/1169969180.db2.gz QREPHXIJYQSJKS-ZNMIVQPWSA-N 1 3 234.387 2.417 20 0 BEADHO Cc1ccc(CC[C@@H](C)NC2(C[NH3+])CC2)cc1 ZINC001171666503 974130313 /nfs/dbraw/zinc/13/03/13/974130313.db2.gz YNZGINWXDQNRTQ-CYBMUJFWSA-N 1 3 232.371 2.397 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccncc1)C2 ZINC001172100333 974345011 /nfs/dbraw/zinc/34/50/11/974345011.db2.gz OXMBSJBPIAMXID-QDMKHBRRSA-N 1 3 245.370 2.187 20 0 BEADHO CC(C)OCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100100 974346635 /nfs/dbraw/zinc/34/66/35/974346635.db2.gz MVWMFCYCGMICQF-BTTYYORXSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100100 974346643 /nfs/dbraw/zinc/34/66/43/974346643.db2.gz MVWMFCYCGMICQF-BTTYYORXSA-N 1 3 240.391 2.016 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]1CF)C2 ZINC001172130193 974352109 /nfs/dbraw/zinc/35/21/09/974352109.db2.gz HQPRPJSYWLKMLY-RQJABVFESA-N 1 3 240.366 2.436 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H]1CF)C2 ZINC001172130193 974352114 /nfs/dbraw/zinc/35/21/14/974352114.db2.gz HQPRPJSYWLKMLY-RQJABVFESA-N 1 3 240.366 2.436 20 0 BEADHO NC[C@@H]1CCC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001172188441 974395210 /nfs/dbraw/zinc/39/52/10/974395210.db2.gz SLWBUNUJRMGGJC-QWHCGFSZSA-N 1 3 248.395 2.127 20 0 BEADHO NC[C@@H]1CCC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001172188441 974395220 /nfs/dbraw/zinc/39/52/20/974395220.db2.gz SLWBUNUJRMGGJC-QWHCGFSZSA-N 1 3 248.395 2.127 20 0 BEADHO CC[C@@H](CC(C)C)[N@H+](C)C[C@@H](C)CN ZINC001172394489 974746544 /nfs/dbraw/zinc/74/65/44/974746544.db2.gz VKQXHTTWFXWJOA-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@@H](CC(C)C)[N@@H+](C)C[C@@H](C)CN ZINC001172394489 974746547 /nfs/dbraw/zinc/74/65/47/974746547.db2.gz VKQXHTTWFXWJOA-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO NC1CC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172561687 974870378 /nfs/dbraw/zinc/87/03/78/974870378.db2.gz XXWGUSYPGTWCGP-JLVJUDLZSA-N 1 3 230.355 2.402 20 0 BEADHO [NH3+]C1CC(N[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172561687 974870380 /nfs/dbraw/zinc/87/03/80/974870380.db2.gz XXWGUSYPGTWCGP-JLVJUDLZSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@H](CN)C[N@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172652124 974895497 /nfs/dbraw/zinc/89/54/97/974895497.db2.gz MGHKZEGKSKJUDU-LLVKDONJSA-N 1 3 242.407 2.249 20 0 BEADHO C[C@H](CN)C[N@@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172652124 974895500 /nfs/dbraw/zinc/89/55/00/974895500.db2.gz MGHKZEGKSKJUDU-LLVKDONJSA-N 1 3 242.407 2.249 20 0 BEADHO CC[N@@H+]1CC[C@H](n2c(CN)cc3ccccc32)C1 ZINC001173349900 975293269 /nfs/dbraw/zinc/29/32/69/975293269.db2.gz KTBXBKHKIRAYHO-ZDUSSCGKSA-N 1 3 243.354 2.367 20 0 BEADHO CC[N@H+]1CC[C@H](n2c(CN)cc3ccccc32)C1 ZINC001173349900 975293278 /nfs/dbraw/zinc/29/32/78/975293278.db2.gz KTBXBKHKIRAYHO-ZDUSSCGKSA-N 1 3 243.354 2.367 20 0 BEADHO C[NH+](C)Cc1ccccc1Nc1ccncc1 ZINC001173883031 975940794 /nfs/dbraw/zinc/94/07/94/975940794.db2.gz CJZVJBRKWPXTEH-UHFFFAOYSA-N 1 3 227.311 2.309 20 0 BEADHO C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936126 976591274 /nfs/dbraw/zinc/59/12/74/976591274.db2.gz BXNZKJMMKWLUTO-LBPRGKRZSA-N 1 3 248.370 2.003 20 0 BEADHO Cc1cnccc1N(C)c1cc(N)cc[nH+]1 ZINC001174537367 976821809 /nfs/dbraw/zinc/82/18/09/976821809.db2.gz HRLDYCYSUPESGM-UHFFFAOYSA-N 1 3 214.272 2.135 20 0 BEADHO NC[C@H]1CCC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001574270387 1170025230 /nfs/dbraw/zinc/02/52/30/1170025230.db2.gz FFLRDHMLZWWJSS-CYBMUJFWSA-N 1 3 244.382 2.072 20 0 BEADHO NC[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001574270387 1170025236 /nfs/dbraw/zinc/02/52/36/1170025236.db2.gz FFLRDHMLZWWJSS-CYBMUJFWSA-N 1 3 244.382 2.072 20 0 BEADHO c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC001337652088 978441978 /nfs/dbraw/zinc/44/19/78/978441978.db2.gz WRHZVJAQXWQLAP-CQSZACIVSA-N 1 3 231.343 2.146 20 0 BEADHO CC(C)c1ccc(CC[N@@H+]2C[C@@H]3C[C@]3(N)C2)cc1 ZINC001235145583 978980935 /nfs/dbraw/zinc/98/09/35/978980935.db2.gz DIRSZZPFTXSCSW-HOTGVXAUSA-N 1 3 244.382 2.386 20 0 BEADHO CC(C)c1ccc(CC[N@H+]2C[C@@H]3C[C@]3(N)C2)cc1 ZINC001235145583 978980939 /nfs/dbraw/zinc/98/09/39/978980939.db2.gz DIRSZZPFTXSCSW-HOTGVXAUSA-N 1 3 244.382 2.386 20 0 BEADHO C[C@@H](N)C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235154829 978983170 /nfs/dbraw/zinc/98/31/70/978983170.db2.gz WJJTVWZTFBFGAZ-CYBMUJFWSA-N 1 3 244.382 2.314 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@H]3C[C@@]3(N)C2)c1C ZINC001235166317 978986771 /nfs/dbraw/zinc/98/67/71/978986771.db2.gz QVVOIAZVEHINNK-LSDHHAIUSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@H]3C[C@@]3(N)C2)c1C ZINC001235166317 978986775 /nfs/dbraw/zinc/98/67/75/978986775.db2.gz QVVOIAZVEHINNK-LSDHHAIUSA-N 1 3 230.355 2.227 20 0 BEADHO c1c[nH]c(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235230599 978998630 /nfs/dbraw/zinc/99/86/30/978998630.db2.gz PZNZHWOLEXCSQS-HNNXBMFYSA-N 1 3 247.386 2.369 20 0 BEADHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1C ZINC001235958461 979226235 /nfs/dbraw/zinc/22/62/35/979226235.db2.gz FGXQPIWLYOTSSI-MUJYYYPQSA-N 1 3 244.382 2.473 20 0 BEADHO N[C@]12CC[C@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984217 979266594 /nfs/dbraw/zinc/26/65/94/979266594.db2.gz BCWJNGQVQUJSEO-ZFWWWQNUSA-N 1 3 242.322 2.356 20 0 BEADHO N[C@]12CC[C@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984217 979266600 /nfs/dbraw/zinc/26/66/00/979266600.db2.gz BCWJNGQVQUJSEO-ZFWWWQNUSA-N 1 3 242.322 2.356 20 0 BEADHO CC1CC(C[N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC001341375589 979366517 /nfs/dbraw/zinc/36/65/17/979366517.db2.gz OFGMKYZPFJTEOL-JXQTWKCFSA-N 1 3 224.392 2.449 20 0 BEADHO CC1CC(C[N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC001341375589 979366510 /nfs/dbraw/zinc/36/65/10/979366510.db2.gz OFGMKYZPFJTEOL-JXQTWKCFSA-N 1 3 224.392 2.449 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2CCNCC[C@H]2C)c1 ZINC000085622263 979525041 /nfs/dbraw/zinc/52/50/41/979525041.db2.gz JXIVGSKNXLHXAX-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2CCNCC[C@H]2C)c1 ZINC000085622263 979525047 /nfs/dbraw/zinc/52/50/47/979525047.db2.gz JXIVGSKNXLHXAX-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@H]1CN(CCCC[NH3+])[C@@H](c2ccccc2)CO1 ZINC001236620239 979681018 /nfs/dbraw/zinc/68/10/18/979681018.db2.gz AUPBZZFXBHVLFA-DZGCQCFKSA-N 1 3 248.370 2.187 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691663203 980382598 /nfs/dbraw/zinc/38/25/98/980382598.db2.gz RRXRKPZOKDRZIB-OOJKYFRXSA-N 1 3 236.403 2.483 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691663203 980382603 /nfs/dbraw/zinc/38/26/03/980382603.db2.gz RRXRKPZOKDRZIB-OOJKYFRXSA-N 1 3 236.403 2.483 20 0 BEADHO C/C=C(\NC=[NH2+])c1ccccc1CN(C)C ZINC001239680514 980840380 /nfs/dbraw/zinc/84/03/80/980840380.db2.gz ZOBSPJZHUSGXOA-PQMHYQBVSA-N 1 3 217.316 2.306 20 0 BEADHO COC1(CN(C)CC(C)(C)C[NH+](C)C)CCC1 ZINC001352114004 982473611 /nfs/dbraw/zinc/47/36/11/982473611.db2.gz XBQHGYGLZUGNCI-UHFFFAOYSA-N 1 3 242.407 2.075 20 0 BEADHO CCCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC001201722631 983429708 /nfs/dbraw/zinc/42/97/08/983429708.db2.gz FDUKMDTYNWTEML-UHFFFAOYSA-N 1 3 233.359 2.312 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001202189990 983593863 /nfs/dbraw/zinc/59/38/63/983593863.db2.gz ITCUICMXDQUHHD-GASCZTMLSA-N 1 3 236.403 2.450 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001202189990 983593877 /nfs/dbraw/zinc/59/38/77/983593877.db2.gz ITCUICMXDQUHHD-GASCZTMLSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)[C@H](C)N ZINC001576105053 984152924 /nfs/dbraw/zinc/15/29/24/984152924.db2.gz NABOXLZEIKFCAG-XDFYEUQUSA-N 1 3 222.307 2.164 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1cccc(C)c1 ZINC001577124509 984189245 /nfs/dbraw/zinc/18/92/45/984189245.db2.gz FKISSNVOKIJUKB-JSGCOSHPSA-N 1 3 220.360 2.253 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1cccc(C)c1 ZINC001577124511 984190787 /nfs/dbraw/zinc/19/07/87/984190787.db2.gz FKISSNVOKIJUKB-TZMCWYRMSA-N 1 3 220.360 2.253 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1cccc(C)c1 ZINC001577124508 984190923 /nfs/dbraw/zinc/19/09/23/984190923.db2.gz FKISSNVOKIJUKB-GXTWGEPZSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001308985547 984653035 /nfs/dbraw/zinc/65/30/35/984653035.db2.gz XPHWJMXSDNKKLN-ZCGGHUBDSA-N 1 3 248.414 2.351 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256799567 984840636 /nfs/dbraw/zinc/84/06/36/984840636.db2.gz VFPQOPOZDXYIDU-BPLDGKMQSA-N 1 3 248.370 2.091 20 0 BEADHO CCn1ccc(CN(C)C[C@H](C[NH3+])C(C)C)c1 ZINC001578350433 984985438 /nfs/dbraw/zinc/98/54/38/984985438.db2.gz OSOWZDPJWPZOTA-AWEZNQCLSA-N 1 3 237.391 2.171 20 0 BEADHO CC[C@@H](C)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001257432889 985007358 /nfs/dbraw/zinc/00/73/58/985007358.db2.gz ASMDFFOAGNSUGI-CYBMUJFWSA-N 1 3 247.386 2.216 20 0 BEADHO CNc1ccc(C)cc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC001578757613 985327310 /nfs/dbraw/zinc/32/73/10/985327310.db2.gz UUDQPNOPIMLVDT-VXGBXAGGSA-N 1 3 235.375 2.252 20 0 BEADHO c1c(C[NH2+][C@]23C[C@H]2CCC3)sc2c1CNCC2 ZINC000687980295 985439605 /nfs/dbraw/zinc/43/96/05/985439605.db2.gz GIXCQTXWIJCDSK-BXUZGUMPSA-N 1 3 248.395 2.426 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+]CC1(CN)CCC1 ZINC001578960914 985565599 /nfs/dbraw/zinc/56/55/99/985565599.db2.gz PNWUFPRRDRIGLP-LBPRGKRZSA-N 1 3 242.407 2.156 20 0 BEADHO CN(C)Cc1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243894484 985573327 /nfs/dbraw/zinc/57/33/27/985573327.db2.gz JGXVFDVHFGCLTN-HWKANZROSA-N 1 3 245.370 2.156 20 0 BEADHO [NH3+][C@@H](CC(F)F)CN1CCC[C@@H]1C1CCC1 ZINC000688242617 985589564 /nfs/dbraw/zinc/58/95/64/985589564.db2.gz VHGDVTZWLSGJEG-WDEREUQCSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H](CC[NH2+]C1CCC(F)(F)CC1)N(C)C ZINC000688319897 985609747 /nfs/dbraw/zinc/60/97/47/985609747.db2.gz WZFDKONTUYQHAZ-JTQLQIEISA-N 1 3 234.334 2.494 20 0 BEADHO CN1CCc2ccc(C3=C[NH2+]CCC3)cc2C1 ZINC001243951979 985657797 /nfs/dbraw/zinc/65/77/97/985657797.db2.gz FDGNIUJDANWJQT-UHFFFAOYSA-N 1 3 228.339 2.399 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CC3CC3)C[C@H]2C1 ZINC001258471338 985934517 /nfs/dbraw/zinc/93/45/17/985934517.db2.gz ZERXJVPKXWGKGA-BPLDGKMQSA-N 1 3 236.403 2.449 20 0 BEADHO NC[C@H]1CCCC[N@H+](CCCc2cccnc2)C1 ZINC001206607146 985957569 /nfs/dbraw/zinc/95/75/69/985957569.db2.gz WOAHOUZQWWIUBN-OAHLLOKOSA-N 1 3 247.386 2.075 20 0 BEADHO NC[C@H]1CCCC[N@@H+](CCCc2cccnc2)C1 ZINC001206607146 985957583 /nfs/dbraw/zinc/95/75/83/985957583.db2.gz WOAHOUZQWWIUBN-OAHLLOKOSA-N 1 3 247.386 2.075 20 0 BEADHO [NH3+]C[C@H]1CCCCN(CCCc2cccnc2)C1 ZINC001206607146 985957594 /nfs/dbraw/zinc/95/75/94/985957594.db2.gz WOAHOUZQWWIUBN-OAHLLOKOSA-N 1 3 247.386 2.075 20 0 BEADHO Cc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@@H](N)C2)c1 ZINC001579759604 986213238 /nfs/dbraw/zinc/21/32/38/986213238.db2.gz PGOYOPYPOPHXDD-BNOWGMLFSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1cccc(C[C@@H](C)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001579759604 986213246 /nfs/dbraw/zinc/21/32/46/986213246.db2.gz PGOYOPYPOPHXDD-BNOWGMLFSA-N 1 3 218.344 2.005 20 0 BEADHO Cn1cccc1[C@@H]1CCCN1CC(C)(C)C[NH3+] ZINC001579974622 986378493 /nfs/dbraw/zinc/37/84/93/986378493.db2.gz PMAXNBGIMZGSIO-ZDUSSCGKSA-N 1 3 235.375 2.147 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CCC=CO1 ZINC001462672614 986507809 /nfs/dbraw/zinc/50/78/09/986507809.db2.gz KPWLWWQZVCXEDQ-UONOGXRCSA-N 1 3 240.391 2.389 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC001462672614 986507835 /nfs/dbraw/zinc/50/78/35/986507835.db2.gz KPWLWWQZVCXEDQ-UONOGXRCSA-N 1 3 240.391 2.389 20 0 BEADHO CC[NH+]1CCC(NC/C=C/C2CC2)CC1 ZINC000378847500 986617152 /nfs/dbraw/zinc/61/71/52/986617152.db2.gz AWXWYHXBWYGLET-ONEGZZNKSA-N 1 3 208.349 2.027 20 0 BEADHO CCC[N@H+](CC(C)C)[C@@H](C)CCNC ZINC000379592954 986668144 /nfs/dbraw/zinc/66/81/44/986668144.db2.gz ZWGBQAFSQCMWMC-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO CCC[N@@H+](CC(C)C)[C@@H](C)CCNC ZINC000379592954 986668164 /nfs/dbraw/zinc/66/81/64/986668164.db2.gz ZWGBQAFSQCMWMC-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccn1C1CC1 ZINC001580262197 986719022 /nfs/dbraw/zinc/71/90/22/986719022.db2.gz QJSJNSUNWJUCON-WFASDCNBSA-N 1 3 247.386 2.430 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccn1C1CC1 ZINC001580262195 986719773 /nfs/dbraw/zinc/71/97/73/986719773.db2.gz QJSJNSUNWJUCON-IUODEOHRSA-N 1 3 247.386 2.430 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC001255779277 987068444 /nfs/dbraw/zinc/06/84/44/987068444.db2.gz AAQYVGDNTSARTN-QWHCGFSZSA-N 1 3 220.360 2.110 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC001255779274 987069480 /nfs/dbraw/zinc/06/94/80/987069480.db2.gz AAQYVGDNTSARTN-CHWSQXEVSA-N 1 3 220.360 2.110 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN)cc1 ZINC001255779278 987071613 /nfs/dbraw/zinc/07/16/13/987071613.db2.gz AAQYVGDNTSARTN-STQMWFEESA-N 1 3 220.360 2.110 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCn1cccc1 ZINC001255940349 987077102 /nfs/dbraw/zinc/07/71/02/987077102.db2.gz ABMUICMSEUXQGO-AWEZNQCLSA-N 1 3 237.391 2.198 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCCn1cccc1 ZINC001255940349 987077121 /nfs/dbraw/zinc/07/71/21/987077121.db2.gz ABMUICMSEUXQGO-AWEZNQCLSA-N 1 3 237.391 2.198 20 0 BEADHO CSC[C@H](C)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693662818 987313177 /nfs/dbraw/zinc/31/31/77/987313177.db2.gz GVEBZRFFQQYYCC-WHOHXGKFSA-N 1 3 242.432 2.104 20 0 BEADHO CSC[C@H](C)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693662818 987313184 /nfs/dbraw/zinc/31/31/84/987313184.db2.gz GVEBZRFFQQYYCC-WHOHXGKFSA-N 1 3 242.432 2.104 20 0 BEADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CCNCC1 ZINC001246077185 987367757 /nfs/dbraw/zinc/36/77/57/987367757.db2.gz HWEZHIGQGYOVEF-NSHDSACASA-N 1 3 236.334 2.098 20 0 BEADHO Cc1cccc2c1CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246077154 987367966 /nfs/dbraw/zinc/36/79/66/987367966.db2.gz HBSXLURXZKCPHL-OAHLLOKOSA-N 1 3 244.382 2.194 20 0 BEADHO CSC(C)(C)C[C@H](C)[NH2+]C1CCNCC1 ZINC001246079529 987370544 /nfs/dbraw/zinc/37/05/44/987370544.db2.gz QCNZGDNLLULSLJ-JTQLQIEISA-N 1 3 230.421 2.248 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C)CN1 ZINC001246092589 987398073 /nfs/dbraw/zinc/39/80/73/987398073.db2.gz FBJKHLGYWMPOIM-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CCC1CCC([NH2+][C@H]2CNC[C@@H]2C)CC1 ZINC001246107227 987437131 /nfs/dbraw/zinc/43/71/31/987437131.db2.gz GYCICCYRIUQONO-WTIISPKJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC001246117186 987457612 /nfs/dbraw/zinc/45/76/12/987457612.db2.gz OJRMLVOIYNRJNN-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1CC([NH2+][C@H]2CNCC23CC3)C[C@H](C)C1 ZINC001246127981 987477019 /nfs/dbraw/zinc/47/70/19/987477019.db2.gz CZPLZYZJSZICFV-WZRBSPASSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246132432 987481362 /nfs/dbraw/zinc/48/13/62/987481362.db2.gz CTUHCTAXBDIRFO-CYDGBPFRSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CCC[C@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246136401 987491499 /nfs/dbraw/zinc/49/14/99/987491499.db2.gz WTSJIXYSZFDKFS-RYUDHWBXSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC(C)(C)C1 ZINC001246145935 987504798 /nfs/dbraw/zinc/50/47/98/987504798.db2.gz GFYFXSDTJBDMMA-PDWCTOEPSA-N 1 3 236.403 2.399 20 0 BEADHO C1[C@@H]2CNC[C@H]1[C@H]2[NH2+]C1CCCCCCC1 ZINC001246145141 987505150 /nfs/dbraw/zinc/50/51/50/987505150.db2.gz DMQXDOYGBITOJJ-IMRBUKKESA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246151082 987511063 /nfs/dbraw/zinc/51/10/63/987511063.db2.gz VXDHFRHQBWDDPM-RGDJUOJXSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCc2cccs2)CCN1 ZINC001246171516 987538800 /nfs/dbraw/zinc/53/88/00/987538800.db2.gz WHLQINKITSLFKF-VXGBXAGGSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(O)cc1 ZINC001246272963 987666468 /nfs/dbraw/zinc/66/64/68/987666468.db2.gz NCCXSMJIDDZPCC-YRGRVCCFSA-N 1 3 248.370 2.226 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001246313108 987716430 /nfs/dbraw/zinc/71/64/30/987716430.db2.gz JAVULLJOGVFYEL-RRFJBIMHSA-N 1 3 248.370 2.234 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(C)cc1 ZINC001246315102 987720095 /nfs/dbraw/zinc/72/00/95/987720095.db2.gz HFYGSEBLQLLDDY-GXTWGEPZSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CCCCCCCCO)CCN1 ZINC001246340593 987750361 /nfs/dbraw/zinc/75/03/61/987750361.db2.gz IWBZJKRDZQPOMG-KBPBESRZSA-N 1 3 242.407 2.049 20 0 BEADHO FC1(F)CCC2(C[C@H]2[NH2+]C2CCNCC2)CC1 ZINC001246386911 987779641 /nfs/dbraw/zinc/77/96/41/987779641.db2.gz PZFTYJHFYLJBAR-LLVKDONJSA-N 1 3 244.329 2.296 20 0 BEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CCNC1)C2(C)C ZINC001246442488 987799207 /nfs/dbraw/zinc/79/92/07/987799207.db2.gz JKMCTLAEGZNIFT-KIJLLGNVSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2(CC3CC3)CC2)CCN1 ZINC001246445155 987801463 /nfs/dbraw/zinc/80/14/63/987801463.db2.gz MYLCSHXSGNBDJQ-CMPLNLGQSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2(CC3CC3)CC2)CCN1 ZINC001246445156 987802086 /nfs/dbraw/zinc/80/20/86/987802086.db2.gz MYLCSHXSGNBDJQ-JQWIXIFHSA-N 1 3 208.349 2.049 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC23CNC3)cc1 ZINC001246445170 987802500 /nfs/dbraw/zinc/80/25/00/987802500.db2.gz NEPOVSUAVOJIFP-HIFRSBDPSA-N 1 3 244.382 2.268 20 0 BEADHO C[C@@H]1C[C@@H](N[C@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246451894 987809413 /nfs/dbraw/zinc/80/94/13/987809413.db2.gz IFIOPLPUHFROKX-ONERCXAPSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(F)cc3C2)CCN1 ZINC001246451894 987809415 /nfs/dbraw/zinc/80/94/15/987809415.db2.gz IFIOPLPUHFROKX-ONERCXAPSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@](C)(N)C2)C[C@@H]1C ZINC001246460739 987818856 /nfs/dbraw/zinc/81/88/56/987818856.db2.gz MUCBLPDSXMTJLN-SJHCENCUSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](NC)C1 ZINC001246461058 987819519 /nfs/dbraw/zinc/81/95/19/987819519.db2.gz MYALZVZRYRYQRQ-KKUMJFAQSA-N 1 3 232.371 2.348 20 0 BEADHO CC[C@@H](Cc1ccccc1)N[C@H]1C[C@H]([NH2+]C)C1 ZINC001246461058 987819523 /nfs/dbraw/zinc/81/95/23/987819523.db2.gz MYALZVZRYRYQRQ-KKUMJFAQSA-N 1 3 232.371 2.348 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC001246460489 987819995 /nfs/dbraw/zinc/81/99/95/987819995.db2.gz JCMQCZMQVGTARB-AVGNSLFASA-N 1 3 210.365 2.461 20 0 BEADHO CN[C@H]1C[C@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001246459892 987820826 /nfs/dbraw/zinc/82/08/26/987820826.db2.gz HTBLJIUNSHFWBL-PRULPYPASA-N 1 3 210.365 2.151 20 0 BEADHO CCCCC[C@@H](CC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246463843 987822358 /nfs/dbraw/zinc/82/23/58/987822358.db2.gz HQGGQBRCXIEQIO-MCIONIFRSA-N 1 3 242.407 2.312 20 0 BEADHO CC(C)[NH2+]CCN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001246467631 987826880 /nfs/dbraw/zinc/82/68/80/987826880.db2.gz ZJJFXJNEVGWQBZ-JHJVBQTASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1N ZINC001246478531 987837864 /nfs/dbraw/zinc/83/78/64/987837864.db2.gz PCWFXBBUWLUGEY-YIZRAAEISA-N 1 3 224.270 2.187 20 0 BEADHO C[NH2+][C@H]1C[C@@H](N[C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246499035 987852757 /nfs/dbraw/zinc/85/27/57/987852757.db2.gz RLYQEELPIZHYRM-AEGPPILISA-N 1 3 232.371 2.266 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(C)cc2)C1 ZINC001246499035 987852759 /nfs/dbraw/zinc/85/27/59/987852759.db2.gz RLYQEELPIZHYRM-AEGPPILISA-N 1 3 232.371 2.266 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC001246539297 987904327 /nfs/dbraw/zinc/90/43/27/987904327.db2.gz HECQLJLNRQBCLU-YVECIDJPSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC001246539297 987904342 /nfs/dbraw/zinc/90/43/42/987904342.db2.gz HECQLJLNRQBCLU-YVECIDJPSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540991 987910147 /nfs/dbraw/zinc/91/01/47/987910147.db2.gz LITKAQKPZYYPBP-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540991 987910155 /nfs/dbraw/zinc/91/01/55/987910155.db2.gz LITKAQKPZYYPBP-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCC[C@@H](N)CC3)C[C@@H]21 ZINC001246543048 987913637 /nfs/dbraw/zinc/91/36/37/987913637.db2.gz RTNFVVZKGHKUHD-FVCCEPFGSA-N 1 3 222.376 2.234 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@H](N)CC3)C[C@@H]21 ZINC001246543048 987913644 /nfs/dbraw/zinc/91/36/44/987913644.db2.gz RTNFVVZKGHKUHD-FVCCEPFGSA-N 1 3 222.376 2.234 20 0 BEADHO CC1(C)CC[C@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC001246545342 987917331 /nfs/dbraw/zinc/91/73/31/987917331.db2.gz JHKFRHAUBAUUCY-NEPJUHHUSA-N 1 3 210.365 2.378 20 0 BEADHO CC1(C)CC[C@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC001246545342 987917337 /nfs/dbraw/zinc/91/73/37/987917337.db2.gz JHKFRHAUBAUUCY-NEPJUHHUSA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@H]1CC[C@@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246547748 987930283 /nfs/dbraw/zinc/93/02/83/987930283.db2.gz NBRVWLZDDNQPIM-WUHRBBMRSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1CC[C@@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246547748 987930297 /nfs/dbraw/zinc/93/02/97/987930297.db2.gz NBRVWLZDDNQPIM-WUHRBBMRSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561870 987990909 /nfs/dbraw/zinc/99/09/09/987990909.db2.gz GYAAJXMSTLJZLK-MQYQWHSLSA-N 1 3 242.407 2.249 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561870 987990912 /nfs/dbraw/zinc/99/09/12/987990912.db2.gz GYAAJXMSTLJZLK-MQYQWHSLSA-N 1 3 242.407 2.249 20 0 BEADHO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561874 987991455 /nfs/dbraw/zinc/99/14/55/987991455.db2.gz GYAAJXMSTLJZLK-RQJABVFESA-N 1 3 242.407 2.249 20 0 BEADHO CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561874 987991475 /nfs/dbraw/zinc/99/14/75/987991475.db2.gz GYAAJXMSTLJZLK-RQJABVFESA-N 1 3 242.407 2.249 20 0 BEADHO CC(C)OCC[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246584165 988126101 /nfs/dbraw/zinc/12/61/01/988126101.db2.gz SOQUJIIKDGVMBP-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCC[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246584165 988126113 /nfs/dbraw/zinc/12/61/13/988126113.db2.gz SOQUJIIKDGVMBP-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246584422 988132323 /nfs/dbraw/zinc/13/23/23/988132323.db2.gz ALUDKAYKLDXMEI-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246584422 988132329 /nfs/dbraw/zinc/13/23/29/988132329.db2.gz ALUDKAYKLDXMEI-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCCC[C@H](CN)C3)C[C@@H]21 ZINC001246584948 988139988 /nfs/dbraw/zinc/13/99/88/988139988.db2.gz XBBWFQLWPIYKRX-SYQHCUMBSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@H](CN)C3)C[C@@H]21 ZINC001246584948 988140003 /nfs/dbraw/zinc/14/00/03/988140003.db2.gz XBBWFQLWPIYKRX-SYQHCUMBSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1CC[C@H](N2CC(C)(C[NH3+])C2)C[C@@H]1C ZINC001246586497 988146898 /nfs/dbraw/zinc/14/68/98/988146898.db2.gz BFKBSLADLIXBPI-WOPDTQHZSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CC[C@H]([NH+]2CC(C)(CN)C2)C[C@@H]1C ZINC001246586497 988146912 /nfs/dbraw/zinc/14/69/12/988146912.db2.gz BFKBSLADLIXBPI-WOPDTQHZSA-N 1 3 210.365 2.092 20 0 BEADHO CCC1CCC(N2CC(C)(C[NH3+])C2)CC1 ZINC001246600657 988208627 /nfs/dbraw/zinc/20/86/27/988208627.db2.gz UBOGSWHDHDXQOB-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H](CC(C)C)N1CC2(C1)CCC[NH2+]C2 ZINC001246619051 988268358 /nfs/dbraw/zinc/26/83/58/988268358.db2.gz KQNSWGZPBLUOKC-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H](CC(C)C)N1CC2(C1)CCC[NH2+]C2 ZINC001246619050 988271770 /nfs/dbraw/zinc/27/17/70/988271770.db2.gz KQNSWGZPBLUOKC-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246632908 988306784 /nfs/dbraw/zinc/30/67/84/988306784.db2.gz ISDJJFXQPGHPOI-AUZPSNTRSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246632908 988306805 /nfs/dbraw/zinc/30/68/05/988306805.db2.gz ISDJJFXQPGHPOI-AUZPSNTRSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H]1CC([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@H](C)C1 ZINC001246632912 988310136 /nfs/dbraw/zinc/31/01/36/988310136.db2.gz ISDJJFXQPGHPOI-MHDGFBEUSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H]1CC([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@H](C)C1 ZINC001246632912 988310150 /nfs/dbraw/zinc/31/01/50/988310150.db2.gz ISDJJFXQPGHPOI-MHDGFBEUSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640479 988342187 /nfs/dbraw/zinc/34/21/87/988342187.db2.gz UONSFSKAHKTOKM-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640479 988342203 /nfs/dbraw/zinc/34/22/03/988342203.db2.gz UONSFSKAHKTOKM-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661410 988398407 /nfs/dbraw/zinc/39/84/07/988398407.db2.gz WVMYHYMFPFBHBB-POQQGIQPSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661410 988398423 /nfs/dbraw/zinc/39/84/23/988398423.db2.gz WVMYHYMFPFBHBB-POQQGIQPSA-N 1 3 224.392 2.336 20 0 BEADHO C[C@@H]1C[C@H](N2CC[C@@H](c3ccncc3)C2)CC[NH2+]1 ZINC001246773700 988453685 /nfs/dbraw/zinc/45/36/85/988453685.db2.gz COTYVIFTYIEHGP-BPLDGKMQSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](c3ccncc3)C2)CCN1 ZINC001246773700 988453698 /nfs/dbraw/zinc/45/36/98/988453698.db2.gz COTYVIFTYIEHGP-BPLDGKMQSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](c3ccncc3)C2)CCN1 ZINC001246773700 988453704 /nfs/dbraw/zinc/45/37/04/988453704.db2.gz COTYVIFTYIEHGP-BPLDGKMQSA-N 1 3 245.370 2.011 20 0 BEADHO CCCOC1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246788746 988468719 /nfs/dbraw/zinc/46/87/19/988468719.db2.gz ILBKGFYXUYPZJH-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CCCOC1CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC001246788746 988468725 /nfs/dbraw/zinc/46/87/25/988468725.db2.gz ILBKGFYXUYPZJH-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)[C@@H]1CCC[NH2+]1 ZINC001118607848 988476517 /nfs/dbraw/zinc/47/65/17/988476517.db2.gz FROQHWGOKSNIEY-KNZXXDILSA-N 1 3 244.329 2.150 20 0 BEADHO CC[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246843277 988550572 /nfs/dbraw/zinc/55/05/72/988550572.db2.gz FMAHAOQRSOBZIB-FRRDWIJNSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246843277 988550584 /nfs/dbraw/zinc/55/05/84/988550584.db2.gz FMAHAOQRSOBZIB-FRRDWIJNSA-N 1 3 210.365 2.391 20 0 BEADHO C1C[C@H]2CN(C3CCCCCC3)C[C@@H]1C[NH2+]2 ZINC001246862936 988608001 /nfs/dbraw/zinc/60/80/01/988608001.db2.gz FMXOJYHWEUSRMH-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C)NC2)C2(CC2)C1 ZINC001246893427 988665076 /nfs/dbraw/zinc/66/50/76/988665076.db2.gz KUHBMHPBTLFWDA-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C)NC2)C2(CC2)C1 ZINC001246893427 988665083 /nfs/dbraw/zinc/66/50/83/988665083.db2.gz KUHBMHPBTLFWDA-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO CC(C)[N@@H+](C1CCOCC1)[C@H]1CCN[C@@H](C)C1 ZINC001246985033 988816631 /nfs/dbraw/zinc/81/66/31/988816631.db2.gz ORVSEZFBDKAZBN-JSGCOSHPSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[N@H+](C1CCOCC1)[C@H]1CCN[C@@H](C)C1 ZINC001246985033 988816621 /nfs/dbraw/zinc/81/66/21/988816621.db2.gz ORVSEZFBDKAZBN-JSGCOSHPSA-N 1 3 240.391 2.016 20 0 BEADHO Cc1cnc2ccccc2c1NC[C@@H](C)[NH+](C)C ZINC001324394293 988826686 /nfs/dbraw/zinc/82/66/86/988826686.db2.gz WCWRBUCXTXCLFR-GFCCVEGCSA-N 1 3 243.354 2.327 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C(C)(C)C)CC1 ZINC001326880173 989756437 /nfs/dbraw/zinc/75/64/37/989756437.db2.gz WBMQFSCMQWGXQA-UHFFFAOYSA-N 1 3 233.359 2.311 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)[C@H]2C1 ZINC001308554303 991035557 /nfs/dbraw/zinc/03/55/57/991035557.db2.gz NVQJHFJYTGZLGU-QEJZJMRPSA-N 1 3 248.345 2.256 20 0 BEADHO C[C@H](Cc1ccco1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258198658 991116896 /nfs/dbraw/zinc/11/68/96/991116896.db2.gz IZXBBNPCGQMNRM-CYBMUJFWSA-N 1 3 248.370 2.238 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308984344 991237232 /nfs/dbraw/zinc/23/72/32/991237232.db2.gz HGSBODJXOVUNOB-YNEHKIRRSA-N 1 3 242.432 2.058 20 0 BEADHO C[C@@H](Cc1cccnc1)[NH2+]CCCN1CCCC1 ZINC001258609929 991533059 /nfs/dbraw/zinc/53/30/59/991533059.db2.gz YLSFRPSFVXWWTB-AWEZNQCLSA-N 1 3 247.386 2.088 20 0 BEADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1cccnc1 ZINC001258632241 991579004 /nfs/dbraw/zinc/57/90/04/991579004.db2.gz WZBRXNCNBNDSCF-AWEZNQCLSA-N 1 3 249.402 2.286 20 0 BEADHO CCC[C@@H](Cc1ccccc1)NC1(C[NH3+])CC1 ZINC001258654322 991587203 /nfs/dbraw/zinc/58/72/03/991587203.db2.gz NAUBVHXYJNLKSE-AWEZNQCLSA-N 1 3 232.371 2.479 20 0 BEADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC001320548405 992245270 /nfs/dbraw/zinc/24/52/70/992245270.db2.gz SNIOBZLGIIARIA-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001261370809 992278671 /nfs/dbraw/zinc/27/86/71/992278671.db2.gz VCIGDOPNIOYFCQ-QWRGUYRKSA-N 1 3 218.344 2.001 20 0 BEADHO C[NH2+][C@H](C)CCN[C@@H](C)CSC(C)(C)C ZINC001261423965 992295318 /nfs/dbraw/zinc/29/53/18/992295318.db2.gz JWQXYUOJQMHRRU-MNOVXSKESA-N 1 3 232.437 2.494 20 0 BEADHO FC1(F)CC[C@H](CCN[C@@H]2CCC[NH2+]C2)C1 ZINC001574227522 992823078 /nfs/dbraw/zinc/82/30/78/992823078.db2.gz URKVHTRVHUSNPY-GHMZBOCLSA-N 1 3 232.318 2.154 20 0 BEADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc[nH]1 ZINC001262364341 992861118 /nfs/dbraw/zinc/86/11/18/992861118.db2.gz UBIBHJHQWPDLRW-WODVXLOZSA-N 1 3 233.359 2.291 20 0 BEADHO CC(C)(CN)C[NH+]1CCC(CCF)CC1 ZINC001575314899 993008399 /nfs/dbraw/zinc/00/83/99/993008399.db2.gz BRXGAOLOCONBGD-UHFFFAOYSA-N 1 3 216.344 2.043 20 0 BEADHO CC(C)(CN)C[N@@H+]1CCSC2(CCC2)CC1 ZINC001575315722 993011121 /nfs/dbraw/zinc/01/11/21/993011121.db2.gz WSUQWPVMOGNSBT-UHFFFAOYSA-N 1 3 242.432 2.333 20 0 BEADHO CC(C)(CN)C[N@H+]1CCSC2(CCC2)CC1 ZINC001575315722 993011126 /nfs/dbraw/zinc/01/11/26/993011126.db2.gz WSUQWPVMOGNSBT-UHFFFAOYSA-N 1 3 242.432 2.333 20 0 BEADHO CC(C)[C@@H](CN)C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC001575422907 993033866 /nfs/dbraw/zinc/03/38/66/993033866.db2.gz OFXSFZYJSWVVCJ-UWVGGRQHSA-N 1 3 234.334 2.098 20 0 BEADHO CC(C)COc1ccccc1CNC/C=C/C[NH3+] ZINC001575617865 993083201 /nfs/dbraw/zinc/08/32/01/993083201.db2.gz UVRNOIPGXCMRSS-AATRIKPKSA-N 1 3 248.370 2.326 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC000378665198 993199424 /nfs/dbraw/zinc/19/94/24/993199424.db2.gz FQECACHFXDOELQ-FRRDWIJNSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC000378665198 993199430 /nfs/dbraw/zinc/19/94/30/993199430.db2.gz FQECACHFXDOELQ-FRRDWIJNSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H](N)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001576160113 993200213 /nfs/dbraw/zinc/20/02/13/993200213.db2.gz XZNHUTJBFINNNY-VIFPVBQESA-N 1 3 246.276 2.228 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCCC1)C1CNC1 ZINC001576245326 993230135 /nfs/dbraw/zinc/23/01/35/993230135.db2.gz OPDKJEARWLAXRG-JKOKRWQUSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@@H](N)C1)[C@@H]1C[C@H]1c1cccs1 ZINC001576251373 993232315 /nfs/dbraw/zinc/23/23/15/993232315.db2.gz LPTMWEDKVLULBH-LDMBFOFVSA-N 1 3 236.384 2.319 20 0 BEADHO C[C@@H](N[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[C@H]1c1cccs1 ZINC001576251373 993232325 /nfs/dbraw/zinc/23/23/25/993232325.db2.gz LPTMWEDKVLULBH-LDMBFOFVSA-N 1 3 236.384 2.319 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC001576252805 993233718 /nfs/dbraw/zinc/23/37/18/993233718.db2.gz TZXOBTRFCQTNRF-JCBPEIEWSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CN)C2)C[C@H](C)O1 ZINC000379928235 993297377 /nfs/dbraw/zinc/29/73/77/993297377.db2.gz TVMHHFDHKHFVSX-XJFOESAGSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CN)C2)C[C@H](C)O1 ZINC000379928235 993297382 /nfs/dbraw/zinc/29/73/82/993297382.db2.gz TVMHHFDHKHFVSX-XJFOESAGSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1C[C@@H](CC[NH2+]CC(C)(C)CN)C[C@H](C)O1 ZINC001576599860 993362607 /nfs/dbraw/zinc/36/26/07/993362607.db2.gz VYKOLVVETDXNML-CLLJXQQHSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CNCC2(C)C)C1 ZINC001576678716 993390447 /nfs/dbraw/zinc/39/04/47/993390447.db2.gz OJXYCZHRLQUHSU-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CNCC2(C)C)C1 ZINC001576678714 993392204 /nfs/dbraw/zinc/39/22/04/993392204.db2.gz OJXYCZHRLQUHSU-AGIUHOORSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877407 993430309 /nfs/dbraw/zinc/43/03/09/993430309.db2.gz NMNXCDDLJRNACS-IGQOVBAYSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877407 993430311 /nfs/dbraw/zinc/43/03/11/993430311.db2.gz NMNXCDDLJRNACS-IGQOVBAYSA-N 1 3 222.376 2.249 20 0 BEADHO N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000382302649 993447233 /nfs/dbraw/zinc/44/72/33/993447233.db2.gz NVFPKRRBQBNHPH-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000382302649 993447238 /nfs/dbraw/zinc/44/72/38/993447238.db2.gz NVFPKRRBQBNHPH-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H](N)[C@H]1C ZINC000383465398 993493066 /nfs/dbraw/zinc/49/30/66/993493066.db2.gz NTXQLGYJPFIGHS-JTNHKYCSSA-N 1 3 236.334 2.178 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](N)[C@H]1C ZINC000383465398 993493070 /nfs/dbraw/zinc/49/30/70/993493070.db2.gz NTXQLGYJPFIGHS-JTNHKYCSSA-N 1 3 236.334 2.178 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2occc2c1 ZINC001577124430 993513123 /nfs/dbraw/zinc/51/31/23/993513123.db2.gz AKXIXWYTSHOYGY-GFCCVEGCSA-N 1 3 218.300 2.260 20 0 BEADHO Cc1cccc(C[N@H+]2CCNC[C@@H](C)C2)c1C ZINC000385170638 993651291 /nfs/dbraw/zinc/65/12/91/993651291.db2.gz FRFXGLKYLQOONW-GFCCVEGCSA-N 1 3 232.371 2.345 20 0 BEADHO Cc1cccc(C[N@@H+]2CCNC[C@@H](C)C2)c1C ZINC000385170638 993651298 /nfs/dbraw/zinc/65/12/98/993651298.db2.gz FRFXGLKYLQOONW-GFCCVEGCSA-N 1 3 232.371 2.345 20 0 BEADHO COc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC000386498473 993687238 /nfs/dbraw/zinc/68/72/38/993687238.db2.gz YRHCEPSOMOTCAM-CQSZACIVSA-N 1 3 248.370 2.256 20 0 BEADHO [NH3+][C@@H]1CCCN(CCCc2ccccc2)CC1 ZINC000393181013 993909126 /nfs/dbraw/zinc/90/91/26/993909126.db2.gz BUHYVEYYJDCCCG-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@H]1C[C@@H](N2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795778 994051053 /nfs/dbraw/zinc/05/10/53/994051053.db2.gz CHWSYCCGNRHLSC-QWRGUYRKSA-N 1 3 232.318 2.248 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC000821987774 994417737 /nfs/dbraw/zinc/41/77/37/994417737.db2.gz GOPKLBLPXNWZQL-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC34CCC4)[C@H]2C1 ZINC001621570237 1170855182 /nfs/dbraw/zinc/85/51/82/1170855182.db2.gz NZOXIQQEMNPGEH-XUXIUFHCSA-N 1 3 234.387 2.249 20 0 BEADHO C1CC[C@H]2CCCN([C@@H]3CCC[NH2+]C3)[C@@H]2C1 ZINC000036827152 1170917813 /nfs/dbraw/zinc/91/78/13/1170917813.db2.gz HBTGAYJPEGRVRI-BFHYXJOUSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@H](C)C1 ZINC000051732102 1171912657 /nfs/dbraw/zinc/91/26/57/1171912657.db2.gz BFYJIJXBFFTRQB-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@H](C)C1 ZINC000051732102 1171912667 /nfs/dbraw/zinc/91/26/67/1171912667.db2.gz BFYJIJXBFFTRQB-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CC1 ZINC000161703496 538917550 /nfs/dbraw/zinc/91/75/50/538917550.db2.gz PFODZOTXPQGLFC-KBPBESRZSA-N 1 3 222.376 2.393 20 0 BEADHO C(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CC1 ZINC000161703496 538917552 /nfs/dbraw/zinc/91/75/52/538917552.db2.gz PFODZOTXPQGLFC-KBPBESRZSA-N 1 3 222.376 2.393 20 0 BEADHO C(C[NH2+][C@H]1CCN2CCC[C@H]2C1)CC1CC1 ZINC000161703496 538917554 /nfs/dbraw/zinc/91/75/54/538917554.db2.gz PFODZOTXPQGLFC-KBPBESRZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](Cc1ccsc1)NCCC[NH2+]C1CC1 ZINC000382548221 398183734 /nfs/dbraw/zinc/18/37/34/398183734.db2.gz QWZOHHNVLSJIHF-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+]CCCNC1CC1 ZINC000382548221 398183737 /nfs/dbraw/zinc/18/37/37/398183737.db2.gz QWZOHHNVLSJIHF-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000423021291 398161984 /nfs/dbraw/zinc/16/19/84/398161984.db2.gz BPAJCQQKFLNXGJ-ZWNOBZJWSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)(C)C)C1CNC1 ZINC000423174439 398164043 /nfs/dbraw/zinc/16/40/43/398164043.db2.gz CDKRGHHHZZIYQW-DRZSPHRISA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H]([NH2+]CC1(N)CCC1)c1ccncc1 ZINC000423327146 398166432 /nfs/dbraw/zinc/16/64/32/398166432.db2.gz LFFJPBLMUJMCFQ-GFCCVEGCSA-N 1 3 219.332 2.004 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)[C@H]1C ZINC000252111298 398185537 /nfs/dbraw/zinc/18/55/37/398185537.db2.gz HUHIKYFQIDCGHS-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)[C@H]1C ZINC000252111298 398185538 /nfs/dbraw/zinc/18/55/38/398185538.db2.gz HUHIKYFQIDCGHS-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C1CC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000250806166 187331123 /nfs/dbraw/zinc/33/11/23/187331123.db2.gz CNGPJEIAUDUBLH-BFHYXJOUSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000584242207 398221554 /nfs/dbraw/zinc/22/15/54/398221554.db2.gz KYONCADIZWHUNZ-ZIAGYGMSSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)c1cccnc1 ZINC000584242207 398221555 /nfs/dbraw/zinc/22/15/55/398221555.db2.gz KYONCADIZWHUNZ-ZIAGYGMSSA-N 1 3 247.386 2.219 20 0 BEADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000162099222 349564726 /nfs/dbraw/zinc/56/47/26/349564726.db2.gz WGUJUCNFUCPKTN-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000162099222 349564728 /nfs/dbraw/zinc/56/47/28/349564728.db2.gz WGUJUCNFUCPKTN-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251282455 398268554 /nfs/dbraw/zinc/26/85/54/398268554.db2.gz DPVZYFJCQRJZFN-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCCC(C)C)C1 ZINC000165428657 361841097 /nfs/dbraw/zinc/84/10/97/361841097.db2.gz QGKRRZMQHPDMKR-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000165715490 361844146 /nfs/dbraw/zinc/84/41/46/361844146.db2.gz CERARHALVOMXKN-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO CC1(C)CCCC[C@H]1[NH2+]C[C@@H]1CCCN1 ZINC000232768148 342880063 /nfs/dbraw/zinc/88/00/63/342880063.db2.gz PTYCVMPRCWFVKD-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000562364347 323017830 /nfs/dbraw/zinc/01/78/30/323017830.db2.gz SQKFYFVGYDEUSL-CYBMUJFWSA-N 1 3 222.376 2.204 20 0 BEADHO CC1(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000562364347 323017831 /nfs/dbraw/zinc/01/78/31/323017831.db2.gz SQKFYFVGYDEUSL-CYBMUJFWSA-N 1 3 222.376 2.204 20 0 BEADHO CC1(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000562364347 323017832 /nfs/dbraw/zinc/01/78/32/323017832.db2.gz SQKFYFVGYDEUSL-CYBMUJFWSA-N 1 3 222.376 2.204 20 0 BEADHO CC1(CNC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232896468 342887135 /nfs/dbraw/zinc/88/71/35/342887135.db2.gz JXNTZRAGLKJADE-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO CC1(CNC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000232914225 342892097 /nfs/dbraw/zinc/89/20/97/342892097.db2.gz JXNTZRAGLKJADE-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO [NH3+]CCCN(CC1CCCC1)CC1(F)CC1 ZINC000564970580 398332915 /nfs/dbraw/zinc/33/29/15/398332915.db2.gz LQSPKVIYPKETOY-UHFFFAOYSA-N 1 3 228.355 2.330 20 0 BEADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000580312083 346893638 /nfs/dbraw/zinc/89/36/38/346893638.db2.gz JBZXBBDNZIAQFR-WDEREUQCSA-N 1 3 239.388 2.326 20 0 BEADHO CSC[C@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000229353135 398342766 /nfs/dbraw/zinc/34/27/66/398342766.db2.gz DJYDSQREWZXZJW-BIMULSAOSA-N 1 3 236.384 2.472 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336683719 346910944 /nfs/dbraw/zinc/91/09/44/346910944.db2.gz ZIJBGEABSBEWRO-XQQFMLRXSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336683719 346910948 /nfs/dbraw/zinc/91/09/48/346910948.db2.gz ZIJBGEABSBEWRO-XQQFMLRXSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336683719 346910951 /nfs/dbraw/zinc/91/09/51/346910951.db2.gz ZIJBGEABSBEWRO-XQQFMLRXSA-N 1 3 222.376 2.391 20 0 BEADHO CN(CC1(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309508652 259343320 /nfs/dbraw/zinc/34/33/20/259343320.db2.gz OFBSHMHADNFZJO-FOSCPWQOSA-N 1 3 208.349 2.001 20 0 BEADHO C[N@H+](CCCN)CCCCOc1ccccc1 ZINC000576823049 365695235 /nfs/dbraw/zinc/69/52/35/365695235.db2.gz MWOUEHODGIBADA-UHFFFAOYSA-N 1 3 236.359 2.126 20 0 BEADHO C[N@@H+](CCCN)CCCCOc1ccccc1 ZINC000576823049 365695240 /nfs/dbraw/zinc/69/52/40/365695240.db2.gz MWOUEHODGIBADA-UHFFFAOYSA-N 1 3 236.359 2.126 20 0 BEADHO CN(CCC[NH3+])CCCCOc1ccccc1 ZINC000576823049 365695244 /nfs/dbraw/zinc/69/52/44/365695244.db2.gz MWOUEHODGIBADA-UHFFFAOYSA-N 1 3 236.359 2.126 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000308846775 346924149 /nfs/dbraw/zinc/92/41/49/346924149.db2.gz LPLUATDLUAEKDU-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](NCCCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386593042 343078878 /nfs/dbraw/zinc/07/88/78/343078878.db2.gz RYXIFBASAVJXLA-NXEZZACHSA-N 1 3 238.297 2.449 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000236330606 343091707 /nfs/dbraw/zinc/09/17/07/343091707.db2.gz OEGYZXMAGRTABU-RYUDHWBXSA-N 1 3 208.349 2.036 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+]C1CCNCC1 ZINC000049157303 343093686 /nfs/dbraw/zinc/09/36/86/343093686.db2.gz NPWBJVZCMIOQDK-JTQLQIEISA-N 1 3 224.373 2.021 20 0 BEADHO C[C@@H](Cc1ccsc1)NC1CC[NH2+]CC1 ZINC000049157303 343093687 /nfs/dbraw/zinc/09/36/87/343093687.db2.gz NPWBJVZCMIOQDK-JTQLQIEISA-N 1 3 224.373 2.021 20 0 BEADHO CC[NH+]1CCC(CNCc2ccc(C)cn2)CC1 ZINC000127023101 343171985 /nfs/dbraw/zinc/17/19/85/343171985.db2.gz PTYGVJHSSRSSJY-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000082489406 136276603 /nfs/dbraw/zinc/27/66/03/136276603.db2.gz VBELMGPTCORLOO-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000082489406 136276604 /nfs/dbraw/zinc/27/66/04/136276604.db2.gz VBELMGPTCORLOO-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335613055 136295714 /nfs/dbraw/zinc/29/57/14/136295714.db2.gz RWLYBTLHCIWDAM-GXSJLCMTSA-N 1 3 232.318 2.009 20 0 BEADHO CC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000335654171 136306279 /nfs/dbraw/zinc/30/62/79/136306279.db2.gz LOSICHWJPNMOMU-FOSCPWQOSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000166224867 136313586 /nfs/dbraw/zinc/31/35/86/136313586.db2.gz CYYCZCKLPMETPY-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166224867 136313587 /nfs/dbraw/zinc/31/35/87/136313587.db2.gz CYYCZCKLPMETPY-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)CC[C@@H](C)NCC[NH2+]C(C)C ZINC000053388244 1172027099 /nfs/dbraw/zinc/02/70/99/1172027099.db2.gz AJGZMVNAQFXPDE-GFCCVEGCSA-N 1 3 200.370 2.399 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501529 259360484 /nfs/dbraw/zinc/36/04/84/259360484.db2.gz BHVMEHSVEQMXNE-BARDWOONSA-N 1 3 236.403 2.354 20 0 BEADHO Cn1ccc(C[N@@H+]2CCCC23CCN(C)CC3)c1 ZINC000335858184 136356148 /nfs/dbraw/zinc/35/61/48/136356148.db2.gz GRCFRYDKUGFZGN-UHFFFAOYSA-N 1 3 247.386 2.085 20 0 BEADHO Cn1ccc(C[N@H+]2CCCC23CCN(C)CC3)c1 ZINC000335858184 136356149 /nfs/dbraw/zinc/35/61/49/136356149.db2.gz GRCFRYDKUGFZGN-UHFFFAOYSA-N 1 3 247.386 2.085 20 0 BEADHO CC1=C[C@@H](C)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000335891855 136358675 /nfs/dbraw/zinc/35/86/75/136358675.db2.gz AYVKIMNBQWTOCX-OCCSQVGLSA-N 1 3 222.376 2.369 20 0 BEADHO CC1=C[C@@H](C)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000335891855 136358676 /nfs/dbraw/zinc/35/86/76/136358676.db2.gz AYVKIMNBQWTOCX-OCCSQVGLSA-N 1 3 222.376 2.369 20 0 BEADHO C[C@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000350953507 136366196 /nfs/dbraw/zinc/36/61/96/136366196.db2.gz WJKJJDLJILHVEZ-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO NCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000082867543 343469636 /nfs/dbraw/zinc/46/96/36/343469636.db2.gz WSDAYVFMVYGMOS-UHFFFAOYSA-N 1 3 224.270 2.046 20 0 BEADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000577054380 365794967 /nfs/dbraw/zinc/79/49/67/365794967.db2.gz GASLCIZQOCQJLO-NWDGAFQWSA-N 1 3 210.365 2.140 20 0 BEADHO Cc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1C ZINC000011888397 343771990 /nfs/dbraw/zinc/77/19/90/343771990.db2.gz REGJVJJCHLELIF-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)CN1CCCC1 ZINC000336650622 537818422 /nfs/dbraw/zinc/81/84/22/537818422.db2.gz DTUXKSVRIRVOSE-ZIAGYGMSSA-N 1 3 222.376 2.251 20 0 BEADHO CCSCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000159072718 347009280 /nfs/dbraw/zinc/00/92/80/347009280.db2.gz IVAVKVLVWCGJDV-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CCC[N@H+](Cc1ccnc(C)c1)C1CCNCC1 ZINC000621775047 343898178 /nfs/dbraw/zinc/89/81/78/343898178.db2.gz DVQAVXKAQWQVMS-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CCC[N@@H+](Cc1ccnc(C)c1)C1CCNCC1 ZINC000621775047 343898179 /nfs/dbraw/zinc/89/81/79/343898179.db2.gz DVQAVXKAQWQVMS-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CC1CC([NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000634733291 344113258 /nfs/dbraw/zinc/11/32/58/344113258.db2.gz BZEIFROIUBPMCU-MOENNCHZSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000634733549 344113850 /nfs/dbraw/zinc/11/38/50/344113850.db2.gz IFRUGNZJBBGVSD-NEPJUHHUSA-N 1 3 242.432 2.107 20 0 BEADHO CCC[C@H](CNC[C@H]1CC[N@@H+](C(C)C)C1)OC ZINC000395209470 362348466 /nfs/dbraw/zinc/34/84/66/362348466.db2.gz UYAVHCMSMASGMU-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@H](CNC[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209470 362348472 /nfs/dbraw/zinc/34/84/72/362348472.db2.gz UYAVHCMSMASGMU-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@H](C[NH2+]C[C@H]1CCN(C(C)C)C1)OC ZINC000395209470 362348478 /nfs/dbraw/zinc/34/84/78/362348478.db2.gz UYAVHCMSMASGMU-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1ccc(C)c(C[N@@H+](C)C2CCNCC2)c1 ZINC000049257373 187357738 /nfs/dbraw/zinc/35/77/38/187357738.db2.gz ACLNYRWOEXBFLA-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@H+](C)C2CCNCC2)c1 ZINC000049257373 187357740 /nfs/dbraw/zinc/35/77/40/187357740.db2.gz ACLNYRWOEXBFLA-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO C/C=C/CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000384745575 344088035 /nfs/dbraw/zinc/08/80/35/344088035.db2.gz MWDYVSKAGUIYEJ-CLQVMCNMSA-N 1 3 222.376 2.463 20 0 BEADHO C/C=C\CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000384745577 344088176 /nfs/dbraw/zinc/08/81/76/344088176.db2.gz MWDYVSKAGUIYEJ-JRWPOKQRSA-N 1 3 222.376 2.463 20 0 BEADHO C/C=C\CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000384745574 344088206 /nfs/dbraw/zinc/08/82/06/344088206.db2.gz MWDYVSKAGUIYEJ-BIGZAMJYSA-N 1 3 222.376 2.463 20 0 BEADHO CCN(CC)CCC[NH+](C1CC1)C1CC1 ZINC000625841323 344095012 /nfs/dbraw/zinc/09/50/12/344095012.db2.gz HJCHRRRHDHUIAI-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO CCc1cnc(CN[C@H](C)CCCC[NH3+])s1 ZINC000309309356 347029768 /nfs/dbraw/zinc/02/97/68/347029768.db2.gz DTQDKBRFRRIOFZ-SNVBAGLBSA-N 1 3 241.404 2.313 20 0 BEADHO CC(C)CCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622003957 344181289 /nfs/dbraw/zinc/18/12/89/344181289.db2.gz IGJPUIZTOJRVPK-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000093215834 344312682 /nfs/dbraw/zinc/31/26/82/344312682.db2.gz GDUJXRCULGPZLB-ZIAGYGMSSA-N 1 3 248.370 2.315 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCCOc2ccccc2)C1 ZINC000093215834 344312685 /nfs/dbraw/zinc/31/26/85/344312685.db2.gz GDUJXRCULGPZLB-ZIAGYGMSSA-N 1 3 248.370 2.315 20 0 BEADHO Cc1cccc(OCCN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093215586 344312700 /nfs/dbraw/zinc/31/27/00/344312700.db2.gz FPEWPCMBEIEHRL-KBPBESRZSA-N 1 3 248.370 2.233 20 0 BEADHO Cc1cccc(OCCN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093215585 344312802 /nfs/dbraw/zinc/31/28/02/344312802.db2.gz FPEWPCMBEIEHRL-UONOGXRCSA-N 1 3 248.370 2.233 20 0 BEADHO CC(C)[C@H](N)CC[N@H+](C)CC1CCCC1 ZINC000133307456 344317839 /nfs/dbraw/zinc/31/78/39/344317839.db2.gz KJKONOVXQWRLKX-CYBMUJFWSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@H](N)CC[N@@H+](C)CC1CCCC1 ZINC000133307456 344317840 /nfs/dbraw/zinc/31/78/40/344317840.db2.gz KJKONOVXQWRLKX-CYBMUJFWSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CC1CCCC1 ZINC000133307456 344317841 /nfs/dbraw/zinc/31/78/41/344317841.db2.gz KJKONOVXQWRLKX-CYBMUJFWSA-N 1 3 212.381 2.482 20 0 BEADHO CSCC1CCC([NH2+][C@@H]2CCN[C@H]2C)CC1 ZINC000600714940 344365542 /nfs/dbraw/zinc/36/55/42/344365542.db2.gz VRXSAPYBQMSWOQ-YWPUVAFDSA-N 1 3 242.432 2.248 20 0 BEADHO CC(C)N(CCC[NH3+])Cc1cccs1 ZINC000042517639 344456513 /nfs/dbraw/zinc/45/65/13/344456513.db2.gz FQSOKNXYJHXKRN-UHFFFAOYSA-N 1 3 212.362 2.307 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCF ZINC000389331100 344459885 /nfs/dbraw/zinc/45/98/85/344459885.db2.gz LSBQSZKBCBJWRI-VXGBXAGGSA-N 1 3 216.344 2.246 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000251368146 187359120 /nfs/dbraw/zinc/35/91/20/187359120.db2.gz FNLXSRQDEQGQDY-QWHCGFSZSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000251368146 187359121 /nfs/dbraw/zinc/35/91/21/187359121.db2.gz FNLXSRQDEQGQDY-QWHCGFSZSA-N 1 3 210.365 2.106 20 0 BEADHO CSC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCC1 ZINC000235120285 344801802 /nfs/dbraw/zinc/80/18/02/344801802.db2.gz NIZILLLCRWFDHJ-QWRGUYRKSA-N 1 3 228.405 2.132 20 0 BEADHO CO[C@H]1CCC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000234796383 537875479 /nfs/dbraw/zinc/87/54/79/537875479.db2.gz YZCYVKTWFCDCSX-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)CN(C)C ZINC000311073058 344917990 /nfs/dbraw/zinc/91/79/90/344917990.db2.gz DIZOZOUPOSDVQM-GFCCVEGCSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)CN(C)C ZINC000311073070 344918431 /nfs/dbraw/zinc/91/84/31/344918431.db2.gz DIZOZOUPOSDVQM-LBPRGKRZSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1ccc(CC[NH2+]CC23CC(C2)CN3)c(C)c1 ZINC000634995598 345185257 /nfs/dbraw/zinc/18/52/57/345185257.db2.gz KAEQINSDRPMCCS-UHFFFAOYSA-N 1 3 244.382 2.188 20 0 BEADHO CC(C)[C@H](C[NH3+])CN[C@H]1CCc2cc(N)ccc21 ZINC000634996698 345191097 /nfs/dbraw/zinc/19/10/97/345191097.db2.gz QZRWXRZUGHGERL-DOMZBBRYSA-N 1 3 247.386 2.077 20 0 BEADHO CC(C)[C@H](CN)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000634996698 345191098 /nfs/dbraw/zinc/19/10/98/345191098.db2.gz QZRWXRZUGHGERL-DOMZBBRYSA-N 1 3 247.386 2.077 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000634997015 345194250 /nfs/dbraw/zinc/19/42/50/345194250.db2.gz BCVLGXNBMHOFKJ-WOPDTQHZSA-N 1 3 208.349 2.179 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999615 345200130 /nfs/dbraw/zinc/20/01/30/345200130.db2.gz WZXDXGJGOXAFRM-IIAWOOMASA-N 1 3 246.398 2.392 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999615 345200131 /nfs/dbraw/zinc/20/01/31/345200131.db2.gz WZXDXGJGOXAFRM-IIAWOOMASA-N 1 3 246.398 2.392 20 0 BEADHO CCOc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634999899 345202006 /nfs/dbraw/zinc/20/20/06/345202006.db2.gz BWSUAAWMLIYNOP-GXTWGEPZSA-N 1 3 248.370 2.112 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004315 345207844 /nfs/dbraw/zinc/20/78/44/345207844.db2.gz OGBBHHGKVYFOSK-SRVKXCTJSA-N 1 3 208.349 2.036 20 0 BEADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000635004817 345208512 /nfs/dbraw/zinc/20/85/12/345208512.db2.gz GMGQHVXCCLUUIS-IJLUTSLNSA-N 1 3 222.332 2.448 20 0 BEADHO C[C@H]([NH2+]CC[C@@H](N)Cc1ccccc1)C1CC1 ZINC000635004675 345208595 /nfs/dbraw/zinc/20/85/95/345208595.db2.gz JWNZMHJFOVRCMR-SWLSCSKDSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004856 345208756 /nfs/dbraw/zinc/20/87/56/345208756.db2.gz QKHONVYSVKKMBT-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO Cc1cc([C@@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)no1 ZINC000635005862 345209585 /nfs/dbraw/zinc/20/95/85/345209585.db2.gz PSPMCGKTTYFXFK-IJLUTSLNSA-N 1 3 237.347 2.151 20 0 BEADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1nccs1 ZINC000635006771 345211247 /nfs/dbraw/zinc/21/12/47/345211247.db2.gz NMYFGMGBZZKWDV-DCAQKATOSA-N 1 3 239.388 2.311 20 0 BEADHO COCCC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635010540 345212876 /nfs/dbraw/zinc/21/28/76/345212876.db2.gz KCJPBQAVPDBFGF-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)[C@H]1C ZINC000635012814 345215260 /nfs/dbraw/zinc/21/52/60/345215260.db2.gz VRALVHLNUMUFHX-XQHKEYJVSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1scc(C[NH2+][C@@H]2CCC[C@@H]2N)c1C ZINC000635023078 345222180 /nfs/dbraw/zinc/22/21/80/345222180.db2.gz RMOMIWCSEQCUQT-NWDGAFQWSA-N 1 3 224.373 2.334 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158949384 345391224 /nfs/dbraw/zinc/39/12/24/345391224.db2.gz MHCFSHBGKBZWGZ-BFHYXJOUSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158949384 345391227 /nfs/dbraw/zinc/39/12/27/345391227.db2.gz MHCFSHBGKBZWGZ-BFHYXJOUSA-N 1 3 224.392 2.449 20 0 BEADHO C(CC1CCCC1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309588476 187309244 /nfs/dbraw/zinc/30/92/44/187309244.db2.gz XLQHNOFTEHLHMD-ZIAGYGMSSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@H]1CCN(CCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000137675598 345685502 /nfs/dbraw/zinc/68/55/02/345685502.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]1CCN(CCC[N@H+]2CC[C@H](C)C2)C1 ZINC000137675598 345685505 /nfs/dbraw/zinc/68/55/05/345685505.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCN2CC[C@H](C)C2)C1 ZINC000137675598 345685507 /nfs/dbraw/zinc/68/55/07/345685507.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]1CC[N@H+](CCCN2CC[C@H](C)C2)C1 ZINC000137675598 345685509 /nfs/dbraw/zinc/68/55/09/345685509.db2.gz JSFSIQWVRIGBLS-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000223052378 345748116 /nfs/dbraw/zinc/74/81/16/345748116.db2.gz LKMVYXQPYRKHDN-AAEUAGOBSA-N 1 3 206.333 2.383 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccccc1C ZINC000231443712 345752778 /nfs/dbraw/zinc/75/27/78/345752778.db2.gz ARGMJVRECRQJAU-NWDGAFQWSA-N 1 3 206.333 2.383 20 0 BEADHO CCCCOCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000160195552 345813156 /nfs/dbraw/zinc/81/31/56/345813156.db2.gz CKBMTGPZEUQJNU-UONOGXRCSA-N 1 3 242.407 2.300 20 0 BEADHO Cc1cccc(C)c1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278931049 179036215 /nfs/dbraw/zinc/03/62/15/179036215.db2.gz WIEUCEHKAJZQCK-GASCZTMLSA-N 1 3 244.382 2.297 20 0 BEADHO Cc1cccc(C)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278931049 179036216 /nfs/dbraw/zinc/03/62/16/179036216.db2.gz WIEUCEHKAJZQCK-GASCZTMLSA-N 1 3 244.382 2.297 20 0 BEADHO CC[NH+](CC)CC[C@H](CO)NC1CCCCC1 ZINC000641771559 362709945 /nfs/dbraw/zinc/70/99/45/362709945.db2.gz IZHNIMTUPQTUJI-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO Cc1cccc(CC[NH2+]C[C@@H]2CCCNC2)c1 ZINC000132242617 179058590 /nfs/dbraw/zinc/05/85/90/179058590.db2.gz USSOTPDCZPUDTC-OAHLLOKOSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1cccc(CCNC[C@@H]2CCC[NH2+]C2)c1 ZINC000132242617 179058592 /nfs/dbraw/zinc/05/85/92/179058592.db2.gz USSOTPDCZPUDTC-OAHLLOKOSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1cccc(C[N@@H+]2CCCNCC2)c1C ZINC000043315854 179075009 /nfs/dbraw/zinc/07/50/09/179075009.db2.gz AFRZLNYYIHLJHA-UHFFFAOYSA-N 1 3 218.344 2.099 20 0 BEADHO Cc1cccc(C[N@H+]2CCCNCC2)c1C ZINC000043315854 179075010 /nfs/dbraw/zinc/07/50/10/179075010.db2.gz AFRZLNYYIHLJHA-UHFFFAOYSA-N 1 3 218.344 2.099 20 0 BEADHO Cc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000011888318 179074397 /nfs/dbraw/zinc/07/43/97/179074397.db2.gz CBHXHESECXQGEL-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163424988 179080985 /nfs/dbraw/zinc/08/09/85/179080985.db2.gz PZQZIZURPBSUOU-DZGCQCFKSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](CN)C[C@H]2C)c1C ZINC000228066891 179081387 /nfs/dbraw/zinc/08/13/87/179081387.db2.gz USOJHFQEAMHYFS-TZMCWYRMSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)c1C ZINC000228066891 179081389 /nfs/dbraw/zinc/08/13/89/179081389.db2.gz USOJHFQEAMHYFS-TZMCWYRMSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1C ZINC000227054624 179081603 /nfs/dbraw/zinc/08/16/03/179081603.db2.gz NAHHXYBJRFSNQO-WFASDCNBSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)CN(C)C ZINC000394829903 346426470 /nfs/dbraw/zinc/42/64/70/346426470.db2.gz TUVDINLIAAGHMB-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)CCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622003471 370653970 /nfs/dbraw/zinc/65/39/70/370653970.db2.gz AGMNJRNFQMNLGX-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cccc([C@@H](C)[N@@H+]2CCCNCC2)c1 ZINC000022101205 179179261 /nfs/dbraw/zinc/17/92/61/179179261.db2.gz KNFNMFICEFUASK-CYBMUJFWSA-N 1 3 218.344 2.351 20 0 BEADHO Cc1cccc([C@@H](C)[N@H+]2CCCNCC2)c1 ZINC000022101205 179179262 /nfs/dbraw/zinc/17/92/62/179179262.db2.gz KNFNMFICEFUASK-CYBMUJFWSA-N 1 3 218.344 2.351 20 0 BEADHO Cc1cccc([C@H](C)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000203597028 179194964 /nfs/dbraw/zinc/19/49/64/179194964.db2.gz XBPHPELGIVYRHC-AEGPPILISA-N 1 3 230.355 2.207 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000577214408 365883481 /nfs/dbraw/zinc/88/34/81/365883481.db2.gz NBBFFGYFCBTARP-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000577214411 365883526 /nfs/dbraw/zinc/88/35/26/365883526.db2.gz NBBFFGYFCBTARP-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000577214410 365883562 /nfs/dbraw/zinc/88/35/62/365883562.db2.gz NBBFFGYFCBTARP-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000094182724 179267066 /nfs/dbraw/zinc/26/70/66/179267066.db2.gz KSNYARNHFBWAAD-HUUCEWRRSA-N 1 3 232.371 2.255 20 0 BEADHO Cc1ccccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000235794753 179276172 /nfs/dbraw/zinc/27/61/72/179276172.db2.gz RFWDTOXZWHSJPY-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccccc1C[N@@H+]1CC[C@](C)(CN)C1 ZINC000235794753 179276175 /nfs/dbraw/zinc/27/61/75/179276175.db2.gz RFWDTOXZWHSJPY-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccccc1C[N@H+]1CC[C@](C)(CN)C1 ZINC000235794753 179276178 /nfs/dbraw/zinc/27/61/78/179276178.db2.gz RFWDTOXZWHSJPY-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228201702 179276227 /nfs/dbraw/zinc/27/62/27/179276227.db2.gz HXBYFTYRGJLPQR-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1CNC1CC[NH+](C)CC1 ZINC000037248608 179281655 /nfs/dbraw/zinc/28/16/55/179281655.db2.gz LOVONWFZUOSEMX-UHFFFAOYSA-N 1 3 218.344 2.179 20 0 BEADHO Cc1ccccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994567 179277234 /nfs/dbraw/zinc/27/72/34/179277234.db2.gz WZCRCJHCLXTUJJ-OAHLLOKOSA-N 1 3 230.355 2.180 20 0 BEADHO Cc1nc(C)c([C@H](C)NC[C@@H](C)C[NH3+])s1 ZINC000054345897 347771306 /nfs/dbraw/zinc/77/13/06/347771306.db2.gz YSEXKBLJRHFAAW-YUMQZZPRSA-N 1 3 227.377 2.005 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000334866459 179282809 /nfs/dbraw/zinc/28/28/09/179282809.db2.gz WNJMFFPKSNPTAV-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)CN ZINC000309396114 179290723 /nfs/dbraw/zinc/29/07/23/179290723.db2.gz UMINDUQADLDYRK-YPMHNXCESA-N 1 3 220.360 2.110 20 0 BEADHO CCS[C@H]1CCCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000592477065 347791302 /nfs/dbraw/zinc/79/13/02/347791302.db2.gz QYLYNUMHGZSOEE-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO Cc1ccc(CNCCC[NH+]2CCC2)cc1C ZINC000535047202 323164430 /nfs/dbraw/zinc/16/44/30/323164430.db2.gz ATKFABZXXAQFEY-UHFFFAOYSA-N 1 3 232.371 2.489 20 0 BEADHO Cc1ccccc1[C@H](C)[NH2+]C1CCNCC1 ZINC000038040667 179337205 /nfs/dbraw/zinc/33/72/05/179337205.db2.gz YSNQMYYHAARRGH-LBPRGKRZSA-N 1 3 218.344 2.398 20 0 BEADHO NCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000202728526 348043891 /nfs/dbraw/zinc/04/38/91/348043891.db2.gz JWZCYSNNROAHDN-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO NCCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000202728526 348043892 /nfs/dbraw/zinc/04/38/92/348043892.db2.gz JWZCYSNNROAHDN-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO [NH3+]CCCN1CCCC[C@@H]1Cc1ccccc1 ZINC000202728526 348043893 /nfs/dbraw/zinc/04/38/93/348043893.db2.gz JWZCYSNNROAHDN-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO CC1(C)CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000129585854 490152939 /nfs/dbraw/zinc/15/29/39/490152939.db2.gz XMPDXDDOKXFROX-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000253117812 349224614 /nfs/dbraw/zinc/22/46/14/349224614.db2.gz GUBGSODFOXBQMU-ZDEQEGDKSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000388634453 349279285 /nfs/dbraw/zinc/27/92/85/349279285.db2.gz MEHMUEDDJOQREN-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1c(F)cccc1F ZINC000422692611 192432574 /nfs/dbraw/zinc/43/25/74/192432574.db2.gz KLHXHAFAZMADKS-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO COCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000218631352 350098238 /nfs/dbraw/zinc/09/82/38/350098238.db2.gz XFELAOGTECLDIA-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000306073406 191074056 /nfs/dbraw/zinc/07/40/56/191074056.db2.gz DNFJOCUWIWKGKC-ZQNQSHIBSA-N 1 3 234.387 2.391 20 0 BEADHO CCC[C@@H](NC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000324929725 323306345 /nfs/dbraw/zinc/30/63/45/323306345.db2.gz NHHWMVXWFBSPLD-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCC1 ZINC000324929725 323306348 /nfs/dbraw/zinc/30/63/48/323306348.db2.gz NHHWMVXWFBSPLD-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422758140 192456691 /nfs/dbraw/zinc/45/66/91/192456691.db2.gz NNQYTFCWTWQVHJ-VXGBXAGGSA-N 1 3 230.421 2.107 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623535258 362953534 /nfs/dbraw/zinc/95/35/34/362953534.db2.gz SARGAMSPGZTZGI-CHWSQXEVSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535258 362953540 /nfs/dbraw/zinc/95/35/40/362953540.db2.gz SARGAMSPGZTZGI-CHWSQXEVSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623535259 362954509 /nfs/dbraw/zinc/95/45/09/362954509.db2.gz SARGAMSPGZTZGI-OLZOCXBDSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535259 362954512 /nfs/dbraw/zinc/95/45/12/362954512.db2.gz SARGAMSPGZTZGI-OLZOCXBDSA-N 1 3 242.407 2.264 20 0 BEADHO CC/C=C/CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538164 362956712 /nfs/dbraw/zinc/95/67/12/362956712.db2.gz YZOKCZUGVQIUDG-SYTKJHMZSA-N 1 3 210.365 2.415 20 0 BEADHO CC/C=C/CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538164 362956717 /nfs/dbraw/zinc/95/67/17/362956717.db2.gz YZOKCZUGVQIUDG-SYTKJHMZSA-N 1 3 210.365 2.415 20 0 BEADHO COc1cccc2c1CCC[C@H]2NC[C@H](C)C[NH3+] ZINC000577482268 365964042 /nfs/dbraw/zinc/96/40/42/365964042.db2.gz YTSBFUCZKATLBP-BXUZGUMPSA-N 1 3 248.370 2.257 20 0 BEADHO CC1(C)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000061820112 350527692 /nfs/dbraw/zinc/52/76/92/350527692.db2.gz PWMKNYUHMNVLTR-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)COC(C)C)C1 ZINC000337308026 350571936 /nfs/dbraw/zinc/57/19/36/350571936.db2.gz SSIFMHYNRPMPMM-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CCC[C@H](CN[C@H](C)COC(C)C)C1 ZINC000337308026 350571939 /nfs/dbraw/zinc/57/19/39/350571939.db2.gz SSIFMHYNRPMPMM-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)COC(C)C)C1 ZINC000337308025 350572079 /nfs/dbraw/zinc/57/20/79/350572079.db2.gz SSIFMHYNRPMPMM-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)COC(C)C)C1 ZINC000337308025 350572082 /nfs/dbraw/zinc/57/20/82/350572082.db2.gz SSIFMHYNRPMPMM-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C1CNC1 ZINC000422796285 192471774 /nfs/dbraw/zinc/47/17/74/192471774.db2.gz YCHCPNNDFGWCME-FMCLSXCISA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc2c1CCNC2)C1CC1 ZINC000398039485 362990937 /nfs/dbraw/zinc/99/09/37/362990937.db2.gz KLNIHXWGZDOVRD-LLVKDONJSA-N 1 3 230.355 2.220 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)C1CCCCCC1 ZINC000088163116 351672606 /nfs/dbraw/zinc/67/26/06/351672606.db2.gz DIOBXSJRNXCDBG-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CCOc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414792635 351772331 /nfs/dbraw/zinc/77/23/31/351772331.db2.gz JERIWOHEYXIKJZ-DZGCQCFKSA-N 1 3 248.370 2.302 20 0 BEADHO CCC[C@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637930617 351806639 /nfs/dbraw/zinc/80/66/39/351806639.db2.gz QGJLDQRSKIHSCS-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637930617 351806644 /nfs/dbraw/zinc/80/66/44/351806644.db2.gz QGJLDQRSKIHSCS-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](CN1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000638131879 352001903 /nfs/dbraw/zinc/00/19/03/352001903.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](CN1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000638131879 352001907 /nfs/dbraw/zinc/00/19/07/352001907.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](C[N@@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000638131879 352001910 /nfs/dbraw/zinc/00/19/10/352001910.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](C[N@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000638131879 352001912 /nfs/dbraw/zinc/00/19/12/352001912.db2.gz FDSXJYKNRHGNFJ-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CN1CCCC1 ZINC000638387822 352197177 /nfs/dbraw/zinc/19/71/77/352197177.db2.gz YGIPMPIYUAXIQF-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CC1(F)F ZINC000638377106 352188688 /nfs/dbraw/zinc/18/86/88/352188688.db2.gz NHZOOZHKGNMECT-USZNOCQGSA-N 1 3 244.329 2.247 20 0 BEADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC1(F)F ZINC000638377106 352188692 /nfs/dbraw/zinc/18/86/92/352188692.db2.gz NHZOOZHKGNMECT-USZNOCQGSA-N 1 3 244.329 2.247 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638408452 352215008 /nfs/dbraw/zinc/21/50/08/352215008.db2.gz BBOPGDHXXBXYLV-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@@H+]1CC[C@H](CNC[C@@](C)(CC)OC)C1 ZINC000638408452 352215009 /nfs/dbraw/zinc/21/50/09/352215009.db2.gz BBOPGDHXXBXYLV-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@H+]1CC[C@H](CNC[C@@](C)(CC)OC)C1 ZINC000638408452 352215011 /nfs/dbraw/zinc/21/50/11/352215011.db2.gz BBOPGDHXXBXYLV-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CSc1ccccc1C[C@H](C)N[C@H](C)C[NH3+] ZINC000414933603 352341356 /nfs/dbraw/zinc/34/13/56/352341356.db2.gz UJLWBWOTTJLVKO-WDEREUQCSA-N 1 3 238.400 2.276 20 0 BEADHO CSc1ccccc1C[C@H](C)N[C@@H](C)C[NH3+] ZINC000414947076 352370413 /nfs/dbraw/zinc/37/04/13/352370413.db2.gz UJLWBWOTTJLVKO-QWRGUYRKSA-N 1 3 238.400 2.276 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@H]2C)CCN1 ZINC000252931283 538103687 /nfs/dbraw/zinc/10/36/87/538103687.db2.gz BFFRSWMZRDXURF-UMSGYPCISA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@H]2C)CCN1 ZINC000252931283 538103689 /nfs/dbraw/zinc/10/36/89/538103689.db2.gz BFFRSWMZRDXURF-UMSGYPCISA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000252958517 538103791 /nfs/dbraw/zinc/10/37/91/538103791.db2.gz SWIAYLRCUHHJGQ-YVECIDJPSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000252958517 538103793 /nfs/dbraw/zinc/10/37/93/538103793.db2.gz SWIAYLRCUHHJGQ-YVECIDJPSA-N 1 3 210.365 2.105 20 0 BEADHO C[N@H+](CC1CCCCC1)C[C@@H]1CCCNC1 ZINC000042495608 352622248 /nfs/dbraw/zinc/62/22/48/352622248.db2.gz WMNPUBSJBQKVFX-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[N@@H+](CC1CCCCC1)C[C@@H]1CCCNC1 ZINC000042495608 352622252 /nfs/dbraw/zinc/62/22/52/352622252.db2.gz WMNPUBSJBQKVFX-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO COC1([C@H](C)[NH2+]CCCN2CCCC2)CCC1 ZINC000412024895 191239084 /nfs/dbraw/zinc/23/90/84/191239084.db2.gz ONJVKWBMXIVWJR-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO COC1([C@H](C)NCCC[NH+]2CCCC2)CCC1 ZINC000412024895 191239086 /nfs/dbraw/zinc/23/90/86/191239086.db2.gz ONJVKWBMXIVWJR-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000252097549 353296103 /nfs/dbraw/zinc/29/61/03/353296103.db2.gz FSQXNGIFBWULKA-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000252097549 353296104 /nfs/dbraw/zinc/29/61/04/353296104.db2.gz FSQXNGIFBWULKA-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCN)C[C@@H]1C ZINC000336688775 188256639 /nfs/dbraw/zinc/25/66/39/188256639.db2.gz VUZUNMYFUOZYDT-XQQFMLRXSA-N 1 3 212.381 2.386 20 0 BEADHO C1CC([NH2+]C2CCCCCCC2)CCN1 ZINC000038040536 188283549 /nfs/dbraw/zinc/28/35/49/188283549.db2.gz FWXMFXUUHKMPEJ-UHFFFAOYSA-N 1 3 210.365 2.441 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@@H]2C1 ZINC000126282372 188316208 /nfs/dbraw/zinc/31/62/08/188316208.db2.gz MUFUSUGQYSZHNN-XQQFMLRXSA-N 1 3 210.365 2.092 20 0 BEADHO C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCN4CCC[C@H]4C3)[C@@H]12 ZINC000306073401 188329304 /nfs/dbraw/zinc/32/93/04/188329304.db2.gz DNFJOCUWIWKGKC-NIFZNCRKSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)C1CC([NH2+]CC2=CCN(C)CC2)C1 ZINC000336666354 188339126 /nfs/dbraw/zinc/33/91/26/188339126.db2.gz LUOYAZZYKDPVBE-UHFFFAOYSA-N 1 3 222.376 2.273 20 0 BEADHO C1C[C@@H]2C[C@@H]([NH2+]C3CCSCC3)CCN2C1 ZINC000106868997 188345209 /nfs/dbraw/zinc/34/52/09/188345209.db2.gz IRSLVGSOGWWFBB-QWHCGFSZSA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@@H]2C[C@@H](NC3CCSCC3)CC[N@@H+]2C1 ZINC000106868997 188345211 /nfs/dbraw/zinc/34/52/11/188345211.db2.gz IRSLVGSOGWWFBB-QWHCGFSZSA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@@H]2C[C@@H](NC3CCSCC3)CC[N@H+]2C1 ZINC000106868997 188345213 /nfs/dbraw/zinc/34/52/13/188345213.db2.gz IRSLVGSOGWWFBB-QWHCGFSZSA-N 1 3 240.416 2.098 20 0 BEADHO N[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669589 353493364 /nfs/dbraw/zinc/49/33/64/353493364.db2.gz CJPZVXGRNMJDAK-HUUCEWRRSA-N 1 3 245.370 2.250 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000230126783 353473445 /nfs/dbraw/zinc/47/34/45/353473445.db2.gz XBSFAUXONVIAPO-RWMBFGLXSA-N 1 3 236.384 2.307 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000336778957 353530102 /nfs/dbraw/zinc/53/01/02/353530102.db2.gz MVFBLAUCWFHLCD-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@@](C)(C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106206 353621592 /nfs/dbraw/zinc/62/15/92/353621592.db2.gz XBUPFOKVWHUAPX-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@](C)(C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106206 353621594 /nfs/dbraw/zinc/62/15/94/353621594.db2.gz XBUPFOKVWHUAPX-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@](C)(CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106206 353621595 /nfs/dbraw/zinc/62/15/95/353621595.db2.gz XBUPFOKVWHUAPX-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO Cc1ccccc1[C@H](C)N(C)CCC[NH3+] ZINC000227743737 363249229 /nfs/dbraw/zinc/24/92/29/363249229.db2.gz NZNULDLGGCYEIW-LBPRGKRZSA-N 1 3 206.333 2.337 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@H]1CCCNCC1 ZINC000398105712 324218032 /nfs/dbraw/zinc/21/80/32/324218032.db2.gz VNABIGHLEMQGTR-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO c1cc(C[NH2+]C2CCN(C3CCC3)CC2)c[nH]1 ZINC000343744667 353970011 /nfs/dbraw/zinc/97/00/11/353970011.db2.gz XWEDNQNUKLACKD-UHFFFAOYSA-N 1 3 233.359 2.121 20 0 BEADHO CCCC[C@H](COC)[NH2+]CC1=CCN(C)CC1 ZINC000344281013 354200813 /nfs/dbraw/zinc/20/08/13/354200813.db2.gz ABKJBSMKRUYMPN-CQSZACIVSA-N 1 3 240.391 2.043 20 0 BEADHO [NH3+][C@@H]1CCCC[C@H]1NC1Cc2ccccc2C1 ZINC000334616596 354303784 /nfs/dbraw/zinc/30/37/84/354303784.db2.gz SSNFXGJWGWPFHT-HUUCEWRRSA-N 1 3 230.355 2.013 20 0 BEADHO C[C@H]1C[N@H+](CC[C@H]2CCCN2C)CCC1(F)F ZINC000334685094 354431209 /nfs/dbraw/zinc/43/12/09/354431209.db2.gz VNEDBJLLOZSNGF-NWDGAFQWSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H]1C[N@@H+](CC[C@H]2CCCN2C)CCC1(F)F ZINC000334685094 354431212 /nfs/dbraw/zinc/43/12/12/354431212.db2.gz VNEDBJLLOZSNGF-NWDGAFQWSA-N 1 3 246.345 2.448 20 0 BEADHO CCNCCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000578062672 366209517 /nfs/dbraw/zinc/20/95/17/366209517.db2.gz KCMVPEIAWDZMOR-VIFPVBQESA-N 1 3 226.286 2.307 20 0 BEADHO CC1(C)CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000232796141 363383997 /nfs/dbraw/zinc/38/39/97/363383997.db2.gz BGLBKUKIQLXUSX-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C1CNC1 ZINC000335145920 354856218 /nfs/dbraw/zinc/85/62/18/354856218.db2.gz JRYBAXWVULJNIO-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CCN)c1ccccc1 ZINC000235086524 363437524 /nfs/dbraw/zinc/43/75/24/363437524.db2.gz HABCSHOUUAXSHL-RYUDHWBXSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@H](CCN)[NH2+]C[C@H](C)c1ccccc1 ZINC000235440822 363444253 /nfs/dbraw/zinc/44/42/53/363444253.db2.gz HABCSHOUUAXSHL-NWDGAFQWSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@H](CN)[NH2+][C@H]1CCSc2ccccc21 ZINC000235463849 363445618 /nfs/dbraw/zinc/44/56/18/363445618.db2.gz OJXIKAGQLQROLJ-KOLCDFICSA-N 1 3 222.357 2.160 20 0 BEADHO CC(CN(C)CC1CC1)C[N@H+](C)CC1CC1 ZINC000346434442 354933876 /nfs/dbraw/zinc/93/38/76/354933876.db2.gz SPVZEDKXYDSAIV-UHFFFAOYSA-N 1 3 224.392 2.306 20 0 BEADHO CC(CN(C)CC1CC1)C[N@@H+](C)CC1CC1 ZINC000346434442 354933880 /nfs/dbraw/zinc/93/38/80/354933880.db2.gz SPVZEDKXYDSAIV-UHFFFAOYSA-N 1 3 224.392 2.306 20 0 BEADHO C1CC2(CCCC2)[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000335177541 354947360 /nfs/dbraw/zinc/94/73/60/354947360.db2.gz IRNSGHPRAMGQNC-NEPJUHHUSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H](CN1CC[C@@H](C)C1)C[N@@H+]1CC[C@H](C)C1 ZINC000346638022 355015616 /nfs/dbraw/zinc/01/56/16/355015616.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@H](CN1CC[C@@H](C)C1)C[N@H+]1CC[C@H](C)C1 ZINC000346638022 355015617 /nfs/dbraw/zinc/01/56/17/355015617.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H](CN1CC[C@H](C)C1)C[N@@H+]1CC[C@@H](C)C1 ZINC000346638022 355015618 /nfs/dbraw/zinc/01/56/18/355015618.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H](CN1CC[C@H](C)C1)C[N@H+]1CC[C@@H](C)C1 ZINC000346638022 355015619 /nfs/dbraw/zinc/01/56/19/355015619.db2.gz GKFVRKBZCKOGFZ-BTTYYORXSA-N 1 3 224.392 2.306 20 0 BEADHO [NH3+]CC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000335227906 355070021 /nfs/dbraw/zinc/07/00/21/355070021.db2.gz BJIXJGFNIJHCTR-HNNXBMFYSA-N 1 3 248.345 2.484 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000335217868 355056615 /nfs/dbraw/zinc/05/66/15/355056615.db2.gz MDHNVSLRAMQJGP-NEPJUHHUSA-N 1 3 224.373 2.498 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000346869029 355158061 /nfs/dbraw/zinc/15/80/61/355158061.db2.gz KDXPHBUAKQZPEO-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000346869029 355158065 /nfs/dbraw/zinc/15/80/65/355158065.db2.gz KDXPHBUAKQZPEO-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000346869028 355158505 /nfs/dbraw/zinc/15/85/05/355158505.db2.gz KDXPHBUAKQZPEO-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000346869028 355158507 /nfs/dbraw/zinc/15/85/07/355158507.db2.gz KDXPHBUAKQZPEO-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO C1CC1[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000335252439 355207676 /nfs/dbraw/zinc/20/76/76/355207676.db2.gz PHGDWRJMMREHRO-JSGCOSHPSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@]1(C)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346977889 355211489 /nfs/dbraw/zinc/21/14/89/355211489.db2.gz NECZOWBPQOIPNF-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@]1(C)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346977889 355211492 /nfs/dbraw/zinc/21/14/92/355211492.db2.gz NECZOWBPQOIPNF-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccccc1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000335256228 355189394 /nfs/dbraw/zinc/18/93/94/355189394.db2.gz FDJAELUVTCOHTB-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)[C@H]2CCCC[C@H]12 ZINC000347008693 355202300 /nfs/dbraw/zinc/20/23/00/355202300.db2.gz RVOZTYNRKJMBFL-TUVASFSCSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@H]2CCCC[C@H]12 ZINC000347008693 355202303 /nfs/dbraw/zinc/20/23/03/355202303.db2.gz RVOZTYNRKJMBFL-TUVASFSCSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)[C@H]2CCCC[C@@H]12 ZINC000347008691 355202885 /nfs/dbraw/zinc/20/28/85/355202885.db2.gz RVOZTYNRKJMBFL-KBXIAJHMSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@H]2CCCC[C@@H]12 ZINC000347008691 355202888 /nfs/dbraw/zinc/20/28/88/355202888.db2.gz RVOZTYNRKJMBFL-KBXIAJHMSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414887745 191615101 /nfs/dbraw/zinc/61/51/01/191615101.db2.gz ZJPKECVKKXZPOP-MNOVXSKESA-N 1 3 240.778 2.455 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC000352030395 134044607 /nfs/dbraw/zinc/04/46/07/134044607.db2.gz VTAMLQPSGYXJRA-CHWSQXEVSA-N 1 3 230.371 2.398 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352030395 134044608 /nfs/dbraw/zinc/04/46/08/134044608.db2.gz VTAMLQPSGYXJRA-CHWSQXEVSA-N 1 3 230.371 2.398 20 0 BEADHO Cc1ccc(N[C@@H]2CCC[NH2+]C2)c(CN(C)C)c1 ZINC000415126708 191682578 /nfs/dbraw/zinc/68/25/78/191682578.db2.gz UYCFNTBAKBEOOE-CQSZACIVSA-N 1 3 247.386 2.221 20 0 BEADHO C[N@@H+]1CC[C@@]2(CCN([C@H]3C=CCCC3)C2)C1 ZINC000335887761 355679665 /nfs/dbraw/zinc/67/96/65/355679665.db2.gz CFBLXFVFIGLAGK-UONOGXRCSA-N 1 3 220.360 2.123 20 0 BEADHO C[N@H+]1CC[C@@]2(CCN([C@H]3C=CCCC3)C2)C1 ZINC000335887761 355679667 /nfs/dbraw/zinc/67/96/67/355679667.db2.gz CFBLXFVFIGLAGK-UONOGXRCSA-N 1 3 220.360 2.123 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)CS1 ZINC000639346600 355793180 /nfs/dbraw/zinc/79/31/80/355793180.db2.gz HMKUZJWSOYHEFS-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H](CC[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000216161097 355911224 /nfs/dbraw/zinc/91/12/24/355911224.db2.gz KRYJPHUVKDNLFB-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](CC[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000216161097 355911228 /nfs/dbraw/zinc/91/12/28/355911228.db2.gz KRYJPHUVKDNLFB-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1C/C=C/c1ccccc1 ZINC000216193636 355925837 /nfs/dbraw/zinc/92/58/37/355925837.db2.gz FLAIQOKFGJKICM-IEOKHJKGSA-N 1 3 230.355 2.369 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000582228975 355992467 /nfs/dbraw/zinc/99/24/67/355992467.db2.gz GKVSWVXCHYJPNZ-ZIAGYGMSSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1ccc(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861980 356099550 /nfs/dbraw/zinc/09/95/50/356099550.db2.gz MRYFCJPGDDJQNY-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO CCc1ccc(CCN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861576 356099801 /nfs/dbraw/zinc/09/98/01/356099801.db2.gz KRIDWAGZXOIVOM-XJKSGUPXSA-N 1 3 246.398 2.461 20 0 BEADHO CN(CCCc1ccsc1)C1CC[NH2+]CC1 ZINC000420264572 192191518 /nfs/dbraw/zinc/19/15/18/192191518.db2.gz APFHZNNIOVRRQV-UHFFFAOYSA-N 1 3 238.400 2.365 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCc2ccncc2)C1 ZINC000420292674 192203632 /nfs/dbraw/zinc/20/36/32/192203632.db2.gz PVJXNQJUOOGUTD-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCc1ccsc1 ZINC000420316217 192213257 /nfs/dbraw/zinc/21/32/57/192213257.db2.gz LTTGZTURKISMBO-AAEUAGOBSA-N 1 3 238.400 2.350 20 0 BEADHO CCc1cccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000420317228 192212235 /nfs/dbraw/zinc/21/22/35/192212235.db2.gz MRSUGQPYIOETSF-SWLSCSKDSA-N 1 3 232.371 2.418 20 0 BEADHO Cc1cc([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)on1 ZINC000420326819 192229908 /nfs/dbraw/zinc/22/99/08/192229908.db2.gz XVHBZAZAYFFEOZ-CHWSQXEVSA-N 1 3 249.358 2.120 20 0 BEADHO CCCCOCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420372652 192230470 /nfs/dbraw/zinc/23/04/70/192230470.db2.gz QHUTXRGGUISXIN-AWEZNQCLSA-N 1 3 242.407 2.300 20 0 BEADHO CCC(C)(C)CCN(C)CCC[NH2+]C ZINC000420382484 192235471 /nfs/dbraw/zinc/23/54/71/192235471.db2.gz ANNPTKIPIGUGRB-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CCC(C)(C)CC[N@H+](C)CCCNC ZINC000420382484 192235473 /nfs/dbraw/zinc/23/54/73/192235473.db2.gz ANNPTKIPIGUGRB-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CCC(C)(C)CC[N@@H+](C)CCCNC ZINC000420382484 192235476 /nfs/dbraw/zinc/23/54/76/192235476.db2.gz ANNPTKIPIGUGRB-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO C[C@H](c1ccccc1)[C@H](C)NC[C@H](C)[NH3+] ZINC000420417329 192240620 /nfs/dbraw/zinc/24/06/20/192240620.db2.gz WJVMFVFYXCDKBC-SRVKXCTJSA-N 1 3 206.333 2.115 20 0 BEADHO CC(C)C[N@H+](CCN)[C@@H]1CCCc2cccnc21 ZINC000420381033 192233899 /nfs/dbraw/zinc/23/38/99/192233899.db2.gz XGGXITIJZNDOCP-CQSZACIVSA-N 1 3 247.386 2.376 20 0 BEADHO CC(C)C[N@@H+](CCN)[C@@H]1CCCc2cccnc21 ZINC000420381033 192233900 /nfs/dbraw/zinc/23/39/00/192233900.db2.gz XGGXITIJZNDOCP-CQSZACIVSA-N 1 3 247.386 2.376 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCNC2)[C@@H]1C ZINC000386090842 356492190 /nfs/dbraw/zinc/49/21/90/356492190.db2.gz FVSQYSOAOFXZSM-FVCCEPFGSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCC(F)(F)F ZINC000422962464 192526961 /nfs/dbraw/zinc/52/69/61/192526961.db2.gz CORPZFHWZQCSLH-YUMQZZPRSA-N 1 3 212.259 2.044 20 0 BEADHO CC[C@@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683900 356599659 /nfs/dbraw/zinc/59/96/59/356599659.db2.gz NTXZCLYRMDRYAB-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CC[C@@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683900 356599663 /nfs/dbraw/zinc/59/96/63/356599663.db2.gz NTXZCLYRMDRYAB-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO C[C@H]1C[C@@H]1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639685932 356601699 /nfs/dbraw/zinc/60/16/99/356601699.db2.gz ZEQBKHTXIBPSGD-UONOGXRCSA-N 1 3 245.370 2.250 20 0 BEADHO C[C@H]1C[C@@H]1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639685932 356601701 /nfs/dbraw/zinc/60/17/01/356601701.db2.gz ZEQBKHTXIBPSGD-UONOGXRCSA-N 1 3 245.370 2.250 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000563951297 356665103 /nfs/dbraw/zinc/66/51/03/356665103.db2.gz XUXHHLIASPAJBJ-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO CCc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)cc[nH+]1 ZINC000450417372 202161059 /nfs/dbraw/zinc/16/10/59/202161059.db2.gz JGOJAWVAXMYLPT-NEPJUHHUSA-N 1 3 233.359 2.173 20 0 BEADHO C[N@@H+]1CC[C@@H](NCCc2ccco2)CC1(C)C ZINC000623338585 356734437 /nfs/dbraw/zinc/73/44/37/356734437.db2.gz HIAVSTBRMZSYSD-GFCCVEGCSA-N 1 3 236.359 2.285 20 0 BEADHO C[N@H+]1CC[C@@H](NCCc2ccco2)CC1(C)C ZINC000623338585 356734443 /nfs/dbraw/zinc/73/44/43/356734443.db2.gz HIAVSTBRMZSYSD-GFCCVEGCSA-N 1 3 236.359 2.285 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000578185298 366368069 /nfs/dbraw/zinc/36/80/69/366368069.db2.gz YCPYTFOHHZHZDG-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000423164626 192601516 /nfs/dbraw/zinc/60/15/16/192601516.db2.gz XGUKXFFGNJBZKZ-PWSUYJOCSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423154338 192594809 /nfs/dbraw/zinc/59/48/09/192594809.db2.gz OQVVGVQHJPVQDZ-XUXIUFHCSA-N 1 3 224.392 2.256 20 0 BEADHO CCc1cc(N2CCN(CC)C[C@H]2C)cc[nH+]1 ZINC000450533121 202190825 /nfs/dbraw/zinc/19/08/25/202190825.db2.gz ZJFGJVNVPKPYEB-GFCCVEGCSA-N 1 3 233.359 2.174 20 0 BEADHO C[NH2+]CCN[C@H](C)[C@@H](C)C1CCCCC1 ZINC000423222485 192633389 /nfs/dbraw/zinc/63/33/89/192633389.db2.gz BGODMHYNRYOMIM-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCOCc2ccccc2)C1 ZINC000390229026 357086692 /nfs/dbraw/zinc/08/66/92/357086692.db2.gz FEJGJJIPPWAFEH-HUUCEWRRSA-N 1 3 248.370 2.063 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCOCc2ccccc2)C1 ZINC000390229024 357086779 /nfs/dbraw/zinc/08/67/79/357086779.db2.gz FEJGJJIPPWAFEH-CABCVRRESA-N 1 3 248.370 2.063 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000391456076 357130332 /nfs/dbraw/zinc/13/03/32/357130332.db2.gz JHTMPBHZVAIUHY-OLZOCXBDSA-N 1 3 222.376 2.426 20 0 BEADHO CCN1CC[C@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631659598 357189762 /nfs/dbraw/zinc/18/97/62/357189762.db2.gz RZNPZROMJYUSDJ-QWRGUYRKSA-N 1 3 216.344 2.054 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](CN)C1 ZINC000347032439 134196316 /nfs/dbraw/zinc/19/63/16/134196316.db2.gz ABIDRIJWUOFBGV-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](CN)C1 ZINC000347032439 134196317 /nfs/dbraw/zinc/19/63/17/134196317.db2.gz ABIDRIJWUOFBGV-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000582606259 357349187 /nfs/dbraw/zinc/34/91/87/357349187.db2.gz LSFGOOQRUQKHMI-MELADBBJSA-N 1 3 236.403 2.354 20 0 BEADHO Cc1cc(C)c(CN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000396976192 357487971 /nfs/dbraw/zinc/48/79/71/357487971.db2.gz KIGTZSXIGROPKK-UONOGXRCSA-N 1 3 233.359 2.058 20 0 BEADHO CC(C)CSCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000397364326 357513755 /nfs/dbraw/zinc/51/37/55/357513755.db2.gz YOBOWTSRLPYYAW-VXGBXAGGSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@@H](NCCCC[NH3+])c1cccc(F)c1F ZINC000235208413 357857800 /nfs/dbraw/zinc/85/78/00/357857800.db2.gz ALPGLMSRKMEZPN-SECBINFHSA-N 1 3 228.286 2.354 20 0 BEADHO CN(C)CCOCC[NH2+][C@H]1CCCCC1(C)C ZINC000219324072 357995099 /nfs/dbraw/zinc/99/50/99/357995099.db2.gz WDICCVKZICRGPE-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCc1ccccc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000217464335 134246814 /nfs/dbraw/zinc/24/68/14/134246814.db2.gz BKOLLYXTMPGIGK-SWLSCSKDSA-N 1 3 232.371 2.418 20 0 BEADHO CN1CCC[C@H]1CC[NH+]1CCC(C)(F)CC1 ZINC000640071275 358154657 /nfs/dbraw/zinc/15/46/57/358154657.db2.gz HNOVTVLYOYJMPR-LBPRGKRZSA-N 1 3 228.355 2.295 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000584848882 358208702 /nfs/dbraw/zinc/20/87/02/358208702.db2.gz ATNLSMRELIWWCA-QWHCGFSZSA-N 1 3 242.407 2.299 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000584848880 358208849 /nfs/dbraw/zinc/20/88/49/358208849.db2.gz ATNLSMRELIWWCA-CHWSQXEVSA-N 1 3 242.407 2.299 20 0 BEADHO CC(C)C[C@H](N)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000578206657 366391679 /nfs/dbraw/zinc/39/16/79/366391679.db2.gz ZWOFAOMDHGHHLS-ZFWWWQNUSA-N 1 3 247.386 2.219 20 0 BEADHO Cc1cccc(CN2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000226878794 358346989 /nfs/dbraw/zinc/34/69/89/358346989.db2.gz OGAWICBJXCBKIG-OCCSQVGLSA-N 1 3 218.344 2.307 20 0 BEADHO CC(C)[N@H+](CC1CC1)C[C@@H]1CCCNC1 ZINC000042593607 358353647 /nfs/dbraw/zinc/35/36/47/358353647.db2.gz SUEKWZJFSZJLIO-CYBMUJFWSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[N@@H+](CC1CC1)C[C@@H]1CCCNC1 ZINC000042593607 358353650 /nfs/dbraw/zinc/35/36/50/358353650.db2.gz SUEKWZJFSZJLIO-CYBMUJFWSA-N 1 3 210.365 2.106 20 0 BEADHO COC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)C(C)C ZINC000227541418 358359659 /nfs/dbraw/zinc/35/96/59/358359659.db2.gz QLNLWLKGTYEBDZ-KFWWJZLASA-N 1 3 248.370 2.392 20 0 BEADHO CC[NH+]1CCC(CN[C@@H](C)c2ccccn2)CC1 ZINC000044517424 358388612 /nfs/dbraw/zinc/38/86/12/358388612.db2.gz TVYZFDAMCFSEPY-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO CSCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173786609 134277653 /nfs/dbraw/zinc/27/76/53/134277653.db2.gz DMLIDCUXROEJKB-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000173786609 134277654 /nfs/dbraw/zinc/27/76/54/134277654.db2.gz DMLIDCUXROEJKB-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000173786609 134277655 /nfs/dbraw/zinc/27/76/55/134277655.db2.gz DMLIDCUXROEJKB-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO CCCCOCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000229340597 358402038 /nfs/dbraw/zinc/40/20/38/358402038.db2.gz PNUZTXRHIOIFCZ-STQMWFEESA-N 1 3 228.380 2.053 20 0 BEADHO CCCCOCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000229340574 358402342 /nfs/dbraw/zinc/40/23/42/358402342.db2.gz PNUZTXRHIOIFCZ-OLZOCXBDSA-N 1 3 228.380 2.053 20 0 BEADHO COCCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132067489 358705883 /nfs/dbraw/zinc/70/58/83/358705883.db2.gz JDYKFXWSYOCZJK-KGLIPLIRSA-N 1 3 234.343 2.147 20 0 BEADHO CC[C@@H](C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000133231072 358749186 /nfs/dbraw/zinc/74/91/86/358749186.db2.gz RFVRDOPLGZFENV-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)N1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000059313340 358918815 /nfs/dbraw/zinc/91/88/15/358918815.db2.gz HXAFJDJDVZGOCL-UHFFFAOYSA-N 1 3 238.297 2.401 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCc2ccccc2C1 ZINC000396638411 358941270 /nfs/dbraw/zinc/94/12/70/358941270.db2.gz HFHSFEFSUZTZIA-RCBQFDQVSA-N 1 3 244.382 2.274 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423331682 192711659 /nfs/dbraw/zinc/71/16/59/192711659.db2.gz UTCBOHGYFCJUKI-CHWSQXEVSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248067340 359253139 /nfs/dbraw/zinc/25/31/39/359253139.db2.gz MHCFSHBGKBZWGZ-MJBXVCDLSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248067340 359253141 /nfs/dbraw/zinc/25/31/41/359253141.db2.gz MHCFSHBGKBZWGZ-MJBXVCDLSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247160928 359198309 /nfs/dbraw/zinc/19/83/09/359198309.db2.gz UDVZLZPBVDDEOP-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)C[C@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423455154 192776538 /nfs/dbraw/zinc/77/65/38/192776538.db2.gz MERDAOSYTPYSBR-ZSAUSMIDSA-N 1 3 236.403 2.399 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCC2=CCCCC2)C1 ZINC000379591797 359557237 /nfs/dbraw/zinc/55/72/37/359557237.db2.gz YCMNUBHVPOMYFX-QWHCGFSZSA-N 1 3 208.349 2.346 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCC2=CCCCC2)C1 ZINC000379591796 359557257 /nfs/dbraw/zinc/55/72/57/359557257.db2.gz YCMNUBHVPOMYFX-OLZOCXBDSA-N 1 3 208.349 2.346 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](F)C2)C1 ZINC000578787452 366650505 /nfs/dbraw/zinc/65/05/05/366650505.db2.gz PEOVDXUUAZIOMO-WYUUTHIRSA-N 1 3 214.328 2.127 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000089147661 359993726 /nfs/dbraw/zinc/99/37/26/359993726.db2.gz QCDFXZQLANPMIM-CABCVRRESA-N 1 3 232.371 2.336 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089145573 359993034 /nfs/dbraw/zinc/99/30/34/359993034.db2.gz YJNWSRBUINMXBC-ZFWWWQNUSA-N 1 3 248.370 2.042 20 0 BEADHO CCN1CC[C@H]([N@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638603 360264642 /nfs/dbraw/zinc/26/46/42/360264642.db2.gz SOSJBCTXEKGYBI-OCCSQVGLSA-N 1 3 236.359 2.442 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638603 360264644 /nfs/dbraw/zinc/26/46/44/360264644.db2.gz SOSJBCTXEKGYBI-OCCSQVGLSA-N 1 3 236.359 2.442 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000095015555 360331356 /nfs/dbraw/zinc/33/13/56/360331356.db2.gz OUXRQVDXXIDWEB-SYQHCUMBSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H](CCCO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000094941528 360327163 /nfs/dbraw/zinc/32/71/63/360327163.db2.gz WSMNXFQKBUBUOV-MCIONIFRSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@H](CCc1ccsc1)[NH2+]C1CCNCC1 ZINC000414787613 200763831 /nfs/dbraw/zinc/76/38/31/200763831.db2.gz ZLYKWQXIULDGGK-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](CCc1ccsc1)NC1CC[NH2+]CC1 ZINC000414787613 200763835 /nfs/dbraw/zinc/76/38/35/200763835.db2.gz ZLYKWQXIULDGGK-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000414922968 200782155 /nfs/dbraw/zinc/78/21/55/200782155.db2.gz GPHDQXSXADLLOA-SQWLQELKSA-N 1 3 246.398 2.453 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000629390316 361038079 /nfs/dbraw/zinc/03/80/79/361038079.db2.gz NYJYNUFKNZOTCK-QJPTWQEYSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]CCCOCCNCc1cccc(C2CC2)c1 ZINC000629400561 361052156 /nfs/dbraw/zinc/05/21/56/361052156.db2.gz DICWDGWGWGMZCW-UHFFFAOYSA-N 1 3 248.370 2.019 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@H]1C1CC1 ZINC000629408447 361059240 /nfs/dbraw/zinc/05/92/40/361059240.db2.gz VIYKHVQXOSAOTN-DEQVHRJGSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000629408447 361059245 /nfs/dbraw/zinc/05/92/45/361059245.db2.gz VIYKHVQXOSAOTN-DEQVHRJGSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H](CC1CCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410504 361059630 /nfs/dbraw/zinc/05/96/30/361059630.db2.gz FWKMWWUYEWKQIP-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@@H]1C1CC1 ZINC000629408448 361059689 /nfs/dbraw/zinc/05/96/89/361059689.db2.gz VIYKHVQXOSAOTN-IGHBBLSQSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000629408448 361059691 /nfs/dbraw/zinc/05/96/91/361059691.db2.gz VIYKHVQXOSAOTN-IGHBBLSQSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H](CC1CCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410502 361059760 /nfs/dbraw/zinc/05/97/60/361059760.db2.gz FWKMWWUYEWKQIP-MDZLAQPJSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CCC(F)(F)F)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629418402 361063172 /nfs/dbraw/zinc/06/31/72/361063172.db2.gz XTXSZKVBKTVICO-OPRDCNLKSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000629521173 361117720 /nfs/dbraw/zinc/11/77/20/361117720.db2.gz RXKMVFQZIWZOOM-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCCC1 ZINC000629521173 361117723 /nfs/dbraw/zinc/11/77/23/361117723.db2.gz RXKMVFQZIWZOOM-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)C1C[NH2+]C1 ZINC000629512453 361107622 /nfs/dbraw/zinc/10/76/22/361107622.db2.gz AKJXJRPDCAVLLU-KCPJHIHWSA-N 1 3 244.382 2.376 20 0 BEADHO C[C@@H]([NH2+][C@@H]1[C@@H](c2ccccc2)C1(C)C)C1CNC1 ZINC000629512453 361107625 /nfs/dbraw/zinc/10/76/25/361107625.db2.gz AKJXJRPDCAVLLU-KCPJHIHWSA-N 1 3 244.382 2.376 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000629528097 361135633 /nfs/dbraw/zinc/13/56/33/361135633.db2.gz PDVBKCBFQDMUNG-YNEHKIRRSA-N 1 3 222.376 2.439 20 0 BEADHO CCO[C@@H](C[N@@H+]1CCCC[C@H]1CCN)C1CC1 ZINC000629531655 361148877 /nfs/dbraw/zinc/14/88/77/361148877.db2.gz SUIWLOSJSLONAX-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO CCO[C@@H](C[N@H+]1CCCC[C@H]1CCN)C1CC1 ZINC000629531655 361148880 /nfs/dbraw/zinc/14/88/80/361148880.db2.gz SUIWLOSJSLONAX-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1CC ZINC000629526282 361127726 /nfs/dbraw/zinc/12/77/26/361127726.db2.gz OTEGGOFFBJMZGW-ZDEQEGDKSA-N 1 3 210.365 2.295 20 0 BEADHO COC1(CNC2CC([NH+](C)C)C2)CCCCC1 ZINC000579023819 366698531 /nfs/dbraw/zinc/69/85/31/366698531.db2.gz BCEYOSNVJVUDAC-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000622044443 370672528 /nfs/dbraw/zinc/67/25/28/370672528.db2.gz FSVHQJDOIGLPOY-MVKMKZAISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](NCC1CC(C)C1)[C@H]1CCCC[NH2+]1 ZINC000622044869 370674619 /nfs/dbraw/zinc/67/46/19/370674619.db2.gz WGGDSEXHQAMGHZ-PYNQCMFNSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](NCC1CC(C)C1)[C@@H]1CCC[NH2+]1 ZINC000622044492 370676797 /nfs/dbraw/zinc/67/67/97/370676797.db2.gz HYXYHYYVUOFMEU-TYUFSLCMSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]CC1CC(C)C1)[C@@H]1CCCN1 ZINC000622044492 370676803 /nfs/dbraw/zinc/67/68/03/370676803.db2.gz HYXYHYYVUOFMEU-TYUFSLCMSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCO[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000622045308 370680193 /nfs/dbraw/zinc/68/01/93/370680193.db2.gz LURWZBYMPMUOIV-XQQFMLRXSA-N 1 3 242.407 2.297 20 0 BEADHO CCCCO[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000622045308 370680196 /nfs/dbraw/zinc/68/01/96/370680196.db2.gz LURWZBYMPMUOIV-XQQFMLRXSA-N 1 3 242.407 2.297 20 0 BEADHO COC(C)(C)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429541357 201112985 /nfs/dbraw/zinc/11/29/85/201112985.db2.gz OPLJBKUXDNJOOT-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO COC(C)(C)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429541357 201112987 /nfs/dbraw/zinc/11/29/87/201112987.db2.gz OPLJBKUXDNJOOT-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538806 361403251 /nfs/dbraw/zinc/40/32/51/361403251.db2.gz LGZYTGISQNGURM-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO NC1(C[NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC000342125932 181332135 /nfs/dbraw/zinc/33/21/35/181332135.db2.gz LGKHKKYPYRDIIO-UHFFFAOYSA-N 1 3 230.355 2.146 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000629543801 361412732 /nfs/dbraw/zinc/41/27/32/361412732.db2.gz BQULZLDWYBGSAW-NNYUYHANSA-N 1 3 210.365 2.151 20 0 BEADHO CNCCC[N@@H+]1CC(C)(C)CCC1(C)C ZINC000629543715 361412875 /nfs/dbraw/zinc/41/28/75/361412875.db2.gz ABPZCIRVOLICOF-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CC(C)(C)CCC1(C)C ZINC000629543715 361412878 /nfs/dbraw/zinc/41/28/78/361412878.db2.gz ABPZCIRVOLICOF-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CN)C[C@H]2C[C@H]2C1 ZINC000629539849 361413196 /nfs/dbraw/zinc/41/31/96/361413196.db2.gz RTAADEQEMGBWCC-ODXJTPSBSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542710 361420173 /nfs/dbraw/zinc/42/01/73/361420173.db2.gz JOBIVGRTQJDJPN-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629544288 361420866 /nfs/dbraw/zinc/42/08/66/361420866.db2.gz JBBDGIAWZIJJOG-RVMXOQNASA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN[C@H]1C ZINC000629544335 361421491 /nfs/dbraw/zinc/42/14/91/361421491.db2.gz JWTNNYUBKWTILG-LPEHRKFASA-N 1 3 238.297 2.448 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000629545291 361425569 /nfs/dbraw/zinc/42/55/69/361425569.db2.gz BSUQRLPYQVSKAV-WISYIIOYSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1NC1[C@H](C)CCC[C@H]1C ZINC000629545291 361425571 /nfs/dbraw/zinc/42/55/71/361425571.db2.gz BSUQRLPYQVSKAV-WISYIIOYSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629545683 361427006 /nfs/dbraw/zinc/42/70/06/361427006.db2.gz QAZFMBQVELFISU-NNYUYHANSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629553179 361437902 /nfs/dbraw/zinc/43/79/02/361437902.db2.gz LVEJYLCQJPMURG-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC000629566543 361457906 /nfs/dbraw/zinc/45/79/06/361457906.db2.gz ULBJZXXCCBKPAB-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+]C1CCC(NCc2ccc(F)cc2F)CC1 ZINC000051693539 181341613 /nfs/dbraw/zinc/34/16/13/181341613.db2.gz PHLJYBOLNUNGRF-UHFFFAOYSA-N 1 3 240.297 2.324 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H]1c1ccccc1 ZINC000435872273 201289571 /nfs/dbraw/zinc/28/95/71/201289571.db2.gz NTBUYBNMDUBJEE-CQSZACIVSA-N 1 3 218.344 2.433 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000435872273 201289574 /nfs/dbraw/zinc/28/95/74/201289574.db2.gz NTBUYBNMDUBJEE-CQSZACIVSA-N 1 3 218.344 2.433 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000435872273 201289577 /nfs/dbraw/zinc/28/95/77/201289577.db2.gz NTBUYBNMDUBJEE-CQSZACIVSA-N 1 3 218.344 2.433 20 0 BEADHO [NH3+]C1CCN(CCC2CCCCC2)CC1 ZINC000037741962 181344059 /nfs/dbraw/zinc/34/40/59/181344059.db2.gz NAFHKBZXYAAHBR-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CCCN ZINC000437776281 201371152 /nfs/dbraw/zinc/37/11/52/201371152.db2.gz QRZVAADXCGZDQR-NSHDSACASA-N 1 3 224.323 2.085 20 0 BEADHO CCC[C@H](Cc1ccccc1)[NH2+]CCCN ZINC000437769473 201372353 /nfs/dbraw/zinc/37/23/53/201372353.db2.gz FFNYCGGARSPUKG-CQSZACIVSA-N 1 3 220.360 2.336 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+]CCCN)cc1 ZINC000437782592 201372507 /nfs/dbraw/zinc/37/25/07/201372507.db2.gz GJODOUWYJXOMMQ-CYBMUJFWSA-N 1 3 220.360 2.255 20 0 BEADHO CC(F)(F)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000357716675 167816256 /nfs/dbraw/zinc/81/62/56/167816256.db2.gz OWQBZLCFGJGDKC-UWVGGRQHSA-N 1 3 220.307 2.139 20 0 BEADHO CC1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000398971078 364401346 /nfs/dbraw/zinc/40/13/46/364401346.db2.gz WBDZXLQYWUOUOZ-PYNQCMFNSA-N 1 3 210.365 2.295 20 0 BEADHO COC1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000573696555 364896475 /nfs/dbraw/zinc/89/64/75/364896475.db2.gz JVQFQZAPCNVPAG-CEUNDQEZSA-N 1 3 240.391 2.051 20 0 BEADHO [NH3+]CCCN1CCC(c2ccc(F)cc2)CC1 ZINC000057527908 181379530 /nfs/dbraw/zinc/37/95/30/181379530.db2.gz VFMQCWPKRRNFKO-UHFFFAOYSA-N 1 3 236.334 2.354 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCC2(C(F)(F)F)CC2)C1 ZINC000574415530 365059229 /nfs/dbraw/zinc/05/92/29/365059229.db2.gz YVGBSNZZCVZJCZ-DTWKUNHWSA-N 1 3 236.281 2.188 20 0 BEADHO CC[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCO1 ZINC000182330834 366887210 /nfs/dbraw/zinc/88/72/10/366887210.db2.gz CUKRRPJXKRCUNA-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000182330834 366887212 /nfs/dbraw/zinc/88/72/12/366887212.db2.gz CUKRRPJXKRCUNA-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]([NH3+])c1ccc(CNCC2(F)CC2)cc1 ZINC000575715627 365343656 /nfs/dbraw/zinc/34/36/56/365343656.db2.gz NIQFVPXPTDLFMT-SNVBAGLBSA-N 1 3 222.307 2.298 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC1CCC1 ZINC000173367952 365419017 /nfs/dbraw/zinc/41/90/17/365419017.db2.gz WOLGBEDPPXKLPA-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC1CCC1 ZINC000173367952 365419021 /nfs/dbraw/zinc/41/90/21/365419021.db2.gz WOLGBEDPPXKLPA-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CC[NH+](CC)CCCN(C)CC1CCC1 ZINC000173367952 365419026 /nfs/dbraw/zinc/41/90/26/365419026.db2.gz WOLGBEDPPXKLPA-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO CC[C@@H](C)[C@@H](C)[NH2+]CCCNC(C)C ZINC000579822400 367024542 /nfs/dbraw/zinc/02/45/42/367024542.db2.gz IBQBBTGAOAICQE-VXGBXAGGSA-N 1 3 200.370 2.399 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000579949630 367097691 /nfs/dbraw/zinc/09/76/91/367097691.db2.gz BCTISQIJHUKEOD-FRRDWIJNSA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000579949630 367097693 /nfs/dbraw/zinc/09/76/93/367097693.db2.gz BCTISQIJHUKEOD-FRRDWIJNSA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000579949630 367097694 /nfs/dbraw/zinc/09/76/94/367097694.db2.gz BCTISQIJHUKEOD-FRRDWIJNSA-N 1 3 242.432 2.200 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@H](c2cccnc2)C2CC2)C1 ZINC000581143568 367277243 /nfs/dbraw/zinc/27/72/43/367277243.db2.gz XLGILDHLVTYSNR-ILXRZTDVSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)[C@H]1CC2CCC1CC2 ZINC000382203938 367497958 /nfs/dbraw/zinc/49/79/58/367497958.db2.gz SBCVHUPVBMGWSG-FDZXDKCCSA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000382608009 367548249 /nfs/dbraw/zinc/54/82/49/367548249.db2.gz ZQUKONZWASHPNB-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN(C)C ZINC000382366855 367512102 /nfs/dbraw/zinc/51/21/02/367512102.db2.gz WQBGUGOUMOJDAY-YNEHKIRRSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000382366848 367512617 /nfs/dbraw/zinc/51/26/17/367512617.db2.gz WQBGUGOUMOJDAY-JHJVBQTASA-N 1 3 212.381 2.352 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383199938 367605969 /nfs/dbraw/zinc/60/59/69/367605969.db2.gz YVAOEPOSPBAXHI-MNOVXSKESA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](CCC1CC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135664 367646594 /nfs/dbraw/zinc/64/65/94/367646594.db2.gz QPCCXMUIGAUDIN-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]CCCN1CCC(OCc2ccccc2)CC1 ZINC000383905722 367658493 /nfs/dbraw/zinc/65/84/93/367658493.db2.gz MHGMWOUIDPBJKF-UHFFFAOYSA-N 1 3 248.370 2.016 20 0 BEADHO CC/C=C\CNC1CC[NH+](C(C)C)CC1 ZINC000384834135 367738934 /nfs/dbraw/zinc/73/89/34/367738934.db2.gz HLNHQVLOAIORBG-WAYWQWQTSA-N 1 3 210.365 2.415 20 0 BEADHO CC/C=C\CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000385094029 367788118 /nfs/dbraw/zinc/78/81/18/367788118.db2.gz YNIMPVSQMNCDLT-KVOUUQTQSA-N 1 3 222.376 2.463 20 0 BEADHO CC/C=C/CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000385094032 367788381 /nfs/dbraw/zinc/78/83/81/367788381.db2.gz YNIMPVSQMNCDLT-SZRIJTSKSA-N 1 3 222.376 2.463 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000581878551 367866213 /nfs/dbraw/zinc/86/62/13/367866213.db2.gz NYDVNYWJTDLHKD-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CSCC1CCC([NH2+]C[C@H](C)CN)CC1 ZINC000385810975 367867338 /nfs/dbraw/zinc/86/73/38/367867338.db2.gz IEKAOKYINLXAPX-VOMCLLRMSA-N 1 3 230.421 2.093 20 0 BEADHO CCC1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386113044 367913985 /nfs/dbraw/zinc/91/39/85/367913985.db2.gz LTAIJKUQQOUCKI-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CCC1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000386113046 367914014 /nfs/dbraw/zinc/91/40/14/367914014.db2.gz LTAIJKUQQOUCKI-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](N[C@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000386125381 367915949 /nfs/dbraw/zinc/91/59/49/367915949.db2.gz NQUMITAELWXBJG-RWMBFGLXSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@@H](c1cccnc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386181222 367925186 /nfs/dbraw/zinc/92/51/86/367925186.db2.gz IWDVHWFKQGQPNP-AEGPPILISA-N 1 3 245.370 2.074 20 0 BEADHO CCOCC(C)(C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386506007 367981514 /nfs/dbraw/zinc/98/15/14/367981514.db2.gz WMPTVIVGCDVPDG-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC000387115100 368051849 /nfs/dbraw/zinc/05/18/49/368051849.db2.gz JFPWYUNWYOSNPG-IJLUTSLNSA-N 1 3 208.349 2.179 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC23CCCC3)C1 ZINC000387115100 368051854 /nfs/dbraw/zinc/05/18/54/368051854.db2.gz JFPWYUNWYOSNPG-IJLUTSLNSA-N 1 3 208.349 2.179 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000088162988 368907307 /nfs/dbraw/zinc/90/73/07/368907307.db2.gz SMPRYMGHYAGJJI-RAIGVLPGSA-N 1 3 210.365 2.425 20 0 BEADHO CCCn1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000091013032 369004410 /nfs/dbraw/zinc/00/44/10/369004410.db2.gz JNVPHGVDHNNKOH-AWEZNQCLSA-N 1 3 249.402 2.330 20 0 BEADHO CCCn1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000091013032 369004416 /nfs/dbraw/zinc/00/44/16/369004416.db2.gz JNVPHGVDHNNKOH-AWEZNQCLSA-N 1 3 249.402 2.330 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000623655748 368991186 /nfs/dbraw/zinc/99/11/86/368991186.db2.gz DOEWPAJNALNTRT-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623656022 368992894 /nfs/dbraw/zinc/99/28/94/368992894.db2.gz LBWDAIHWDVZINL-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623656021 368994066 /nfs/dbraw/zinc/99/40/66/368994066.db2.gz LBWDAIHWDVZINL-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631840940 369340477 /nfs/dbraw/zinc/34/04/77/369340477.db2.gz WQTONGNTXKWMFM-BBRMVZONSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@H](C)[C@@H](CN)C2)cc1 ZINC000631840940 369340479 /nfs/dbraw/zinc/34/04/79/369340479.db2.gz WQTONGNTXKWMFM-BBRMVZONSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CCN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631840940 369340481 /nfs/dbraw/zinc/34/04/81/369340481.db2.gz WQTONGNTXKWMFM-BBRMVZONSA-N 1 3 246.398 2.318 20 0 BEADHO Cc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000459735037 203346763 /nfs/dbraw/zinc/34/67/63/203346763.db2.gz PJKFPCHGSALLEW-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)nc1 ZINC000459735037 203346767 /nfs/dbraw/zinc/34/67/67/203346767.db2.gz PJKFPCHGSALLEW-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO CC[C@@H](COC)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000157357976 326270229 /nfs/dbraw/zinc/27/02/29/326270229.db2.gz BJYBONJCNPBWMI-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](COC)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000157357976 326270232 /nfs/dbraw/zinc/27/02/32/326270232.db2.gz BJYBONJCNPBWMI-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2CCO[C@H]2CC)CC1 ZINC000459740828 203350359 /nfs/dbraw/zinc/35/03/59/203350359.db2.gz MGUNNXMFZQRJBA-KGLIPLIRSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]1CN(c2ccnc3ccccc32)CC[C@H]1[NH3+] ZINC000251903956 369981228 /nfs/dbraw/zinc/98/12/28/369981228.db2.gz WQSGBYFGDNVMSD-WCQYABFASA-N 1 3 241.338 2.408 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252860997 370137265 /nfs/dbraw/zinc/13/72/65/370137265.db2.gz NGDLLRXNSMOKIJ-UNQGMJICSA-N 1 3 245.370 2.202 20 0 BEADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000631867585 370283636 /nfs/dbraw/zinc/28/36/36/370283636.db2.gz XEQLWJVNJZTWPP-KHMAMNHCSA-N 1 3 234.387 2.154 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621777341 370525360 /nfs/dbraw/zinc/52/53/60/370525360.db2.gz AZXHZNUSBIVIBR-CABCVRRESA-N 1 3 230.355 2.308 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621777341 370525361 /nfs/dbraw/zinc/52/53/61/370525361.db2.gz AZXHZNUSBIVIBR-CABCVRRESA-N 1 3 230.355 2.308 20 0 BEADHO CN1CC[C@H]([NH2+]CC(C)(C)F)CC1(C)C ZINC000631189964 372224438 /nfs/dbraw/zinc/22/44/38/372224438.db2.gz YLSZCVKBKQWAOU-JTQLQIEISA-N 1 3 216.344 2.197 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCc2ncccc21)CN(C)C ZINC000631629757 372469773 /nfs/dbraw/zinc/46/97/73/372469773.db2.gz DGZYRUYANXHKCY-IUODEOHRSA-N 1 3 247.386 2.246 20 0 BEADHO Cc1cc(C)c(CN2C[C@@H](C[NH3+])C[C@H]2C)c(C)n1 ZINC000631822442 372598644 /nfs/dbraw/zinc/59/86/44/372598644.db2.gz DETYDOCUIBQAKA-TZMCWYRMSA-N 1 3 247.386 2.176 20 0 BEADHO Cc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843880 372641667 /nfs/dbraw/zinc/64/16/67/372641667.db2.gz STYARPQHRUTRHL-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631843880 372641669 /nfs/dbraw/zinc/64/16/69/372641669.db2.gz STYARPQHRUTRHL-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631843880 372641676 /nfs/dbraw/zinc/64/16/76/372641676.db2.gz STYARPQHRUTRHL-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO CCC(CC)C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867196 372668293 /nfs/dbraw/zinc/66/82/93/372668293.db2.gz MKPACANRVQUDMA-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO C(CNC1CC1)C[NH2+]C1CCCCCC1 ZINC000040397510 373220451 /nfs/dbraw/zinc/22/04/51/373220451.db2.gz JWQAMRYUJGQIHF-UHFFFAOYSA-N 1 3 210.365 2.441 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCCF)C[C@H]1C ZINC000361531318 170009236 /nfs/dbraw/zinc/00/92/36/170009236.db2.gz QMBOCIBSSPMMAH-VXGBXAGGSA-N 1 3 216.344 2.151 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCCF)C[C@H]1C ZINC000361531318 170009238 /nfs/dbraw/zinc/00/92/38/170009238.db2.gz QMBOCIBSSPMMAH-VXGBXAGGSA-N 1 3 216.344 2.151 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCc2ccc(C)cc2)C1 ZINC000430915329 206062063 /nfs/dbraw/zinc/06/20/63/206062063.db2.gz CEQYOLOELAAUNK-OAHLLOKOSA-N 1 3 232.371 2.079 20 0 BEADHO CCC[NH+]1CCC(NC[C@@H]2CCC=CO2)CC1 ZINC000050267750 169188267 /nfs/dbraw/zinc/18/82/67/169188267.db2.gz LIWSWRMBLPIMIU-AWEZNQCLSA-N 1 3 238.375 2.143 20 0 BEADHO c1ccc(CCCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994627 183391775 /nfs/dbraw/zinc/39/17/75/183391775.db2.gz AIZUTGQRJCORCJ-MRXNPFEDSA-N 1 3 244.382 2.305 20 0 BEADHO c1ccc(CCCN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000336794653 183392064 /nfs/dbraw/zinc/39/20/64/183392064.db2.gz DPDRBMHDXUSNPD-JKSUJKDBSA-N 1 3 244.382 2.303 20 0 BEADHO CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000250904670 169282491 /nfs/dbraw/zinc/28/24/91/169282491.db2.gz YJHUGCGXKOIEGL-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H](CNC1CC[NH+](CCC)CC1)OC ZINC000356344611 169384633 /nfs/dbraw/zinc/38/46/33/169384633.db2.gz XCIPHOFSAQWSKM-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccs2)C1 ZINC000069626870 383834312 /nfs/dbraw/zinc/83/43/12/383834312.db2.gz YWUQWTDDWTUTAH-WDEREUQCSA-N 1 3 224.373 2.307 20 0 BEADHO C[C@H]([NH2+]CCCN(C)C)c1ccc2c(c1)CCO2 ZINC000037213714 383960323 /nfs/dbraw/zinc/96/03/23/383960323.db2.gz VIVNVHUOHWLNPQ-LBPRGKRZSA-N 1 3 248.370 2.224 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CC(C)(C)C ZINC000227732293 134385954 /nfs/dbraw/zinc/38/59/54/134385954.db2.gz PAHRFDNOWJBWKF-NSHDSACASA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)[C@@H](N)CC[N@H+](C)CC(C)(C)C ZINC000227732293 134385955 /nfs/dbraw/zinc/38/59/55/134385955.db2.gz PAHRFDNOWJBWKF-NSHDSACASA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)[C@@H](N)CC[N@@H+](C)CC(C)(C)C ZINC000227732293 134385957 /nfs/dbraw/zinc/38/59/57/134385957.db2.gz PAHRFDNOWJBWKF-NSHDSACASA-N 1 3 200.370 2.338 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643546096 384016374 /nfs/dbraw/zinc/01/63/74/384016374.db2.gz IHIXTCBPLMOQKZ-CMPLNLGQSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1C[C@H]1C ZINC000643549011 384040439 /nfs/dbraw/zinc/04/04/39/384040439.db2.gz YYMQXTFLMZFURU-LPWJVIDDSA-N 1 3 222.376 2.295 20 0 BEADHO C[NH+](C)CCC1CCN(Cc2ccco2)CC1 ZINC000092381242 384175883 /nfs/dbraw/zinc/17/58/83/384175883.db2.gz IQJFKUPRBJURRB-UHFFFAOYSA-N 1 3 236.359 2.443 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N)C2)c(C)c1 ZINC000235354631 384162512 /nfs/dbraw/zinc/16/25/12/384162512.db2.gz PVDVYHSYHAJGHT-OCCSQVGLSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)c(C)c1 ZINC000235354631 384162516 /nfs/dbraw/zinc/16/25/16/384162516.db2.gz PVDVYHSYHAJGHT-OCCSQVGLSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cc(NCC[NH+]2[C@H](C)CCC[C@H]2C)ccn1 ZINC000357681899 384234461 /nfs/dbraw/zinc/23/44/61/384234461.db2.gz JRDPWHRMFBMIRL-ZIAGYGMSSA-N 1 3 247.386 2.487 20 0 BEADHO C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCC(C)(C)C1 ZINC000234366510 384215035 /nfs/dbraw/zinc/21/50/35/384215035.db2.gz RDPKKIHJHGFTRL-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCC(C)(C)C1 ZINC000234366510 384215038 /nfs/dbraw/zinc/21/50/38/384215038.db2.gz RDPKKIHJHGFTRL-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000082594451 384240375 /nfs/dbraw/zinc/24/03/75/384240375.db2.gz MFBPVWPFHZLZMN-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000082594451 384240385 /nfs/dbraw/zinc/24/03/85/384240385.db2.gz MFBPVWPFHZLZMN-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@H]([NH3+])C1CCN(Cc2ccsc2)CC1 ZINC000082474674 384229933 /nfs/dbraw/zinc/22/99/33/384229933.db2.gz WBSNUHDRQYTFTR-JTQLQIEISA-N 1 3 224.373 2.307 20 0 BEADHO CC(C)[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000319503465 384256547 /nfs/dbraw/zinc/25/65/47/384256547.db2.gz JEDBJFRVNMTNAK-VXGBXAGGSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000082847465 384270698 /nfs/dbraw/zinc/27/06/98/384270698.db2.gz QPHIHXAIXWEZPP-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)N(C)CCC[NH2+]C(C1CC1)C1CC1 ZINC000166562314 384274502 /nfs/dbraw/zinc/27/45/02/384274502.db2.gz HUBKMDKIHGRDGS-UHFFFAOYSA-N 1 3 224.392 2.495 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCCSC)C1 ZINC000173909028 384284128 /nfs/dbraw/zinc/28/41/28/384284128.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCCSC)C1 ZINC000173909028 384284134 /nfs/dbraw/zinc/28/41/34/384284134.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCCSC)C1 ZINC000173909028 384284142 /nfs/dbraw/zinc/28/41/42/384284142.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000173909028 384284150 /nfs/dbraw/zinc/28/41/50/384284150.db2.gz HKURKJNKVIKJBU-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@@H]2C)CO1 ZINC000401975650 384354204 /nfs/dbraw/zinc/35/42/04/384354204.db2.gz TYHVZPFCXWSQAL-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1ccc(F)cn1 ZINC000133999979 384325130 /nfs/dbraw/zinc/32/51/30/384325130.db2.gz SKHCCSZKYHSLTB-LLVKDONJSA-N 1 3 239.338 2.213 20 0 BEADHO C[NH+](C)CCCCNCc1c(F)cccc1F ZINC000045598387 384401028 /nfs/dbraw/zinc/40/10/28/384401028.db2.gz UECAONUPSMPHCE-UHFFFAOYSA-N 1 3 242.313 2.396 20 0 BEADHO Cc1csc(CNC2CC[NH+](C)CC2)c1 ZINC000334283719 384424317 /nfs/dbraw/zinc/42/43/17/384424317.db2.gz ZLRDWFWHIGDVLJ-UHFFFAOYSA-N 1 3 224.373 2.240 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000084216786 384377730 /nfs/dbraw/zinc/37/77/30/384377730.db2.gz BPKXAXSPDWVTQP-NEPJUHHUSA-N 1 3 224.373 2.355 20 0 BEADHO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000306009748 384469530 /nfs/dbraw/zinc/46/95/30/384469530.db2.gz OPRQXJCVCQOAAA-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO COC(C)(C)[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000306009748 384469534 /nfs/dbraw/zinc/46/95/34/384469534.db2.gz OPRQXJCVCQOAAA-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO COC1(CN(C)CC[C@@H]([NH3+])C(C)C)CCCC1 ZINC000319817726 384497909 /nfs/dbraw/zinc/49/79/09/384497909.db2.gz HYDWTRNFXUBTCX-CYBMUJFWSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1CCC[C@H]1CN ZINC000397341840 384508492 /nfs/dbraw/zinc/50/84/92/384508492.db2.gz QMLDXLZKVPFHIC-RYUDHWBXSA-N 1 3 230.421 2.093 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150803645 384513855 /nfs/dbraw/zinc/51/38/55/384513855.db2.gz SRAGEKSIUILWMI-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150803645 384513863 /nfs/dbraw/zinc/51/38/63/384513863.db2.gz SRAGEKSIUILWMI-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150803645 384513866 /nfs/dbraw/zinc/51/38/66/384513866.db2.gz SRAGEKSIUILWMI-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CO[C@@H](C)[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000358016544 384517945 /nfs/dbraw/zinc/51/79/45/384517945.db2.gz GSVMZWVJFGBLQW-OLZOCXBDSA-N 1 3 242.407 2.120 20 0 BEADHO CN[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000150060440 384555327 /nfs/dbraw/zinc/55/53/27/384555327.db2.gz XCYSYKUBEYTKBT-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CN[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000150060440 384555337 /nfs/dbraw/zinc/55/53/37/384555337.db2.gz XCYSYKUBEYTKBT-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CN(C)CCC[NH2+]Cc1ccc(Cl)s1 ZINC000020054176 384572131 /nfs/dbraw/zinc/57/21/31/384572131.db2.gz SVIKHQWKQHKQGT-UHFFFAOYSA-N 1 3 232.780 2.443 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCCC[C@@H]1C ZINC000309732271 384572987 /nfs/dbraw/zinc/57/29/87/384572987.db2.gz BLMSQLBBNLNNAT-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C1[C@H]2CC[C@@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)C[C@@H]12 ZINC000403313571 384628842 /nfs/dbraw/zinc/62/88/42/384628842.db2.gz BLUKRLYVRXPGGA-KJWHEZOQSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@H](C[NH2+]C1CCC2(CC2)CC1)CN(C)C ZINC000309781643 384597500 /nfs/dbraw/zinc/59/75/00/384597500.db2.gz RJVXMLLVWKZGLT-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000086402709 384647120 /nfs/dbraw/zinc/64/71/20/384647120.db2.gz SYLLCXMZRSQKQT-QWHCGFSZSA-N 1 3 210.365 2.426 20 0 BEADHO CC(C)CCOCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000104421447 384685846 /nfs/dbraw/zinc/68/58/46/384685846.db2.gz JTGRIYCOJRXFSV-KGLIPLIRSA-N 1 3 242.407 2.108 20 0 BEADHO FC1(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543745 384713586 /nfs/dbraw/zinc/71/35/86/384713586.db2.gz RPJHQPHJYKERLV-CHWSQXEVSA-N 1 3 240.366 2.200 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000300988787 384774630 /nfs/dbraw/zinc/77/46/30/384774630.db2.gz VEXJHFDRUGUPBX-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000300988787 384774631 /nfs/dbraw/zinc/77/46/31/384774631.db2.gz VEXJHFDRUGUPBX-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1C[C@H]2CCC[C@@H]2C1 ZINC000126282834 384761225 /nfs/dbraw/zinc/76/12/25/384761225.db2.gz MUFUSUGQYSZHNN-UPJWGTAASA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[NH2+]C[C@@H](NCC2CCC(F)CC2)C1 ZINC000647553297 384768446 /nfs/dbraw/zinc/76/84/46/384768446.db2.gz QFZQPSFRGKIELP-XVSSEFHLSA-N 1 3 228.355 2.102 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000105480764 384785284 /nfs/dbraw/zinc/78/52/84/384785284.db2.gz USHVXMRBOYUMRR-ZFWWWQNUSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480764 384785289 /nfs/dbraw/zinc/78/52/89/384785289.db2.gz USHVXMRBOYUMRR-ZFWWWQNUSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cnc(CN[C@@H](C)CCCC[NH3+])s1 ZINC000379893374 384800384 /nfs/dbraw/zinc/80/03/84/384800384.db2.gz FYJBHUIGQCVXEE-VIFPVBQESA-N 1 3 227.377 2.059 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCCNC1 ZINC000423332189 384803161 /nfs/dbraw/zinc/80/31/61/384803161.db2.gz HBTRLQJPUUISQR-MJBXVCDLSA-N 1 3 222.376 2.154 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423339588 384814616 /nfs/dbraw/zinc/81/46/16/384814616.db2.gz LJKZRWBWMQLAAZ-MJBXVCDLSA-N 1 3 224.392 2.400 20 0 BEADHO C[NH+]1CCC(CCNCc2ccco2)CC1 ZINC000105454808 384869945 /nfs/dbraw/zinc/86/99/45/384869945.db2.gz LQNKGDMHZRUYTA-UHFFFAOYSA-N 1 3 222.332 2.101 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)CN(C)C ZINC000308645539 384885421 /nfs/dbraw/zinc/88/54/21/384885421.db2.gz HJJUQGCDDDEWEE-QWRGUYRKSA-N 1 3 200.370 2.208 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000423370322 384842787 /nfs/dbraw/zinc/84/27/87/384842787.db2.gz PLJKVYRNZLYMMK-GRYCIOLGSA-N 1 3 208.349 2.179 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000423370327 384843002 /nfs/dbraw/zinc/84/30/02/384843002.db2.gz PLJKVYRNZLYMMK-WOPDTQHZSA-N 1 3 208.349 2.179 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(CO)c1 ZINC000423376899 384848185 /nfs/dbraw/zinc/84/81/85/384848185.db2.gz JFWWSVNWHWOYPO-GLQYFDAESA-N 1 3 248.370 2.099 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000258920500 384951058 /nfs/dbraw/zinc/95/10/58/384951058.db2.gz ISYGNPHMTYYDOK-GJZGRUSLSA-N 1 3 248.370 2.443 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000423447063 384900973 /nfs/dbraw/zinc/90/09/73/384900973.db2.gz OSPSHXWFVPPGJI-RVBZMBCESA-N 1 3 222.307 2.138 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000251368149 384913503 /nfs/dbraw/zinc/91/35/03/384913503.db2.gz FNLXSRQDEQGQDY-STQMWFEESA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000251368149 384913512 /nfs/dbraw/zinc/91/35/12/384913512.db2.gz FNLXSRQDEQGQDY-STQMWFEESA-N 1 3 210.365 2.106 20 0 BEADHO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000259266020 384960137 /nfs/dbraw/zinc/96/01/37/384960137.db2.gz ZLAUJSBLFKBHFV-UONOGXRCSA-N 1 3 234.343 2.055 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000258762648 384941148 /nfs/dbraw/zinc/94/11/48/384941148.db2.gz APVWJUVHYOFJAC-KGLIPLIRSA-N 1 3 232.371 2.434 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000164422231 384988667 /nfs/dbraw/zinc/98/86/67/384988667.db2.gz PTECQPJVAUOSNZ-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO C[NH+]1CCC(N[C@H](c2cccnc2)C2CC2)CC1 ZINC000358357742 385015395 /nfs/dbraw/zinc/01/53/95/385015395.db2.gz RGVKXRVZRUFXKQ-HNNXBMFYSA-N 1 3 245.370 2.217 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2C[C@H](N)C2(C)C)c1 ZINC000404781582 385059189 /nfs/dbraw/zinc/05/91/89/385059189.db2.gz NKGGWAXUSVIZLX-STQMWFEESA-N 1 3 218.344 2.210 20 0 BEADHO CN(CCCF)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000156986897 385036188 /nfs/dbraw/zinc/03/61/88/385036188.db2.gz PRIPDAVVWRXXJE-ZDUSSCGKSA-N 1 3 248.361 2.492 20 0 BEADHO CN(CCCF)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000156986897 385036195 /nfs/dbraw/zinc/03/61/95/385036195.db2.gz PRIPDAVVWRXXJE-ZDUSSCGKSA-N 1 3 248.361 2.492 20 0 BEADHO CC(C)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157359248 385151637 /nfs/dbraw/zinc/15/16/37/385151637.db2.gz YLZGDSMJXRPIBA-ZDUSSCGKSA-N 1 3 210.365 2.345 20 0 BEADHO CC(C)[N@@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000157359248 385151641 /nfs/dbraw/zinc/15/16/41/385151641.db2.gz YLZGDSMJXRPIBA-ZDUSSCGKSA-N 1 3 210.365 2.345 20 0 BEADHO CC(C)[N@H+]1CCC[C@H](N2CCCC2)CC1 ZINC000157359248 385151645 /nfs/dbraw/zinc/15/16/45/385151645.db2.gz YLZGDSMJXRPIBA-ZDUSSCGKSA-N 1 3 210.365 2.345 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000516663568 385152934 /nfs/dbraw/zinc/15/29/34/385152934.db2.gz STKWFTVNBVNGCK-FZKCQIBNSA-N 1 3 244.382 2.477 20 0 BEADHO C1CC12C[C@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424373158 385153523 /nfs/dbraw/zinc/15/35/23/385153523.db2.gz IZVPWJXHJSGRMG-WUHRBBMRSA-N 1 3 220.360 2.049 20 0 BEADHO CCSCCNC1CC[NH+](C(C)C)CC1 ZINC000308803300 385173167 /nfs/dbraw/zinc/17/31/67/385173167.db2.gz LNRKWMUJSLMPQU-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000300990301 385222531 /nfs/dbraw/zinc/22/25/31/385222531.db2.gz LNYLIOUSHRJATR-LBPRGKRZSA-N 1 3 230.396 2.120 20 0 BEADHO COC(C)(C)[C@H](C)NCCC[N@H+](C)C(C)C ZINC000300990301 385222535 /nfs/dbraw/zinc/22/25/35/385222535.db2.gz LNYLIOUSHRJATR-LBPRGKRZSA-N 1 3 230.396 2.120 20 0 BEADHO COC(C)(C)[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000300990301 385222543 /nfs/dbraw/zinc/22/25/43/385222543.db2.gz LNYLIOUSHRJATR-LBPRGKRZSA-N 1 3 230.396 2.120 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)C[C@H]2C)cc1C ZINC000228064159 385323875 /nfs/dbraw/zinc/32/38/75/385323875.db2.gz XERLLWGCXCOUPZ-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)cc1C ZINC000228064159 385323878 /nfs/dbraw/zinc/32/38/78/385323878.db2.gz XERLLWGCXCOUPZ-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H](C[NH2+]C1CCCCCC1)CN(C)C ZINC000308932592 385303662 /nfs/dbraw/zinc/30/36/62/385303662.db2.gz RRYARIARLAIGAJ-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000308967760 385319268 /nfs/dbraw/zinc/31/92/68/385319268.db2.gz NORCMGYZHGIBCI-NEPJUHHUSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H]1CSC[C@H]1C ZINC000308967760 385319272 /nfs/dbraw/zinc/31/92/72/385319272.db2.gz NORCMGYZHGIBCI-NEPJUHHUSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H]1CSC[C@H]1C ZINC000308967760 385319278 /nfs/dbraw/zinc/31/92/78/385319278.db2.gz NORCMGYZHGIBCI-NEPJUHHUSA-N 1 3 230.421 2.058 20 0 BEADHO CC1(C)CCC[C@H](C[N@@H+]2CC[C@H](CN)C2)C1 ZINC000647490854 385281457 /nfs/dbraw/zinc/28/14/57/385281457.db2.gz VOCAWENLJACLBV-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@H](C[N@H+]2CC[C@H](CN)C2)C1 ZINC000647490854 385281462 /nfs/dbraw/zinc/28/14/62/385281462.db2.gz VOCAWENLJACLBV-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2ccc3cnccc3c2)C1 ZINC000647490379 385283197 /nfs/dbraw/zinc/28/31/97/385283197.db2.gz STQAPCZSKNGZLR-CYBMUJFWSA-N 1 3 241.338 2.015 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000228064159 385323870 /nfs/dbraw/zinc/32/38/70/385323870.db2.gz XERLLWGCXCOUPZ-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000193608745 385404538 /nfs/dbraw/zinc/40/45/38/385404538.db2.gz CKIPAKDBYSDDFO-IYBDPMFKSA-N 1 3 244.382 2.297 20 0 BEADHO Cc1ccc(C)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193608745 385404541 /nfs/dbraw/zinc/40/45/41/385404541.db2.gz CKIPAKDBYSDDFO-IYBDPMFKSA-N 1 3 244.382 2.297 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000422824337 385423655 /nfs/dbraw/zinc/42/36/55/385423655.db2.gz NOLDUJYGHHPLDE-VIRABCJISA-N 1 3 248.370 2.232 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000309274950 385508505 /nfs/dbraw/zinc/50/85/05/385508505.db2.gz DRGKZJLJNPHTHH-OPRDCNLKSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)[C@@H]1C ZINC000309352610 385544203 /nfs/dbraw/zinc/54/42/03/385544203.db2.gz NJVAMISZMJEZFW-POQQGIQPSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000309352610 385544205 /nfs/dbraw/zinc/54/42/05/385544205.db2.gz NJVAMISZMJEZFW-POQQGIQPSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000309352610 385544207 /nfs/dbraw/zinc/54/42/07/385544207.db2.gz NJVAMISZMJEZFW-POQQGIQPSA-N 1 3 222.376 2.247 20 0 BEADHO CC1(C)CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000309371248 385553923 /nfs/dbraw/zinc/55/39/23/385553923.db2.gz BZWVDASKOFNOOB-DGCLKSJQSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309371248 385553926 /nfs/dbraw/zinc/55/39/26/385553926.db2.gz BZWVDASKOFNOOB-DGCLKSJQSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000309371248 385553929 /nfs/dbraw/zinc/55/39/29/385553929.db2.gz BZWVDASKOFNOOB-DGCLKSJQSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H](CCCC[NH3+])NCc1ccccc1F ZINC000309378949 385558184 /nfs/dbraw/zinc/55/81/84/385558184.db2.gz QQLNOZIJASCEJR-NSHDSACASA-N 1 3 224.323 2.433 20 0 BEADHO CC[C@@H]([NH2+]C1CCNCC1)c1ccc(OC)cc1 ZINC000038041174 385599315 /nfs/dbraw/zinc/59/93/15/385599315.db2.gz ODEMIXJLEYIEPY-OAHLLOKOSA-N 1 3 248.370 2.488 20 0 BEADHO CCC1CC([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000336677998 385614792 /nfs/dbraw/zinc/61/47/92/385614792.db2.gz CDSHMFFNKFGQGW-HSBZDZAISA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C[C@@H](C)CNC[C@@H](C)c1ccc(F)cc1 ZINC000414848799 385619452 /nfs/dbraw/zinc/61/94/52/385619452.db2.gz XJSPDPKOJCANAQ-VXGBXAGGSA-N 1 3 238.350 2.374 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414848799 385619460 /nfs/dbraw/zinc/61/94/60/385619460.db2.gz XJSPDPKOJCANAQ-VXGBXAGGSA-N 1 3 238.350 2.374 20 0 BEADHO F[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000309505136 385641552 /nfs/dbraw/zinc/64/15/52/385641552.db2.gz MVPOZFQZYKWCAB-VOAKCMCISA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309505136 385641556 /nfs/dbraw/zinc/64/15/56/385641556.db2.gz MVPOZFQZYKWCAB-VOAKCMCISA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000309505136 385641560 /nfs/dbraw/zinc/64/15/60/385641560.db2.gz MVPOZFQZYKWCAB-VOAKCMCISA-N 1 3 226.339 2.093 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCNC1 ZINC000414856184 385708608 /nfs/dbraw/zinc/70/86/08/385708608.db2.gz OASNXIBQYITESJ-OLZOCXBDSA-N 1 3 212.381 2.258 20 0 BEADHO C(CC1CCCC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309588475 385715239 /nfs/dbraw/zinc/71/52/39/385715239.db2.gz XLQHNOFTEHLHMD-OKILXGFUSA-N 1 3 222.376 2.108 20 0 BEADHO CCOC[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000414857721 385731631 /nfs/dbraw/zinc/73/16/31/385731631.db2.gz FLGDADSHCRXJKL-GFCCVEGCSA-N 1 3 228.380 2.053 20 0 BEADHO CNCCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414857719 385731641 /nfs/dbraw/zinc/73/16/41/385731641.db2.gz FKQNXTZNEBGVEW-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO C[NH2+]CCCN[C@H](C)CCc1cccc(F)c1 ZINC000414857719 385731644 /nfs/dbraw/zinc/73/16/44/385731644.db2.gz FKQNXTZNEBGVEW-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000414858294 385733698 /nfs/dbraw/zinc/73/36/98/385733698.db2.gz IUZKPKYPEUHXQI-ZDUSSCGKSA-N 1 3 220.360 2.207 20 0 BEADHO C[NH2+]CCCN[C@@H](C)CCc1ccccc1 ZINC000414858294 385733704 /nfs/dbraw/zinc/73/37/04/385733704.db2.gz IUZKPKYPEUHXQI-ZDUSSCGKSA-N 1 3 220.360 2.207 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414858960 385733997 /nfs/dbraw/zinc/73/39/97/385733997.db2.gz LQUDVNLADCUDAO-ZJUUUORDSA-N 1 3 238.297 2.307 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC000336692395 385734384 /nfs/dbraw/zinc/73/43/84/385734384.db2.gz QGLJMBBBVGDNBD-VXGBXAGGSA-N 1 3 200.370 2.386 20 0 BEADHO CC(C)C[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000336697918 385754362 /nfs/dbraw/zinc/75/43/62/385754362.db2.gz OLNSSCLEFZDSOX-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414862628 385755824 /nfs/dbraw/zinc/75/58/24/385755824.db2.gz VRWSTEAZNNLVMX-UHFFFAOYSA-N 1 3 238.297 2.307 20 0 BEADHO CCC[NH2+]CCNC[C@@H](C)CC1CCOCC1 ZINC000414864556 385764211 /nfs/dbraw/zinc/76/42/11/385764211.db2.gz CWRQGFPJZFYKIS-ZDUSSCGKSA-N 1 3 242.407 2.028 20 0 BEADHO C[C@@H](C[NH3+])CNCc1cccc(C(F)(F)F)c1 ZINC000336700515 385764390 /nfs/dbraw/zinc/76/43/90/385764390.db2.gz JRLZXNDIFOHHPB-VIFPVBQESA-N 1 3 246.276 2.390 20 0 BEADHO CN1CC=C(C[NH2+]CC2CCCCC2)CC1 ZINC000309682855 385787519 /nfs/dbraw/zinc/78/75/19/385787519.db2.gz ZXQBOUUYVPDIQN-UHFFFAOYSA-N 1 3 222.376 2.418 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000414944868 385784105 /nfs/dbraw/zinc/78/41/05/385784105.db2.gz QORUWWDPXWGEBD-RFGFWPKPSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H]2CCN[C@@H](C)C2)cn1 ZINC000414945421 385799640 /nfs/dbraw/zinc/79/96/40/385799640.db2.gz IHBOQVZPJSJIBO-DZGCQCFKSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1ccc(CCCN[C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414945421 385799644 /nfs/dbraw/zinc/79/96/44/385799644.db2.gz IHBOQVZPJSJIBO-DZGCQCFKSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H]2CCN[C@@H](C)C2)cn1 ZINC000414945429 385800807 /nfs/dbraw/zinc/80/08/07/385800807.db2.gz IHBOQVZPJSJIBO-ZFWWWQNUSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1ccc(CCCN[C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC000414945429 385800811 /nfs/dbraw/zinc/80/08/11/385800811.db2.gz IHBOQVZPJSJIBO-ZFWWWQNUSA-N 1 3 247.386 2.053 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CCN1 ZINC000414947432 385801984 /nfs/dbraw/zinc/80/19/84/385801984.db2.gz KVBFWHLEHRSJIX-DAXOMENPSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414947432 385801988 /nfs/dbraw/zinc/80/19/88/385801988.db2.gz KVBFWHLEHRSJIX-DAXOMENPSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414947836 385805019 /nfs/dbraw/zinc/80/50/19/385805019.db2.gz XDYATMKOHDZYRA-SAXRGWBVSA-N 1 3 222.376 2.153 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647800415 385806450 /nfs/dbraw/zinc/80/64/50/385806450.db2.gz AVTYFZJRPLYGSL-TUVASFSCSA-N 1 3 230.355 2.260 20 0 BEADHO C[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)CC(F)F ZINC000647800561 385807588 /nfs/dbraw/zinc/80/75/88/385807588.db2.gz FGYWEMBRTHSLFL-MXWKQRLJSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CCCC1)CN(C)C ZINC000336714659 385811383 /nfs/dbraw/zinc/81/13/83/385811383.db2.gz WCAJIDMFQVVTJW-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C1C[C@@H]([NH2+][C@@H]2CCNC2)C2(C1)CCCCC2 ZINC000313024744 385813679 /nfs/dbraw/zinc/81/36/79/385813679.db2.gz NKXDUEBTVUIQCV-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000414950311 385816407 /nfs/dbraw/zinc/81/64/07/385816407.db2.gz OJRMLVOIYNRJNN-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000112341315 385840127 /nfs/dbraw/zinc/84/01/27/385840127.db2.gz VJNQQHQMQXDHRS-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000112341315 385840130 /nfs/dbraw/zinc/84/01/30/385840130.db2.gz VJNQQHQMQXDHRS-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112341315 385840132 /nfs/dbraw/zinc/84/01/32/385840132.db2.gz VJNQQHQMQXDHRS-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]([NH2+]CC1CCC(F)CC1)[C@H]1CCCN1 ZINC000647804263 385840702 /nfs/dbraw/zinc/84/07/02/385840702.db2.gz MXEYPLSZVRMUNS-YWPUVAFDSA-N 1 3 228.355 2.245 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000414871020 385854855 /nfs/dbraw/zinc/85/48/55/385854855.db2.gz NIWACVXKPLQDDL-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000414871022 385855599 /nfs/dbraw/zinc/85/55/99/385855599.db2.gz NIWACVXKPLQDDL-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCNC1 ZINC000414867059 385794399 /nfs/dbraw/zinc/79/43/99/385794399.db2.gz FYTUOYQBUBMXIX-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250844220 385928502 /nfs/dbraw/zinc/92/85/02/385928502.db2.gz HLXQWGPADKOEAF-PMPSAXMXSA-N 1 3 244.382 2.403 20 0 BEADHO C[C@@H](C[NH3+])CNCc1cc(F)cc2cccnc21 ZINC000414874731 385886637 /nfs/dbraw/zinc/88/66/37/385886637.db2.gz IYTCIYRPAAUXCU-JTQLQIEISA-N 1 3 247.317 2.058 20 0 BEADHO C[C@@H](C[NH3+])CNC/C=C/c1ccc(F)cc1 ZINC000414874698 385887829 /nfs/dbraw/zinc/88/78/29/385887829.db2.gz IUSVSTPNYRQPGU-VUDBWIFFSA-N 1 3 222.307 2.023 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H]1C1CC1 ZINC000414875625 385897210 /nfs/dbraw/zinc/89/72/10/385897210.db2.gz UYHBZNKAQWUSQI-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO CCCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000123648937 385898418 /nfs/dbraw/zinc/89/84/18/385898418.db2.gz YKQAFECUDOOMIC-LBPRGKRZSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000123706854 385904833 /nfs/dbraw/zinc/90/48/33/385904833.db2.gz XXAAOWPQSJOXJT-GFCCVEGCSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)=CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000397769938 385913037 /nfs/dbraw/zinc/91/30/37/385913037.db2.gz UPRNRMIJVLQEFL-QWHCGFSZSA-N 1 3 210.365 2.463 20 0 BEADHO COc1ccccc1/C=C/CN[C@H](C)CC[NH3+] ZINC000414877063 385917096 /nfs/dbraw/zinc/91/70/96/385917096.db2.gz FKRQKCPABNRZCE-HOSRBBHYSA-N 1 3 234.343 2.035 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000414966322 385919596 /nfs/dbraw/zinc/91/95/96/385919596.db2.gz WIEMTSDYAROIND-YVECIDJPSA-N 1 3 212.381 2.399 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCCC2)[C@@H]1CCCN1 ZINC000335033071 385921328 /nfs/dbraw/zinc/92/13/28/385921328.db2.gz OFSBQNVQNBLIQX-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO C([NH2+][C@H]1CCCC12CCCC2)[C@@H]1CCCN1 ZINC000335033072 385922135 /nfs/dbraw/zinc/92/21/35/385922135.db2.gz OFSBQNVQNBLIQX-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000250874404 385927585 /nfs/dbraw/zinc/92/75/85/385927585.db2.gz HVAODTRYECNVOX-OCCSQVGLSA-N 1 3 248.370 2.173 20 0 BEADHO Cc1ccc2cc(CNC[C@@H](C)C[NH3+])ccc2n1 ZINC000414872946 385870653 /nfs/dbraw/zinc/87/06/53/385870653.db2.gz GSSLJBMUHOIXOQ-NSHDSACASA-N 1 3 243.354 2.228 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000338365490 385980309 /nfs/dbraw/zinc/98/03/09/385980309.db2.gz RRRZLWMSCZNAFB-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000338365490 385980320 /nfs/dbraw/zinc/98/03/20/385980320.db2.gz RRRZLWMSCZNAFB-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000338365487 385981769 /nfs/dbraw/zinc/98/17/69/385981769.db2.gz RRRZLWMSCZNAFB-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000338365487 385981775 /nfs/dbraw/zinc/98/17/75/385981775.db2.gz RRRZLWMSCZNAFB-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO COc1ccccc1/C=C/C[NH2+]CC1(N)CCC1 ZINC000414878322 385937692 /nfs/dbraw/zinc/93/76/92/385937692.db2.gz HCLNEPOWAXKREI-QPJJXVBHSA-N 1 3 246.354 2.179 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+]CC1(N)CCC1 ZINC000335054659 385953682 /nfs/dbraw/zinc/95/36/82/385953682.db2.gz SXYCVYMIDDIMCE-AWEZNQCLSA-N 1 3 230.355 2.453 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304648724 385954846 /nfs/dbraw/zinc/95/48/46/385954846.db2.gz YAYJLFNFVBABBH-BFHYXJOUSA-N 1 3 224.392 2.495 20 0 BEADHO Cc1ccc(CNC[C@H](C)C[NH3+])cc1Cl ZINC000414881853 386005402 /nfs/dbraw/zinc/00/54/02/386005402.db2.gz SVBAPPMXFKUUCV-SECBINFHSA-N 1 3 226.751 2.333 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000414980564 386056268 /nfs/dbraw/zinc/05/62/68/386056268.db2.gz PRFDNQOJQZDROC-ZDUSSCGKSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414882852 386023927 /nfs/dbraw/zinc/02/39/27/386023927.db2.gz USHJEUBZBAZQNW-UONOGXRCSA-N 1 3 234.387 2.440 20 0 BEADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000414185506 386025152 /nfs/dbraw/zinc/02/51/52/386025152.db2.gz OTDAYPUSAYMWGX-UONOGXRCSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185506 386025155 /nfs/dbraw/zinc/02/51/55/386025155.db2.gz OTDAYPUSAYMWGX-UONOGXRCSA-N 1 3 247.386 2.464 20 0 BEADHO Fc1ccc2c(c1)CC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000335061496 386026832 /nfs/dbraw/zinc/02/68/32/386026832.db2.gz WZRXITZCYLFJRN-HNNXBMFYSA-N 1 3 246.329 2.322 20 0 BEADHO c1ccc2c(c1)CCC(N[C@@H]1CCC[NH2+]C1)CC2 ZINC000335063435 386031942 /nfs/dbraw/zinc/03/19/42/386031942.db2.gz PMLPLVKXCFTFDE-MRXNPFEDSA-N 1 3 244.382 2.276 20 0 BEADHO CCc1cc(OC)ccc1C[NH2+]CC1(N)CCC1 ZINC000414883498 386032706 /nfs/dbraw/zinc/03/27/06/386032706.db2.gz VEIBYGQDMWUISC-UHFFFAOYSA-N 1 3 248.370 2.229 20 0 BEADHO C[C@@H](C[NH2+]C/C=C/c1ccccc1)CN(C)C ZINC000291762391 386040377 /nfs/dbraw/zinc/04/03/77/386040377.db2.gz RRHKEBGDNZIGKA-RNVIBTMRSA-N 1 3 232.371 2.487 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cccc2cccnc21 ZINC000414980521 386055212 /nfs/dbraw/zinc/05/52/12/386055212.db2.gz PNWZSAQCABYQMX-CYBMUJFWSA-N 1 3 229.327 2.062 20 0 BEADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@@H]3CCNC3)C2)cc1 ZINC000414889083 386106024 /nfs/dbraw/zinc/10/60/24/386106024.db2.gz SPDZRFKCYIEFBF-ARFHVFGLSA-N 1 3 244.382 2.349 20 0 BEADHO c1ccc(C[C@@H]2CC[C@H]([NH2+][C@@H]3CCNC3)C2)cc1 ZINC000414889084 386107150 /nfs/dbraw/zinc/10/71/50/386107150.db2.gz SPDZRFKCYIEFBF-HRCADAONSA-N 1 3 244.382 2.349 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038041493 386117189 /nfs/dbraw/zinc/11/71/89/386117189.db2.gz HHSDHDUBUOEUFB-LBPRGKRZSA-N 1 3 218.344 2.398 20 0 BEADHO CC[C@@H](C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336729572 386117198 /nfs/dbraw/zinc/11/71/98/386117198.db2.gz JDKSUNLPZLSPQU-NEPJUHHUSA-N 1 3 210.365 2.273 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000414982126 386063150 /nfs/dbraw/zinc/06/31/50/386063150.db2.gz RLBPOAWFLJGYRA-ZDUSSCGKSA-N 1 3 220.360 2.439 20 0 BEADHO Cc1ccccc1C[C@H](C)NC[C@@H]([NH3+])C1CC1 ZINC000414885826 386068984 /nfs/dbraw/zinc/06/89/84/386068984.db2.gz GTHYTZFCPBHHJO-SWLSCSKDSA-N 1 3 232.371 2.253 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414981763 386069502 /nfs/dbraw/zinc/06/95/02/386069502.db2.gz CASRPWIYWAAGBE-LLVKDONJSA-N 1 3 249.383 2.432 20 0 BEADHO Cc1cncc([C@@H](C)NCC2=CC[N@H+](C)CC2)c1 ZINC000274352042 386090789 /nfs/dbraw/zinc/09/07/89/386090789.db2.gz GMZXRWSXGODEKH-CYBMUJFWSA-N 1 3 245.370 2.303 20 0 BEADHO Cc1cncc([C@@H](C)NCC2=CC[N@@H+](C)CC2)c1 ZINC000274352042 386090796 /nfs/dbraw/zinc/09/07/96/386090796.db2.gz GMZXRWSXGODEKH-CYBMUJFWSA-N 1 3 245.370 2.303 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280086 386092223 /nfs/dbraw/zinc/09/22/23/386092223.db2.gz BYRGRJHGFINFQL-FVCCEPFGSA-N 1 3 228.355 2.197 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280086 386092226 /nfs/dbraw/zinc/09/22/26/386092226.db2.gz BYRGRJHGFINFQL-FVCCEPFGSA-N 1 3 228.355 2.197 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccsc1 ZINC000414984337 386092948 /nfs/dbraw/zinc/09/29/48/386092948.db2.gz GDMCCDZGPRUZDM-PWSUYJOCSA-N 1 3 226.389 2.396 20 0 BEADHO c1ccc(C[C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647876845 386145700 /nfs/dbraw/zinc/14/57/00/386145700.db2.gz BCUXBKUZSJYEHB-JKSUJKDBSA-N 1 3 244.382 2.161 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000414673760 386147303 /nfs/dbraw/zinc/14/73/03/386147303.db2.gz JUHVZDZUKZOVCK-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO NCCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000414673760 386147306 /nfs/dbraw/zinc/14/73/06/386147306.db2.gz JUHVZDZUKZOVCK-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000414892271 386150980 /nfs/dbraw/zinc/15/09/80/386150980.db2.gz XTTFRFQIQSMPEX-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCNC1 ZINC000414893252 386154177 /nfs/dbraw/zinc/15/41/77/386154177.db2.gz YYHYHOCMTMXVOI-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO [NH3+]CCCN1CCC[C@H]1c1cccs1 ZINC000414685592 386172266 /nfs/dbraw/zinc/17/22/66/386172266.db2.gz ZXVBHUQBQHSKIE-JTQLQIEISA-N 1 3 210.346 2.234 20 0 BEADHO CC[C@@H]([NH3+])CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414994659 386172313 /nfs/dbraw/zinc/17/23/13/386172313.db2.gz VCFXFHDMQJUKFA-MJBXVCDLSA-N 1 3 218.344 2.117 20 0 BEADHO [NH3+]CCCN1CCC[C@@H]1c1cccs1 ZINC000414685593 386172852 /nfs/dbraw/zinc/17/28/52/386172852.db2.gz ZXVBHUQBQHSKIE-SNVBAGLBSA-N 1 3 210.346 2.234 20 0 BEADHO C[C@H](CC[NH3+])NC/C=C/c1ccc(F)cc1F ZINC000414895404 386184963 /nfs/dbraw/zinc/18/49/63/386184963.db2.gz NNACRKREWIRDNY-VMZHVLLKSA-N 1 3 240.297 2.305 20 0 BEADHO CC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000394010667 386186188 /nfs/dbraw/zinc/18/61/88/386186188.db2.gz DPPKLRGRZOSJRD-RDBSUJKOSA-N 1 3 248.370 2.270 20 0 BEADHO [NH3+]CCCN1CCC[C@@H]1c1ccsc1 ZINC000414670353 386134555 /nfs/dbraw/zinc/13/45/55/386134555.db2.gz DBMPHTQXLYFYJT-LLVKDONJSA-N 1 3 210.346 2.234 20 0 BEADHO N[C@@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000414891005 386137653 /nfs/dbraw/zinc/13/76/53/386137653.db2.gz HUYGYXZONSHKOI-GBXSZLQWSA-N 1 3 216.328 2.027 20 0 BEADHO N[C@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000414891008 386138605 /nfs/dbraw/zinc/13/86/05/386138605.db2.gz HUYGYXZONSHKOI-HJHHMULASA-N 1 3 216.328 2.027 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000647874665 386143729 /nfs/dbraw/zinc/14/37/29/386143729.db2.gz KUMBBEGGYWAXCY-SWLSCSKDSA-N 1 3 230.355 2.215 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000647874663 386144048 /nfs/dbraw/zinc/14/40/48/386144048.db2.gz KUMBBEGGYWAXCY-DOMZBBRYSA-N 1 3 230.355 2.215 20 0 BEADHO Cc1cc(C)c(C[NH2+]C[C@H](N)C2CC2)c(C)c1 ZINC000414896722 386208164 /nfs/dbraw/zinc/20/81/64/386208164.db2.gz PTDILRGYAGRUTE-HNNXBMFYSA-N 1 3 232.371 2.439 20 0 BEADHO CCc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131547183 386209338 /nfs/dbraw/zinc/20/93/38/386209338.db2.gz HMBKIVGFRFODGX-SWLSCSKDSA-N 1 3 232.371 2.418 20 0 BEADHO CCN(CC)CCC[NH2+]CCC1CCOCC1 ZINC000310583996 386210971 /nfs/dbraw/zinc/21/09/71/386210971.db2.gz SYIKZARUSIFPED-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCN ZINC000414707050 386216387 /nfs/dbraw/zinc/21/63/87/386216387.db2.gz NJOIFMFQZSCKFU-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCN ZINC000414707050 386216388 /nfs/dbraw/zinc/21/63/88/386216388.db2.gz NJOIFMFQZSCKFU-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1[C@@H](c2ccccc2)CCN1CCC[NH3+] ZINC000414707050 386216390 /nfs/dbraw/zinc/21/63/90/386216390.db2.gz NJOIFMFQZSCKFU-JSGCOSHPSA-N 1 3 218.344 2.213 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)c2ccccc21 ZINC000132061096 386219788 /nfs/dbraw/zinc/21/97/88/386219788.db2.gz SWEPYNYPJLXDLL-GLQYFDAESA-N 1 3 246.354 2.290 20 0 BEADHO COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H](C)N ZINC000415000444 386223416 /nfs/dbraw/zinc/22/34/16/386223416.db2.gz BDFFPQADNYBIJB-CNNCQTGTSA-N 1 3 234.343 2.034 20 0 BEADHO COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](CN)C2)cc1 ZINC000347046548 386228858 /nfs/dbraw/zinc/22/88/58/386228858.db2.gz OPMBRPUMWMMSBY-QWHCGFSZSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@@H](C)C[N@H+]2CC[C@H](CN)C2)cc1 ZINC000347046548 386228862 /nfs/dbraw/zinc/22/88/62/386228862.db2.gz OPMBRPUMWMMSBY-QWHCGFSZSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@@H](C)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000347046548 386228869 /nfs/dbraw/zinc/22/88/69/386228869.db2.gz OPMBRPUMWMMSBY-QWHCGFSZSA-N 1 3 248.370 2.079 20 0 BEADHO COc1c(C)cc(CN2CC[C@@H](C[NH3+])C2)cc1C ZINC000347096019 386248195 /nfs/dbraw/zinc/24/81/95/386248195.db2.gz ITAJNOKAPPUJFS-ZDUSSCGKSA-N 1 3 248.370 2.093 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1C[C@H](OCC)C1(C)C ZINC000414693093 386193583 /nfs/dbraw/zinc/19/35/83/386193583.db2.gz DLNHAMLHEMFOJN-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1C[C@H](OCC)C1(C)C ZINC000414693093 386193590 /nfs/dbraw/zinc/19/35/90/386193590.db2.gz DLNHAMLHEMFOJN-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO CCCN(CCC[NH3+])[C@H]1C[C@H](OCC)C1(C)C ZINC000414693093 386193594 /nfs/dbraw/zinc/19/35/94/386193594.db2.gz DLNHAMLHEMFOJN-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO CCCCO[C@H]1C[C@@H]([N@H+](C)CCCN)C1(C)C ZINC000414696039 386197255 /nfs/dbraw/zinc/19/72/55/386197255.db2.gz AULASGGQKUCTAW-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCN)C1(C)C ZINC000414696039 386197260 /nfs/dbraw/zinc/19/72/60/386197260.db2.gz AULASGGQKUCTAW-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414730037 386282119 /nfs/dbraw/zinc/28/21/19/386282119.db2.gz GIFQTBMEDFWVBL-HRCADAONSA-N 1 3 244.382 2.461 20 0 BEADHO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](C)N ZINC000647885813 386286005 /nfs/dbraw/zinc/28/60/05/386286005.db2.gz SPMDJOGBIFSYLQ-SMDDNHRTSA-N 1 3 218.344 2.343 20 0 BEADHO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](C)N ZINC000647885813 386286007 /nfs/dbraw/zinc/28/60/07/386286007.db2.gz SPMDJOGBIFSYLQ-SMDDNHRTSA-N 1 3 218.344 2.343 20 0 BEADHO Cc1ccc(C[C@H](C)N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886090 386293589 /nfs/dbraw/zinc/29/35/89/386293589.db2.gz PZSZCUFLZUATQV-GOEBONIOSA-N 1 3 246.398 2.467 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000391466633 386324907 /nfs/dbraw/zinc/32/49/07/386324907.db2.gz QJAWKAMHTIVXGP-YPMHNXCESA-N 1 3 222.376 2.284 20 0 BEADHO CCc1cc(OC)ccc1CN[C@@H](C)CC[NH3+] ZINC000414901542 386307124 /nfs/dbraw/zinc/30/71/24/386307124.db2.gz XFBPVNUIMIWRIW-NSHDSACASA-N 1 3 236.359 2.085 20 0 BEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC1CC1 ZINC000336652059 386267252 /nfs/dbraw/zinc/26/72/52/386267252.db2.gz WFKANKVNJCPTMR-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CN(CC[C@@H]1CCCC[N@H+]1C)CC1CC1 ZINC000336652059 386267256 /nfs/dbraw/zinc/26/72/56/386267256.db2.gz WFKANKVNJCPTMR-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1nc2ccc(C[NH2+][C@@H](C)[C@H](C)N)cc2s1 ZINC000415006862 386345650 /nfs/dbraw/zinc/34/56/50/386345650.db2.gz CAPIABQYPFOQIP-IUCAKERBSA-N 1 3 249.383 2.430 20 0 BEADHO Cc1nc2ccc(C[NH2+][C@H](C)[C@H](C)N)cc2s1 ZINC000415006859 386347711 /nfs/dbraw/zinc/34/77/11/386347711.db2.gz CAPIABQYPFOQIP-DTWKUNHWSA-N 1 3 249.383 2.430 20 0 BEADHO CC[C@H]1Cc2ccccc2CN1C[C@H]1CC[NH2+]C1 ZINC000647989239 386348111 /nfs/dbraw/zinc/34/81/11/386348111.db2.gz ZUUBRVLXARIXIJ-BBRMVZONSA-N 1 3 244.382 2.433 20 0 BEADHO Cc1cc(C[NH2+][C@H](C)[C@@H](C)N)cc2cccnc12 ZINC000415007225 386354565 /nfs/dbraw/zinc/35/45/65/386354565.db2.gz CKLDMSHDABSCBD-VXGBXAGGSA-N 1 3 243.354 2.369 20 0 BEADHO [NH3+]C1CCN(CCCCC2CCOCC2)CC1 ZINC000310070350 386357874 /nfs/dbraw/zinc/35/78/74/386357874.db2.gz LOUKIOHEOWCENZ-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO C[C@]1(c2ccccc2)CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890173 386367256 /nfs/dbraw/zinc/36/72/56/386367256.db2.gz WSOIPYCXMNFCPP-ZBFHGGJFSA-N 1 3 244.382 2.260 20 0 BEADHO CC(C)C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890132 386368039 /nfs/dbraw/zinc/36/80/39/386368039.db2.gz TWIFOQDGLBBYHH-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CCO1 ZINC000414907741 386393505 /nfs/dbraw/zinc/39/35/05/386393505.db2.gz AVSPSVOQQYNIHL-FQUUOJAGSA-N 1 3 240.391 2.050 20 0 BEADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1C ZINC000414908483 386398653 /nfs/dbraw/zinc/39/86/53/386398653.db2.gz BKXOZDUKMBFKHT-KGLIPLIRSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccnc1 ZINC000160881192 386402528 /nfs/dbraw/zinc/40/25/28/386402528.db2.gz LKRGSACBTKPNEZ-SGMGOOAPSA-N 1 3 233.359 2.250 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CCCC12CCC2 ZINC000414762665 386423800 /nfs/dbraw/zinc/42/38/00/386423800.db2.gz WKDCILUERNWBHH-LBPRGKRZSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H](CCCC[NH3+])[NH2+]Cc1cc([O-])cc(F)c1 ZINC000415011269 386482447 /nfs/dbraw/zinc/48/24/47/386482447.db2.gz HGAYNBYKMAJJFM-SNVBAGLBSA-N 1 3 240.322 2.138 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345929 386488328 /nfs/dbraw/zinc/48/83/28/386488328.db2.gz YMAJJKXIYJALCK-YNEHKIRRSA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345929 386488335 /nfs/dbraw/zinc/48/83/35/386488335.db2.gz YMAJJKXIYJALCK-YNEHKIRRSA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345929 386488338 /nfs/dbraw/zinc/48/83/38/386488338.db2.gz YMAJJKXIYJALCK-YNEHKIRRSA-N 1 3 220.360 2.003 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CCc1ccsc1 ZINC000415013196 386496680 /nfs/dbraw/zinc/49/66/80/386496680.db2.gz KNZHREREWXJIOY-GMTAPVOTSA-N 1 3 226.389 2.395 20 0 BEADHO Cc1ccc2cc(C[NH2+][C@@H](C)[C@H](C)N)ccc2n1 ZINC000415014132 386497973 /nfs/dbraw/zinc/49/79/73/386497973.db2.gz LHZQWYKCAWJLGW-RYUDHWBXSA-N 1 3 243.354 2.369 20 0 BEADHO Cc1ccc2cc(C[NH2+][C@H](C)[C@@H](C)N)ccc2n1 ZINC000415014134 386498237 /nfs/dbraw/zinc/49/82/37/386498237.db2.gz LHZQWYKCAWJLGW-VXGBXAGGSA-N 1 3 243.354 2.369 20 0 BEADHO C[C@H]([NH3+])[C@H](C)NC[C@@H](C)c1ccc(F)cc1 ZINC000415018318 386502498 /nfs/dbraw/zinc/50/24/98/386502498.db2.gz QRBGRLQCMXOIHL-VWYCJHECSA-N 1 3 224.323 2.255 20 0 BEADHO CCC[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415019931 386508493 /nfs/dbraw/zinc/50/84/93/386508493.db2.gz AJFDIMPRXVOPCL-WCVJEAGWSA-N 1 3 244.382 2.205 20 0 BEADHO CC(C)[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415020398 386509029 /nfs/dbraw/zinc/50/90/29/386509029.db2.gz ATTYKMLYHJQJJJ-CAOSSQGBSA-N 1 3 244.382 2.234 20 0 BEADHO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@@H](C)N ZINC000415022561 386511256 /nfs/dbraw/zinc/51/12/56/386511256.db2.gz VLXACXXRLZXCMW-ZJUUUORDSA-N 1 3 226.751 2.474 20 0 BEADHO Cc1cc(Cl)ccc1C[NH2+][C@H](C)[C@H](C)N ZINC000415022560 386512468 /nfs/dbraw/zinc/51/24/68/386512468.db2.gz VLXACXXRLZXCMW-VHSXEESVSA-N 1 3 226.751 2.474 20 0 BEADHO CCCc1csc(CN[C@H](C)CCC[NH3+])n1 ZINC000415024785 386514577 /nfs/dbraw/zinc/51/45/77/386514577.db2.gz PNIUYRNICFJSPX-SNVBAGLBSA-N 1 3 241.404 2.313 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@H](C)[C@H](C)[NH3+] ZINC000415023604 386514706 /nfs/dbraw/zinc/51/47/06/386514706.db2.gz XGVZTVZHGREGGD-OUAUKWLOSA-N 1 3 224.323 2.082 20 0 BEADHO CC(C)CCC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031237 386518263 /nfs/dbraw/zinc/51/82/63/386518263.db2.gz GADSFSNIUIKBCY-NDBYEHHHSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163470351 386523681 /nfs/dbraw/zinc/52/36/81/386523681.db2.gz HGWYNHIXNXPMCB-DZGCQCFKSA-N 1 3 232.371 2.412 20 0 BEADHO [NH3+]C[C@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC000415037384 386525115 /nfs/dbraw/zinc/52/51/15/386525115.db2.gz MGPYEKUCTOZQAY-UWVGGRQHSA-N 1 3 240.297 2.182 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)[C@H](C)N ZINC000415010361 386455981 /nfs/dbraw/zinc/45/59/81/386455981.db2.gz OYWILMCAJZEGFN-WDEREUQCSA-N 1 3 229.327 2.060 20 0 BEADHO CCSCC[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000336781310 386584894 /nfs/dbraw/zinc/58/48/94/386584894.db2.gz UINJDPPNPLQGJF-CYBMUJFWSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCCNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000336781310 386584915 /nfs/dbraw/zinc/58/49/15/386584915.db2.gz UINJDPPNPLQGJF-CYBMUJFWSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCCNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000336781310 386584927 /nfs/dbraw/zinc/58/49/27/386584927.db2.gz UINJDPPNPLQGJF-CYBMUJFWSA-N 1 3 244.448 2.450 20 0 BEADHO CCc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000414800601 386586894 /nfs/dbraw/zinc/58/68/94/386586894.db2.gz SFMJEHLLMIBZFK-CQSZACIVSA-N 1 3 220.360 2.322 20 0 BEADHO C[C@@H]([NH2+]CCCN)C(C)(C)c1ccccc1 ZINC000415080392 386594095 /nfs/dbraw/zinc/59/40/95/386594095.db2.gz JEOGPDCQRJJAFO-GFCCVEGCSA-N 1 3 220.360 2.291 20 0 BEADHO C[C@@H](NCCC[NH3+])C(C)(C)c1ccccc1 ZINC000415080392 386594101 /nfs/dbraw/zinc/59/41/01/386594101.db2.gz JEOGPDCQRJJAFO-GFCCVEGCSA-N 1 3 220.360 2.291 20 0 BEADHO CCC([NH3+])(CC)CN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000414802534 386595714 /nfs/dbraw/zinc/59/57/14/386595714.db2.gz BVUFOQMXCDCQJP-OLZOCXBDSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046545 386532594 /nfs/dbraw/zinc/53/25/94/386532594.db2.gz XLPXBTNZQBOPPA-QSLWVIQJSA-N 1 3 224.392 2.255 20 0 BEADHO c1ccc2c(c1)CCCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000062944686 386534487 /nfs/dbraw/zinc/53/44/87/386534487.db2.gz FMCXFELUBFBZQN-AWEZNQCLSA-N 1 3 244.382 2.434 20 0 BEADHO c1ccc2c(c1)CCC[N@@H+](C[C@H]1CCCNC1)C2 ZINC000062944686 386534492 /nfs/dbraw/zinc/53/44/92/386534492.db2.gz FMCXFELUBFBZQN-AWEZNQCLSA-N 1 3 244.382 2.434 20 0 BEADHO c1ccc2c(c1)CCC[N@H+](C[C@H]1CCCNC1)C2 ZINC000062944686 386534494 /nfs/dbraw/zinc/53/44/94/386534494.db2.gz FMCXFELUBFBZQN-AWEZNQCLSA-N 1 3 244.382 2.434 20 0 BEADHO c1ccc2c(c1)CCCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000062944685 386534830 /nfs/dbraw/zinc/53/48/30/386534830.db2.gz FMCXFELUBFBZQN-CQSZACIVSA-N 1 3 244.382 2.434 20 0 BEADHO c1ccc2c(c1)CCC[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000062944685 386534836 /nfs/dbraw/zinc/53/48/36/386534836.db2.gz FMCXFELUBFBZQN-CQSZACIVSA-N 1 3 244.382 2.434 20 0 BEADHO c1ccc2c(c1)CCC[N@H+](C[C@@H]1CCCNC1)C2 ZINC000062944685 386534841 /nfs/dbraw/zinc/53/48/41/386534841.db2.gz FMCXFELUBFBZQN-CQSZACIVSA-N 1 3 244.382 2.434 20 0 BEADHO CC1(C)CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000415066488 386548635 /nfs/dbraw/zinc/54/86/35/386548635.db2.gz IWRHKTRGNOUUGB-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CCC1CC1)N[C@H]1CCCC[NH2+]C1 ZINC000415070314 386551215 /nfs/dbraw/zinc/55/12/15/386551215.db2.gz IFEDAHNWTXPLKG-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(NCC(C)(C)[NH3+])c(CN(C)C)c1 ZINC000415122197 386625958 /nfs/dbraw/zinc/62/59/58/386625958.db2.gz NRMIFICTIQYRNV-UHFFFAOYSA-N 1 3 235.375 2.206 20 0 BEADHO Cc1ccccc1C1(C[NH2+]C2CCNCC2)CC1 ZINC000415122131 386628379 /nfs/dbraw/zinc/62/83/79/386628379.db2.gz ZVHZAPMSUPEKEX-UHFFFAOYSA-N 1 3 244.382 2.368 20 0 BEADHO Cc1ccccc1C1(CNC2CC[NH2+]CC2)CC1 ZINC000415122131 386628388 /nfs/dbraw/zinc/62/83/88/386628388.db2.gz ZVHZAPMSUPEKEX-UHFFFAOYSA-N 1 3 244.382 2.368 20 0 BEADHO C[C@@H](C[N@H+](C)CCN)c1cccc(Cl)c1 ZINC000415115674 386630478 /nfs/dbraw/zinc/63/04/78/386630478.db2.gz XAASQNJSVYACRE-JTQLQIEISA-N 1 3 226.751 2.334 20 0 BEADHO C[C@@H](C[N@@H+](C)CCN)c1cccc(Cl)c1 ZINC000415115674 386630485 /nfs/dbraw/zinc/63/04/85/386630485.db2.gz XAASQNJSVYACRE-JTQLQIEISA-N 1 3 226.751 2.334 20 0 BEADHO C[NH2+]CCCN(C)C[C@H](C)Cc1ccccc1 ZINC000415131597 386634817 /nfs/dbraw/zinc/63/48/17/386634817.db2.gz ZRVSXTJMLWYPIC-CQSZACIVSA-N 1 3 234.387 2.407 20 0 BEADHO CNCCC[N@H+](C)C[C@H](C)Cc1ccccc1 ZINC000415131597 386634824 /nfs/dbraw/zinc/63/48/24/386634824.db2.gz ZRVSXTJMLWYPIC-CQSZACIVSA-N 1 3 234.387 2.407 20 0 BEADHO CNCCC[N@@H+](C)C[C@H](C)Cc1ccccc1 ZINC000415131597 386634828 /nfs/dbraw/zinc/63/48/28/386634828.db2.gz ZRVSXTJMLWYPIC-CQSZACIVSA-N 1 3 234.387 2.407 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC12CCC2)CN(C)C ZINC000336758914 386644669 /nfs/dbraw/zinc/64/46/69/386644669.db2.gz KXQGXZKTUSBWMS-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO CCC([NH3+])(CC)CNC1Cc2ccccc2C1 ZINC000414816305 386653480 /nfs/dbraw/zinc/65/34/80/386653480.db2.gz ZWMFCCNTXUWOON-UHFFFAOYSA-N 1 3 232.371 2.261 20 0 BEADHO Cc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000415085431 386601188 /nfs/dbraw/zinc/60/11/88/386601188.db2.gz IEQUUNLPLJOHHA-GOEBONIOSA-N 1 3 246.398 2.434 20 0 BEADHO C[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)Cc1ccccc1 ZINC000414922967 386602045 /nfs/dbraw/zinc/60/20/45/386602045.db2.gz GPHDQXSXADLLOA-OFQRWUPVSA-N 1 3 246.398 2.453 20 0 BEADHO Cc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000415085434 386602350 /nfs/dbraw/zinc/60/23/50/386602350.db2.gz IEQUUNLPLJOHHA-HOCLYGCPSA-N 1 3 246.398 2.434 20 0 BEADHO C([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCNC1 ZINC000335519371 386656534 /nfs/dbraw/zinc/65/65/34/386656534.db2.gz ORFCYKRNHMUYAR-OLZOCXBDSA-N 1 3 222.376 2.298 20 0 BEADHO Cc1ccccc1OCCC[NH2+]C1CCNCC1 ZINC000415086915 386605403 /nfs/dbraw/zinc/60/54/03/386605403.db2.gz VINFEUNEZRHAHU-UHFFFAOYSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1ccccc1OCCCNC1CC[NH2+]CC1 ZINC000415086915 386605408 /nfs/dbraw/zinc/60/54/08/386605408.db2.gz VINFEUNEZRHAHU-UHFFFAOYSA-N 1 3 248.370 2.106 20 0 BEADHO COc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1C ZINC000414803867 386607093 /nfs/dbraw/zinc/60/70/93/386607093.db2.gz OIXCADCGJDIFTO-KBPBESRZSA-N 1 3 248.370 2.221 20 0 BEADHO CCCC[C@@H](COC)[NH2+]CC(N)(CC)CC ZINC000414804953 386609600 /nfs/dbraw/zinc/60/96/00/386609600.db2.gz FRNYCAIQIAXGLU-LBPRGKRZSA-N 1 3 230.396 2.299 20 0 BEADHO CCCC[C@@H](COC)NCC([NH3+])(CC)CC ZINC000414804953 386609605 /nfs/dbraw/zinc/60/96/05/386609605.db2.gz FRNYCAIQIAXGLU-LBPRGKRZSA-N 1 3 230.396 2.299 20 0 BEADHO C[C@H](CNCC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000415098547 386616594 /nfs/dbraw/zinc/61/65/94/386616594.db2.gz FOEWWTANPCMUDD-SECBINFHSA-N 1 3 242.313 2.395 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCC(F)(F)F ZINC000414820215 386664139 /nfs/dbraw/zinc/66/41/39/386664139.db2.gz JEZHJHJEGZGSKG-YUMQZZPRSA-N 1 3 212.259 2.044 20 0 BEADHO Cc1ccccc1C[C@@H](C)NCC[C@H](C)[NH3+] ZINC000414820165 386664440 /nfs/dbraw/zinc/66/44/40/386664440.db2.gz IWRYBEYWNNADIK-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+]CC[C@H](C)N ZINC000414820165 386664449 /nfs/dbraw/zinc/66/44/49/386664449.db2.gz IWRYBEYWNNADIK-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](N)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414820189 386665927 /nfs/dbraw/zinc/66/59/27/386665927.db2.gz JBLYACMVLLXHJF-LBPRGKRZSA-N 1 3 240.391 2.053 20 0 BEADHO C[NH2+]CCNC[C@H](C)CC1CCCCC1 ZINC000414822758 386669923 /nfs/dbraw/zinc/66/99/23/386669923.db2.gz GXMACWSEFJHIJO-GFCCVEGCSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCNC1 ZINC000414824028 386680640 /nfs/dbraw/zinc/68/06/40/386680640.db2.gz PWWKNZCHHMMNDI-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CCC1CCC([NH2+]C[C@H](C)CNC)CC1 ZINC000414833026 386709972 /nfs/dbraw/zinc/70/99/72/386709972.db2.gz FXGASDLPJVJWMB-PNESKVBLSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]CC[C@H](C)N ZINC000414823410 386685398 /nfs/dbraw/zinc/68/53/98/386685398.db2.gz OMXAKGCGZQXINE-JSGCOSHPSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H](Cc1ccccc1)NCC[C@H](C)[NH3+] ZINC000414823410 386685405 /nfs/dbraw/zinc/68/54/05/386685405.db2.gz OMXAKGCGZQXINE-JSGCOSHPSA-N 1 3 220.360 2.335 20 0 BEADHO CC(C)(C)NCC[NH2+]CCc1ccccc1 ZINC000066184161 386686693 /nfs/dbraw/zinc/68/66/93/386686693.db2.gz WWAMHJFPHSCELV-UHFFFAOYSA-N 1 3 220.360 2.207 20 0 BEADHO Clc1ccsc1CNCC[C@H]1CC[NH2+]C1 ZINC000414826184 386693568 /nfs/dbraw/zinc/69/35/68/386693568.db2.gz DZGTXGSBHNONGF-SECBINFHSA-N 1 3 244.791 2.491 20 0 BEADHO Cc1cccc(C)c1CNC[C@@H]1CCC[NH2+]C1 ZINC000414826112 386693635 /nfs/dbraw/zinc/69/36/35/386693635.db2.gz INCDBCIHKDPNQW-CQSZACIVSA-N 1 3 232.371 2.393 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000414833671 386712113 /nfs/dbraw/zinc/71/21/13/386712113.db2.gz STFKRFKASILRDU-XQQFMLRXSA-N 1 3 212.381 2.256 20 0 BEADHO CCCC[C@H](COC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414829121 386701636 /nfs/dbraw/zinc/70/16/36/386701636.db2.gz NDKLEEAIWZIFEB-RBKKPWLPSA-N 1 3 240.391 2.064 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000414833686 386712280 /nfs/dbraw/zinc/71/22/80/386712280.db2.gz GQACPMYDYDOSFD-YNEHKIRRSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000414836558 386731127 /nfs/dbraw/zinc/73/11/27/386731127.db2.gz JPMHRYPMFWNTMF-AVGNSLFASA-N 1 3 212.381 2.258 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000414836561 386731931 /nfs/dbraw/zinc/73/19/31/386731931.db2.gz JPMHRYPMFWNTMF-XQQFMLRXSA-N 1 3 212.381 2.258 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414834328 386724045 /nfs/dbraw/zinc/72/40/45/386724045.db2.gz TWMRPRRIXUGWJC-HUUCEWRRSA-N 1 3 232.371 2.207 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414834329 386724276 /nfs/dbraw/zinc/72/42/76/386724276.db2.gz TWMRPRRIXUGWJC-LSDHHAIUSA-N 1 3 232.371 2.207 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000414839739 386744667 /nfs/dbraw/zinc/74/46/67/386744667.db2.gz MOWRJAMVIJLKOF-DTWKUNHWSA-N 1 3 226.286 2.163 20 0 BEADHO CCC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414840205 386749193 /nfs/dbraw/zinc/74/91/93/386749193.db2.gz YENHDKOEIOKAJC-FOSCPWQOSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000414841289 386754647 /nfs/dbraw/zinc/75/46/47/386754647.db2.gz HOBFVCBRHQVGPR-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1 ZINC000414841289 386754650 /nfs/dbraw/zinc/75/46/50/386754650.db2.gz HOBFVCBRHQVGPR-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414841252 386755229 /nfs/dbraw/zinc/75/52/29/386755229.db2.gz ZBUQDSDYOROJFI-MSXOGSJSSA-N 1 3 208.349 2.048 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000414843094 386758065 /nfs/dbraw/zinc/75/80/65/386758065.db2.gz JJDDOWGXIXYKPD-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C1CC(N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000335538118 386741543 /nfs/dbraw/zinc/74/15/43/386741543.db2.gz GINYRYKMHIZAMQ-XVSSEFHLSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000336669539 386801397 /nfs/dbraw/zinc/80/13/97/386801397.db2.gz AMPBCPHWPHYODT-MELADBBJSA-N 1 3 242.407 2.312 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CNC ZINC000414847147 386832497 /nfs/dbraw/zinc/83/24/97/386832497.db2.gz VIMOMEFUEMFBAE-DZGCQCFKSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@H](Cc1ccccc1)NC[C@@H](C)C[NH2+]C ZINC000414847147 386832502 /nfs/dbraw/zinc/83/25/02/386832502.db2.gz VIMOMEFUEMFBAE-DZGCQCFKSA-N 1 3 234.387 2.453 20 0 BEADHO CO[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357842143 386854001 /nfs/dbraw/zinc/85/40/01/386854001.db2.gz ATSPRGWKKWSTLZ-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H](C)[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000357842143 386854008 /nfs/dbraw/zinc/85/40/08/386854008.db2.gz ATSPRGWKKWSTLZ-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)OC ZINC000336674149 386842336 /nfs/dbraw/zinc/84/23/36/386842336.db2.gz BVPHRXYUJSGEOA-SWHYSGLUSA-N 1 3 234.343 2.146 20 0 BEADHO [NH3+]CC1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000334844938 386891900 /nfs/dbraw/zinc/89/19/00/386891900.db2.gz WRDQUPVLWQBDQW-YIZWMMSDSA-N 1 3 246.354 2.227 20 0 BEADHO Cc1cncc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000293741737 386872773 /nfs/dbraw/zinc/87/27/73/386872773.db2.gz QRXGDMFVCLCEPS-QWHCGFSZSA-N 1 3 235.375 2.238 20 0 BEADHO C[N@H+](CC(C)(C)N)[C@H]1CCc2ccccc21 ZINC000334834206 386873867 /nfs/dbraw/zinc/87/38/67/386873867.db2.gz MBJHPFYWEPJPIG-ZDUSSCGKSA-N 1 3 218.344 2.343 20 0 BEADHO C[N@@H+](CC(C)(C)N)[C@H]1CCc2ccccc21 ZINC000334834206 386873871 /nfs/dbraw/zinc/87/38/71/386873871.db2.gz MBJHPFYWEPJPIG-ZDUSSCGKSA-N 1 3 218.344 2.343 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)CCN1 ZINC000414939929 386875447 /nfs/dbraw/zinc/87/54/47/386875447.db2.gz BKUGRDWJBHIVLM-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1ccsc1C[NH2+]C1(C)CCNCC1 ZINC000334841311 386885807 /nfs/dbraw/zinc/88/58/07/386885807.db2.gz GTCXZMPIBCPQME-UHFFFAOYSA-N 1 3 224.373 2.288 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC000414941967 386897758 /nfs/dbraw/zinc/89/77/58/386897758.db2.gz DCTDMQHBUYGENN-WOPDTQHZSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)Cc1ccccc1 ZINC000414943915 386900971 /nfs/dbraw/zinc/90/09/71/386900971.db2.gz OOBAHWILXJOVSE-DZKIICNBSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)Cc1ccccc1 ZINC000414943920 386901148 /nfs/dbraw/zinc/90/11/48/386901148.db2.gz OOBAHWILXJOVSE-SQWLQELKSA-N 1 3 246.398 2.453 20 0 BEADHO [NH3+]C1(CN[C@@H]2CCc3ccccc3C2)CCC1 ZINC000334856140 386908430 /nfs/dbraw/zinc/90/84/30/386908430.db2.gz GHHKDFHYYBZQKT-CQSZACIVSA-N 1 3 230.355 2.015 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCNC[C@@H]2C)c1 ZINC000334858372 386910524 /nfs/dbraw/zinc/91/05/24/386910524.db2.gz SDBFCFCLHZKOOS-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCNC[C@H]2C)c1 ZINC000334858376 386911761 /nfs/dbraw/zinc/91/17/61/386911761.db2.gz SDBFCFCLHZKOOS-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@H]2CCNC[C@@H]2C)c1 ZINC000334859377 386913126 /nfs/dbraw/zinc/91/31/26/386913126.db2.gz YSEFFPUZBZLVNS-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCNCC1 ZINC000334866411 386923329 /nfs/dbraw/zinc/92/33/29/386923329.db2.gz QDNRLGBWNBHYDY-NHYWBVRUSA-N 1 3 230.355 2.262 20 0 BEADHO CS[C@H]1CC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000425363012 386970270 /nfs/dbraw/zinc/97/02/70/386970270.db2.gz WFKKQDPTYQOXTJ-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CCc1ccccc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000126876118 387055922 /nfs/dbraw/zinc/05/59/22/387055922.db2.gz BPGOMUXXMHZNTA-TZMCWYRMSA-N 1 3 232.371 2.418 20 0 BEADHO COCc1cccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216074710 387028281 /nfs/dbraw/zinc/02/82/81/387028281.db2.gz VZZIDNWGCVDTRL-WFASDCNBSA-N 1 3 248.370 2.002 20 0 BEADHO CCCC[C@H](C[NH3+])N[C@@H](C)Cc1ccoc1 ZINC000423299683 387130337 /nfs/dbraw/zinc/13/03/37/387130337.db2.gz QKPSVWAGYZAKRZ-WCQYABFASA-N 1 3 224.348 2.318 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CCOc1ccccc1 ZINC000111380559 387077182 /nfs/dbraw/zinc/07/71/82/387077182.db2.gz CGQYQFVSXUHDCN-CQSZACIVSA-N 1 3 248.370 2.269 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000162207299 387089428 /nfs/dbraw/zinc/08/94/28/387089428.db2.gz HHVHTRMAZJWUAE-RYUDHWBXSA-N 1 3 241.338 2.408 20 0 BEADHO CC[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000322514413 387093511 /nfs/dbraw/zinc/09/35/11/387093511.db2.gz JTUQVBUJCCDHNK-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000322514413 387093514 /nfs/dbraw/zinc/09/35/14/387093514.db2.gz JTUQVBUJCCDHNK-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007137 387100488 /nfs/dbraw/zinc/10/04/88/387100488.db2.gz FOXSRJAFCZKDQA-WCQYABFASA-N 1 3 222.376 2.426 20 0 BEADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CNC1 ZINC000423301272 387131577 /nfs/dbraw/zinc/13/15/77/387131577.db2.gz HBIPVSNNTQHOGL-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc2cc(C[NH2+][C@H]3CCC[C@H]3N)ccc2[nH]1 ZINC000335008156 387103641 /nfs/dbraw/zinc/10/36/41/387103641.db2.gz HCZDQKXOOCMWLP-HIFRSBDPSA-N 1 3 243.354 2.446 20 0 BEADHO C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000335011827 387106273 /nfs/dbraw/zinc/10/62/73/387106273.db2.gz VXMTVMDPVLDCJX-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1 ZINC000335024912 387117015 /nfs/dbraw/zinc/11/70/15/387117015.db2.gz PMGFEVZELPQVIY-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CNC1 ZINC000335030499 387124175 /nfs/dbraw/zinc/12/41/75/387124175.db2.gz QCSYZEHNMGILLR-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2CNC2)C1 ZINC000423299473 387128840 /nfs/dbraw/zinc/12/88/40/387128840.db2.gz BUOJRRNMNQMJIW-JKSUJKDBSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@@]1(c2ccccc2)CC[C@H](NCC2C[NH2+]C2)C1 ZINC000423299473 387128848 /nfs/dbraw/zinc/12/88/48/387128848.db2.gz BUOJRRNMNQMJIW-JKSUJKDBSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423299472 387128948 /nfs/dbraw/zinc/12/89/48/387128948.db2.gz BUOJRRNMNQMJIW-HZPDHXFCSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@@]1(c2ccccc2)CC[C@@H](NCC2C[NH2+]C2)C1 ZINC000423299472 387128951 /nfs/dbraw/zinc/12/89/51/387128951.db2.gz BUOJRRNMNQMJIW-HZPDHXFCSA-N 1 3 244.382 2.306 20 0 BEADHO COc1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH3+])CCC2 ZINC000423299663 387128982 /nfs/dbraw/zinc/12/89/82/387128982.db2.gz QJJIIBHNFMCLKT-NHYWBVRUSA-N 1 3 248.370 2.257 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423298522 387129311 /nfs/dbraw/zinc/12/93/11/387129311.db2.gz AJUMHPXKAGJQEG-UTUOFQBUSA-N 1 3 216.344 2.089 20 0 BEADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])c(C)c1 ZINC000423298712 387129863 /nfs/dbraw/zinc/12/98/63/387129863.db2.gz ATSHHWMOLMLSOZ-ZYHUDNBSSA-N 1 3 236.359 2.249 20 0 BEADHO CC(C)CC[C@H]1CC[C@H]([NH2+]CC2CNC2)C1 ZINC000423310719 387148339 /nfs/dbraw/zinc/14/83/39/387148339.db2.gz AVTWDKSCEOZMIZ-JSGCOSHPSA-N 1 3 224.392 2.400 20 0 BEADHO COc1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423344368 387192632 /nfs/dbraw/zinc/19/26/32/387192632.db2.gz MPUDGVRZGQSDTP-LBPRGKRZSA-N 1 3 246.354 2.266 20 0 BEADHO N[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310972 387149086 /nfs/dbraw/zinc/14/90/86/387149086.db2.gz BBGSEXUXXSTHEE-UONOGXRCSA-N 1 3 234.318 2.140 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423312836 387151254 /nfs/dbraw/zinc/15/12/54/387151254.db2.gz DUQKZPYQMLQLAQ-BXUZGUMPSA-N 1 3 218.344 2.383 20 0 BEADHO N[C@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000423314695 387154288 /nfs/dbraw/zinc/15/42/88/387154288.db2.gz HNQIRAPUHZREKB-KGLIPLIRSA-N 1 3 234.318 2.140 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000423315917 387156309 /nfs/dbraw/zinc/15/63/09/387156309.db2.gz JHHQDNLHMPKVJY-BXUZGUMPSA-N 1 3 218.344 2.383 20 0 BEADHO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423316186 387156642 /nfs/dbraw/zinc/15/66/42/387156642.db2.gz ZQTJDWNOMFPSBO-FRRDWIJNSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H](NCCCC[NH3+])c1ccc(Cl)cn1 ZINC000423317680 387158324 /nfs/dbraw/zinc/15/83/24/387158324.db2.gz CWTOSXDBPDZXLG-VIFPVBQESA-N 1 3 227.739 2.125 20 0 BEADHO CCC1(CC)[C@H](NCC2([NH3+])CCC2)C[C@@H]1OC ZINC000423319993 387161386 /nfs/dbraw/zinc/16/13/86/387161386.db2.gz FYGGTZKPXHESDL-NEPJUHHUSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1 ZINC000423323230 387164598 /nfs/dbraw/zinc/16/45/98/387164598.db2.gz OQXXLLWYNYAUGU-MFKMUULPSA-N 1 3 204.317 2.075 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000571777086 387169804 /nfs/dbraw/zinc/16/98/04/387169804.db2.gz QWLDUUOZMLOCSK-CYDGBPFRSA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000571777089 387170605 /nfs/dbraw/zinc/17/06/05/387170605.db2.gz QWLDUUOZMLOCSK-RVMXOQNASA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CNC2)C1 ZINC000423331685 387176253 /nfs/dbraw/zinc/17/62/53/387176253.db2.gz UTCBOHGYFCJUKI-STQMWFEESA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423332459 387177203 /nfs/dbraw/zinc/17/72/03/387177203.db2.gz VFOXDHOCKMIGFM-GXSJLCMTSA-N 1 3 224.373 2.444 20 0 BEADHO CC(C)[C@H](NCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423331927 387177874 /nfs/dbraw/zinc/17/78/74/387177874.db2.gz DEKVTTXAPUAAJX-HNNXBMFYSA-N 1 3 245.370 2.288 20 0 BEADHO NC1(C[NH2+][C@H](c2cccnc2)C2CCC2)CCC1 ZINC000423333437 387180636 /nfs/dbraw/zinc/18/06/36/387180636.db2.gz RSPMMMZRAWEKHH-AWEZNQCLSA-N 1 3 245.370 2.394 20 0 BEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccs1 ZINC000423342369 387193781 /nfs/dbraw/zinc/19/37/81/387193781.db2.gz KVKZIJWLQMCVLP-SNVBAGLBSA-N 1 3 222.357 2.318 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1(C)CC1 ZINC000423334784 387182064 /nfs/dbraw/zinc/18/20/64/387182064.db2.gz RFEFLVCQOOUMRW-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc([C@H](C)NCCCC[NH3+])oc1C ZINC000423336807 387182853 /nfs/dbraw/zinc/18/28/53/387182853.db2.gz VDXVODKKSULABE-JTQLQIEISA-N 1 3 210.321 2.286 20 0 BEADHO C[C@H](C[NH3+])N[C@@H](C)CCc1c(F)cccc1F ZINC000423340819 387189435 /nfs/dbraw/zinc/18/94/35/387189435.db2.gz XLVUOSKJCKBJOT-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO CCc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)o1 ZINC000423340337 387190940 /nfs/dbraw/zinc/19/09/40/387190940.db2.gz JKGJKOMVOTYNJJ-LLVKDONJSA-N 1 3 234.343 2.412 20 0 BEADHO CCC[C@@H]([NH2+]C[C@@H](C)CN)C(C)(C)C ZINC000423302342 387134124 /nfs/dbraw/zinc/13/41/24/387134124.db2.gz HDYSKEBIIOAASR-WDEREUQCSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@@H]([C@H](C)[NH2+]CC1CNC1)C1CCCCC1 ZINC000423303651 387136438 /nfs/dbraw/zinc/13/64/38/387136438.db2.gz MGFDPMHGXMHCSX-RYUDHWBXSA-N 1 3 224.392 2.400 20 0 BEADHO CCCC1CCC([NH2+]CC2CNC2)CC1 ZINC000423303507 387137293 /nfs/dbraw/zinc/13/72/93/387137293.db2.gz LTVPJSFGDMWAPM-UHFFFAOYSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])[C@@H](C)C2 ZINC000423302988 387137712 /nfs/dbraw/zinc/13/77/12/387137712.db2.gz IGLUTSJYWZEFKX-TYNCELHUSA-N 1 3 232.371 2.413 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)CN)[C@@H](C)C2 ZINC000423302988 387137719 /nfs/dbraw/zinc/13/77/19/387137719.db2.gz IGLUTSJYWZEFKX-TYNCELHUSA-N 1 3 232.371 2.413 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000119518437 387137690 /nfs/dbraw/zinc/13/76/90/387137690.db2.gz XZHWNNRZIWAMPW-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000119518437 387137695 /nfs/dbraw/zinc/13/76/95/387137695.db2.gz XZHWNNRZIWAMPW-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[NH2+]CCN[C@@H]1C[C@H](C)CC[C@@H]1C ZINC000423305457 387138895 /nfs/dbraw/zinc/13/88/95/387138895.db2.gz BZYUVRFELLVELG-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO N[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000423325035 387139377 /nfs/dbraw/zinc/13/93/77/387139377.db2.gz PTHKNWUFQSOXAO-HUUCEWRRSA-N 1 3 230.355 2.391 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000423304789 387139669 /nfs/dbraw/zinc/13/96/69/387139669.db2.gz ZLWXVNYICVFHOO-UWVGGRQHSA-N 1 3 212.381 2.242 20 0 BEADHO N[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000423325034 387140525 /nfs/dbraw/zinc/14/05/25/387140525.db2.gz PTHKNWUFQSOXAO-GJZGRUSLSA-N 1 3 230.355 2.391 20 0 BEADHO Cc1ccc(C[C@@H]([NH2+]CC2CNC2)C(C)C)cc1 ZINC000423305516 387141200 /nfs/dbraw/zinc/14/12/00/387141200.db2.gz QXRWZRYFRWIOTB-MRXNPFEDSA-N 1 3 246.398 2.371 20 0 BEADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423353748 387204789 /nfs/dbraw/zinc/20/47/89/387204789.db2.gz CEOKEVXADIWSPT-KMUNFCNLSA-N 1 3 248.345 2.401 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[C@H]1C1CCC1 ZINC000423359038 387209948 /nfs/dbraw/zinc/20/99/48/387209948.db2.gz ORXZETKZCJRJTQ-HZSPNIEDSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@]12C[C@H]1CCC[C@H]2NCC[C@H]1CCC[NH2+]1 ZINC000423357896 387210262 /nfs/dbraw/zinc/21/02/62/387210262.db2.gz IWFCCJGOZKHZQK-SYQHCUMBSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1C[C@@H]1C ZINC000423368512 387220070 /nfs/dbraw/zinc/22/00/70/387220070.db2.gz BANWUWMLPXQWMB-QWQWKMKNSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCSCC1 ZINC000423371774 387223007 /nfs/dbraw/zinc/22/30/07/387223007.db2.gz FQWAEWGIWLHJSL-NTZNESFSSA-N 1 3 242.432 2.248 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369802 387223270 /nfs/dbraw/zinc/22/32/70/387223270.db2.gz OSELUCJGJXTKJE-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC12CCC2 ZINC000423371796 387223413 /nfs/dbraw/zinc/22/34/13/387223413.db2.gz VEYOTFMLQCZUQC-VXGBXAGGSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)CCN1 ZINC000423373672 387229573 /nfs/dbraw/zinc/22/95/73/387229573.db2.gz JHXCZYYSHXFYTG-KYOSRNDESA-N 1 3 230.355 2.404 20 0 BEADHO CC(C)[C@H]([NH2+]CC1(N)CCC1)c1cccnc1 ZINC000423325773 387230275 /nfs/dbraw/zinc/23/02/75/387230275.db2.gz LQXZUGDZWVQEMD-ZDUSSCGKSA-N 1 3 233.359 2.250 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000423396408 387231012 /nfs/dbraw/zinc/23/10/12/387231012.db2.gz NUEZMCAEOHAWTJ-MBJXGIAVSA-N 1 3 222.376 2.153 20 0 BEADHO C[NH2+][C@H](C)CN[C@H](Cc1ccccc1)C(C)C ZINC000423400858 387234986 /nfs/dbraw/zinc/23/49/86/387234986.db2.gz VIPGREXGSLBIMT-UKRRQHHQSA-N 1 3 234.387 2.451 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2c1CCCN2 ZINC000423411951 387245405 /nfs/dbraw/zinc/24/54/05/387245405.db2.gz GQCSNESKORPBBM-RYUDHWBXSA-N 1 3 247.386 2.260 20 0 BEADHO COC[C@]1(CN[C@H](C)CC(C)(C)C)CCC[NH2+]1 ZINC000423413431 387245730 /nfs/dbraw/zinc/24/57/30/387245730.db2.gz KLIVBZCUPXNOFZ-TZMCWYRMSA-N 1 3 242.407 2.169 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000423374926 387253941 /nfs/dbraw/zinc/25/39/41/387253941.db2.gz UCTBTNVHIILGEC-MROQNXINSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1CC1(C)C ZINC000423346760 387197907 /nfs/dbraw/zinc/19/79/07/387197907.db2.gz QCTGHGVOVXIATH-OUCADQQQSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000423462129 387310322 /nfs/dbraw/zinc/31/03/22/387310322.db2.gz KIMSETGGRHHCOF-TZMCWYRMSA-N 1 3 236.359 2.473 20 0 BEADHO CC[NH2+][C@H](C)CNC1CCC(C(F)F)CC1 ZINC000423381559 387264476 /nfs/dbraw/zinc/26/44/76/387264476.db2.gz IBKQTTQJBQIPCW-KPPDAEKUSA-N 1 3 234.334 2.398 20 0 BEADHO CCNCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000643498871 387277061 /nfs/dbraw/zinc/27/70/61/387277061.db2.gz QCZUQWDLMFALRM-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)CN1CCCC1 ZINC000321594240 387282724 /nfs/dbraw/zinc/28/27/24/387282724.db2.gz PODKFRNQQCYMGN-SYQHCUMBSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423432059 387284315 /nfs/dbraw/zinc/28/43/15/387284315.db2.gz MERDAOSYTPYSBR-XPABHHOTSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccnc1 ZINC000423434603 387286159 /nfs/dbraw/zinc/28/61/59/387286159.db2.gz DATBLIPHCGFNHO-WZRBSPASSA-N 1 3 221.348 2.104 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000423440096 387290637 /nfs/dbraw/zinc/29/06/37/387290637.db2.gz AMSRVYMJWWJWCG-NEPJUHHUSA-N 1 3 236.359 2.392 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)N ZINC000423444335 387295000 /nfs/dbraw/zinc/29/50/00/387295000.db2.gz LQJNOSZLFLLFDU-NRUUGDAUSA-N 1 3 234.343 2.008 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H](C)N ZINC000423449564 387297328 /nfs/dbraw/zinc/29/73/28/387297328.db2.gz RUXLIRNXFYKPJQ-GYSYKLTISA-N 1 3 218.344 2.308 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)N)CCC2 ZINC000423449741 387297992 /nfs/dbraw/zinc/29/79/92/387297992.db2.gz RZDMGIMPLMBYFE-FIXISWKDSA-N 1 3 248.370 2.398 20 0 BEADHO CCC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1cccnc1 ZINC000423453727 387301154 /nfs/dbraw/zinc/30/11/54/387301154.db2.gz XYFNCFFRBRKSRF-GVXVVHGQSA-N 1 3 221.348 2.248 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423454104 387301622 /nfs/dbraw/zinc/30/16/22/387301622.db2.gz KJGQPUPLHRULNS-AJSWTNHPSA-N 1 3 222.376 2.009 20 0 BEADHO CC(C)C[C@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423455146 387302656 /nfs/dbraw/zinc/30/26/56/387302656.db2.gz MERDAOSYTPYSBR-SEBNEYGDSA-N 1 3 236.403 2.399 20 0 BEADHO CCCCO[C@@H]1C[C@H](NC[C@@H]([NH3+])CC)C1(C)C ZINC000423455423 387303220 /nfs/dbraw/zinc/30/32/20/387303220.db2.gz CKKQXBGAEHWCAE-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000423455425 387303791 /nfs/dbraw/zinc/30/37/91/387303791.db2.gz CLYZFUGEQSZQCY-GXSJLCMTSA-N 1 3 224.373 2.452 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1sccc1C ZINC000423456871 387304507 /nfs/dbraw/zinc/30/45/07/387304507.db2.gz DVHRYAXNBAMWHE-ZJUUUORDSA-N 1 3 212.362 2.444 20 0 BEADHO c1ccc([C@H]2CC[C@@H](N[C@@H]3[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000423459078 387305546 /nfs/dbraw/zinc/30/55/46/387305546.db2.gz RCTSXJJJGFWJLV-ZVDSWSACSA-N 1 3 242.366 2.130 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+](CCCN)CC1CCCC1 ZINC000352539481 387307241 /nfs/dbraw/zinc/30/72/41/387307241.db2.gz BCUPORVVHDLWTI-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+](CCCN)CC1CCCC1 ZINC000352539481 387307246 /nfs/dbraw/zinc/30/72/46/387307246.db2.gz BCUPORVVHDLWTI-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)[C@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423460591 387308122 /nfs/dbraw/zinc/30/81/22/387308122.db2.gz SVYNLYWINRDJGE-RGDJUOJXSA-N 1 3 222.376 2.009 20 0 BEADHO CC(C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423529102 387357373 /nfs/dbraw/zinc/35/73/73/387357373.db2.gz NWLONKPJOCGGPC-VHDGCEQUSA-N 1 3 232.371 2.376 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccncc1F ZINC000423535361 387360655 /nfs/dbraw/zinc/36/06/55/387360655.db2.gz CTGQVRJGVSCQMU-NSHDSACASA-N 1 3 249.333 2.181 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccncc1F ZINC000423535360 387361947 /nfs/dbraw/zinc/36/19/47/387361947.db2.gz CTGQVRJGVSCQMU-LLVKDONJSA-N 1 3 249.333 2.181 20 0 BEADHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CC1(C)C ZINC000423541765 387365162 /nfs/dbraw/zinc/36/51/62/387365162.db2.gz AAFOMUUPLFDZHI-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CCC12CCC2 ZINC000423545928 387370434 /nfs/dbraw/zinc/37/04/34/387370434.db2.gz FDVMWWBIUFHZMO-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453600 387371107 /nfs/dbraw/zinc/37/11/07/387371107.db2.gz KLFCZWAZRPEQKU-XNRPHZJLSA-N 1 3 244.382 2.304 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423547390 387371485 /nfs/dbraw/zinc/37/14/85/387371485.db2.gz GBVZUBKTQIPHPM-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO C(CNC1CC1)C[NH2+]C1CCC2(CC2)CC1 ZINC000423557711 387376126 /nfs/dbraw/zinc/37/61/26/387376126.db2.gz NOIPADXAQDBWBP-UHFFFAOYSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]([NH2+]CCCNC1CC1)C1CCSCC1 ZINC000423573155 387380261 /nfs/dbraw/zinc/38/02/61/387380261.db2.gz YZKBXTXJJGLQHF-LLVKDONJSA-N 1 3 242.432 2.250 20 0 BEADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])CC)C1(CC)CC ZINC000423477844 387323442 /nfs/dbraw/zinc/32/34/42/387323442.db2.gz UEKGISGVKANQGH-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423485366 387332066 /nfs/dbraw/zinc/33/20/66/387332066.db2.gz ZFSKMZAUOOXVQL-DOMZBBRYSA-N 1 3 248.370 2.400 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423484566 387332124 /nfs/dbraw/zinc/33/21/24/387332124.db2.gz YPCSRQUIAQIQGV-SWLSCSKDSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@H](C)CCc1ccco1 ZINC000515053158 387334723 /nfs/dbraw/zinc/33/47/23/387334723.db2.gz DHRHAHUQLPCVDO-YPMHNXCESA-N 1 3 224.348 2.174 20 0 BEADHO C[C@H](CCC(C)(C)C)NC[C@H]1C[NH2+]CCCO1 ZINC000423491930 387336131 /nfs/dbraw/zinc/33/61/31/387336131.db2.gz KUHSENJKEFPVQY-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000423491530 387336469 /nfs/dbraw/zinc/33/64/69/387336469.db2.gz ZINZNJSQJBQWPT-NWDGAFQWSA-N 1 3 222.332 2.462 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)[C@@H]1C ZINC000423498503 387340473 /nfs/dbraw/zinc/34/04/73/387340473.db2.gz BJOCHYPAJPOBON-HUHANWACSA-N 1 3 244.382 2.376 20 0 BEADHO CC(C)=CCC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000423506461 387345128 /nfs/dbraw/zinc/34/51/28/387345128.db2.gz GXSKKGYTBKSPPE-UONOGXRCSA-N 1 3 240.391 2.089 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@H]2CCCNC2)cc1C ZINC000084517103 387451991 /nfs/dbraw/zinc/45/19/91/387451991.db2.gz SFDQGGHLTCLVGS-HNNXBMFYSA-N 1 3 232.371 2.453 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648495928 387454385 /nfs/dbraw/zinc/45/43/85/387454385.db2.gz TVKLRNVZPJYTDY-WDNDVIMCSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CCC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361413974 387456678 /nfs/dbraw/zinc/45/66/78/387456678.db2.gz GLPUJJRNQYUONO-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361413974 387456681 /nfs/dbraw/zinc/45/66/81/387456681.db2.gz GLPUJJRNQYUONO-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)C(C)(C)C ZINC000643455204 387390820 /nfs/dbraw/zinc/39/08/20/387390820.db2.gz GOPYPALBKMLZEJ-DCAQKATOSA-N 1 3 200.370 2.384 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000643455207 387390878 /nfs/dbraw/zinc/39/08/78/387390878.db2.gz GOPYPALBKMLZEJ-VWYCJHECSA-N 1 3 200.370 2.384 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304644170 387498201 /nfs/dbraw/zinc/49/82/01/387498201.db2.gz XHFIRKZAOWCESN-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2COC(C)(C)C2)CC1 ZINC000396839721 387499778 /nfs/dbraw/zinc/49/97/78/387499778.db2.gz FQEPIRBRPBSYMO-ZDUSSCGKSA-N 1 3 240.391 2.018 20 0 BEADHO CN1CCCC12CC[NH+](C[Si](C)(C)C)CC2 ZINC000374976357 387503328 /nfs/dbraw/zinc/50/33/28/387503328.db2.gz FXGCXUZITPCGMV-UHFFFAOYSA-N 1 3 240.467 2.424 20 0 BEADHO C[N@@H+]1CCCC12CCN(C[Si](C)(C)C)CC2 ZINC000374976357 387503332 /nfs/dbraw/zinc/50/33/32/387503332.db2.gz FXGCXUZITPCGMV-UHFFFAOYSA-N 1 3 240.467 2.424 20 0 BEADHO C[N@H+]1CCCC12CCN(C[Si](C)(C)C)CC2 ZINC000374976357 387503334 /nfs/dbraw/zinc/50/33/34/387503334.db2.gz FXGCXUZITPCGMV-UHFFFAOYSA-N 1 3 240.467 2.424 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000643475298 387508751 /nfs/dbraw/zinc/50/87/51/387508751.db2.gz CDZLOZZTSGAYSM-IGQOVBAYSA-N 1 3 240.391 2.051 20 0 BEADHO CCC[C@]1(NCCC[NH+](CC)CC)CCOC1 ZINC000352825245 387528500 /nfs/dbraw/zinc/52/85/00/387528500.db2.gz OSFXXTIUQGNDNA-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO CCC[C@]1([NH2+]CCCN(CC)CC)CCOC1 ZINC000352825245 387528503 /nfs/dbraw/zinc/52/85/03/387528503.db2.gz OSFXXTIUQGNDNA-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO Cc1cc(C)c(CN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000397026974 387534617 /nfs/dbraw/zinc/53/46/17/387534617.db2.gz OEZDZZFVFZPWOG-DZGCQCFKSA-N 1 3 247.386 2.306 20 0 BEADHO CO[C@@H](C)[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000355069921 387475321 /nfs/dbraw/zinc/47/53/21/387475321.db2.gz SIWBFYJHEQPLFR-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](CCC(F)(F)F)NCC[NH2+]C1CC1 ZINC000643507586 387477183 /nfs/dbraw/zinc/47/71/83/387477183.db2.gz JJWOGIZBQQUOTM-MRVPVSSYSA-N 1 3 224.270 2.059 20 0 BEADHO CC(C)[NH+]1CCC(N(C)CCCF)CC1 ZINC000361556373 387487832 /nfs/dbraw/zinc/48/78/32/387487832.db2.gz GRKRZIJMIKQSAP-UHFFFAOYSA-N 1 3 216.344 2.151 20 0 BEADHO CC(C)NCCC[NH2+][C@H](C)C(C)(C)C ZINC000643508275 387488536 /nfs/dbraw/zinc/48/85/36/387488536.db2.gz AIFBPGXCKNWTPY-LLVKDONJSA-N 1 3 200.370 2.399 20 0 BEADHO COc1cccc(C[C@@H]2CCCN2CCC[NH3+])c1 ZINC000516258532 387491250 /nfs/dbraw/zinc/49/12/50/387491250.db2.gz GWKYWBZMIUFIMJ-AWEZNQCLSA-N 1 3 248.370 2.051 20 0 BEADHO C[NH+](C)CC1CCN(CCC(F)(F)F)CC1 ZINC000355881050 387589834 /nfs/dbraw/zinc/58/98/34/387589834.db2.gz PJPBTCRSGXQNNS-UHFFFAOYSA-N 1 3 238.297 2.212 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551349 387598227 /nfs/dbraw/zinc/59/82/27/387598227.db2.gz DKJLINGCUANIPC-GHMZBOCLSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCO[C@@H]1CCCC[C@H]1C ZINC000422716309 387628863 /nfs/dbraw/zinc/62/88/63/387628863.db2.gz UGFHHGCJQSPTBO-ZOBORPQBSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](C[NH3+])CNCc1cccc(C2CC2)c1 ZINC000422551245 387599349 /nfs/dbraw/zinc/59/93/49/387599349.db2.gz DHWCZQQMDMTCKU-LLVKDONJSA-N 1 3 218.344 2.248 20 0 BEADHO CC(C)OCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422639440 387611251 /nfs/dbraw/zinc/61/12/51/387611251.db2.gz STWJQDBILPSPEE-IHRRRGAJSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422639440 387611257 /nfs/dbraw/zinc/61/12/57/387611257.db2.gz STWJQDBILPSPEE-IHRRRGAJSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422639440 387611262 /nfs/dbraw/zinc/61/12/62/387611262.db2.gz STWJQDBILPSPEE-IHRRRGAJSA-N 1 3 242.407 2.107 20 0 BEADHO CCc1nc([C@H](C)N[C@H](C)CCC[NH3+])cs1 ZINC000422703040 387618015 /nfs/dbraw/zinc/61/80/15/387618015.db2.gz GSBKQKXFMKYOJF-ZJUUUORDSA-N 1 3 241.404 2.484 20 0 BEADHO C[C@@H]([NH2+]CCCCC(C)(C)C)C1CNC1 ZINC000422716712 387627375 /nfs/dbraw/zinc/62/73/75/387627375.db2.gz NQYKWNBEGBZCLV-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422792512 387694464 /nfs/dbraw/zinc/69/44/64/387694464.db2.gz XCWLPRWYHOQTSU-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422717536 387631798 /nfs/dbraw/zinc/63/17/98/387631798.db2.gz OVACZOYAWPRRQR-FPMFFAJLSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(CCN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430648742 387635226 /nfs/dbraw/zinc/63/52/26/387635226.db2.gz HKQDIROZCNVLGT-HNNXBMFYSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccc(CC[N@@H+]2CCC[C@@H](CN)C2)cc1 ZINC000430648742 387635229 /nfs/dbraw/zinc/63/52/29/387635229.db2.gz HKQDIROZCNVLGT-HNNXBMFYSA-N 1 3 232.371 2.208 20 0 BEADHO Cc1ccc(CC[N@H+]2CCC[C@@H](CN)C2)cc1 ZINC000430648742 387635231 /nfs/dbraw/zinc/63/52/31/387635231.db2.gz HKQDIROZCNVLGT-HNNXBMFYSA-N 1 3 232.371 2.208 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C1CNC1 ZINC000422729331 387637794 /nfs/dbraw/zinc/63/77/94/387637794.db2.gz KMXFUSMUUJSPGA-UZWSLXQKSA-N 1 3 210.365 2.009 20 0 BEADHO COc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422729055 387638344 /nfs/dbraw/zinc/63/83/44/387638344.db2.gz HINJPWAQFDCZGK-SWLSCSKDSA-N 1 3 248.370 2.173 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1CNC1 ZINC000422729332 387638415 /nfs/dbraw/zinc/63/84/15/387638415.db2.gz KMXFUSMUUJSPGA-XZUYRWCXSA-N 1 3 210.365 2.009 20 0 BEADHO CCCCOCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422729955 387638524 /nfs/dbraw/zinc/63/85/24/387638524.db2.gz LQJZSTSWDZOCRX-ZIAGYGMSSA-N 1 3 242.407 2.171 20 0 BEADHO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000422730877 387639378 /nfs/dbraw/zinc/63/93/78/387639378.db2.gz MPHPTBIKIKUNBP-STQMWFEESA-N 1 3 232.371 2.205 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422739694 387645524 /nfs/dbraw/zinc/64/55/24/387645524.db2.gz LZHXNHACBVJSQH-SDDRHHMPSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C[C@H](C)N ZINC000422739694 387645528 /nfs/dbraw/zinc/64/55/28/387645528.db2.gz LZHXNHACBVJSQH-SDDRHHMPSA-N 1 3 238.350 2.472 20 0 BEADHO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422737595 387646129 /nfs/dbraw/zinc/64/61/29/387646129.db2.gz ZXKWVJGEFIKYNL-HUUCEWRRSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000422741594 387649224 /nfs/dbraw/zinc/64/92/24/387649224.db2.gz DWPGQKBOWWKJJZ-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccccc1 ZINC000422741594 387649229 /nfs/dbraw/zinc/64/92/29/387649229.db2.gz DWPGQKBOWWKJJZ-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO CC[C@@H](NC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422747018 387650610 /nfs/dbraw/zinc/65/06/10/387650610.db2.gz OXBYUVBWERDYMU-OLZOCXBDSA-N 1 3 210.365 2.439 20 0 BEADHO CC[C@@H]([NH2+]C1CCCCC1)[C@@H]1CCCN1 ZINC000422747018 387650613 /nfs/dbraw/zinc/65/06/13/387650613.db2.gz OXBYUVBWERDYMU-OLZOCXBDSA-N 1 3 210.365 2.439 20 0 BEADHO CC[C@@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422746336 387651090 /nfs/dbraw/zinc/65/10/90/387651090.db2.gz NTBJRQNPJNTDLL-NXEZZACHSA-N 1 3 221.348 2.298 20 0 BEADHO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422746339 387651113 /nfs/dbraw/zinc/65/11/13/387651113.db2.gz NTBJRQNPJNTDLL-ZJUUUORDSA-N 1 3 221.348 2.298 20 0 BEADHO CC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422746337 387651841 /nfs/dbraw/zinc/65/18/41/387651841.db2.gz NTBJRQNPJNTDLL-UWVGGRQHSA-N 1 3 221.348 2.298 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCNc1ccccc1 ZINC000422752109 387655376 /nfs/dbraw/zinc/65/53/76/387655376.db2.gz GWTZJGKOIUCWEV-OLZOCXBDSA-N 1 3 235.375 2.204 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCNc1ccccc1 ZINC000422752109 387655380 /nfs/dbraw/zinc/65/53/80/387655380.db2.gz GWTZJGKOIUCWEV-OLZOCXBDSA-N 1 3 235.375 2.204 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](c1ccccc1)N(C)C ZINC000422750979 387656835 /nfs/dbraw/zinc/65/68/35/387656835.db2.gz FCFPTKOTCWOYCF-YDHLFZDLSA-N 1 3 249.402 2.005 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cccs1 ZINC000422750701 387656984 /nfs/dbraw/zinc/65/69/84/387656984.db2.gz DMRDXTVOBNRWOK-YPMHNXCESA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cccs1 ZINC000422750701 387656988 /nfs/dbraw/zinc/65/69/88/387656988.db2.gz DMRDXTVOBNRWOK-YPMHNXCESA-N 1 3 238.400 2.268 20 0 BEADHO Cc1ccc(C[C@@H](C)N[C@@H](C)C2C[NH2+]C2)s1 ZINC000422757308 387660340 /nfs/dbraw/zinc/66/03/40/387660340.db2.gz HUZMYKBLTROEOF-KOLCDFICSA-N 1 3 238.400 2.185 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)C2CNC2)s1 ZINC000422757308 387660344 /nfs/dbraw/zinc/66/03/44/387660344.db2.gz HUZMYKBLTROEOF-KOLCDFICSA-N 1 3 238.400 2.185 20 0 BEADHO CCOC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000125627456 387661348 /nfs/dbraw/zinc/66/13/48/387661348.db2.gz ACSRTCXIIKNBKM-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000125627456 387661354 /nfs/dbraw/zinc/66/13/54/387661354.db2.gz ACSRTCXIIKNBKM-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422773171 387670123 /nfs/dbraw/zinc/67/01/23/387670123.db2.gz TWAVFVOTNYPPMK-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO COc1ccc([C@H](C)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422777273 387674237 /nfs/dbraw/zinc/67/42/37/387674237.db2.gz FGIVLPMDBJETIX-TUAOUCFPSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc(F)c1 ZINC000422777927 387674886 /nfs/dbraw/zinc/67/48/86/387674886.db2.gz CYCJGSFJIZWGLO-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000422777927 387674892 /nfs/dbraw/zinc/67/48/92/387674892.db2.gz CYCJGSFJIZWGLO-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)C[C@@H](C)[NH3+])C12CCC2 ZINC000422777105 387675699 /nfs/dbraw/zinc/67/56/99/387675699.db2.gz FFLGLHAAIDSROU-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)N)C12CCC2 ZINC000422777105 387675701 /nfs/dbraw/zinc/67/57/01/387675701.db2.gz FFLGLHAAIDSROU-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]1[NH3+])Cc1cccs1 ZINC000422778285 387676097 /nfs/dbraw/zinc/67/60/97/387676097.db2.gz HGSVYTCMAQAQMB-UHTWSYAYSA-N 1 3 238.400 2.396 20 0 BEADHO Cc1cccc([C@H](C)C[NH2+][C@H](C)C2CNC2)c1 ZINC000422781031 387680917 /nfs/dbraw/zinc/68/09/17/387680917.db2.gz JZXBAHFTAQORDS-CHWSQXEVSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1cccc([C@H](C)CN[C@H](C)C2C[NH2+]C2)c1 ZINC000422781031 387680920 /nfs/dbraw/zinc/68/09/20/387680920.db2.gz JZXBAHFTAQORDS-CHWSQXEVSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1cc(C)cc(CCN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422783816 387683575 /nfs/dbraw/zinc/68/35/75/387683575.db2.gz NGVXXFMBIKPJHT-HUUCEWRRSA-N 1 3 232.371 2.315 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccccc1 ZINC000422742904 387688417 /nfs/dbraw/zinc/68/84/17/387688417.db2.gz HFMFHXXJCVJXHV-TUAOUCFPSA-N 1 3 206.333 2.463 20 0 BEADHO CC[C@H](F)C[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000440770705 387688917 /nfs/dbraw/zinc/68/89/17/387688917.db2.gz KSZSYUCCHGMPGZ-AVGNSLFASA-N 1 3 230.371 2.397 20 0 BEADHO CC[C@H](F)C[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000440770705 387688922 /nfs/dbraw/zinc/68/89/22/387688922.db2.gz KSZSYUCCHGMPGZ-AVGNSLFASA-N 1 3 230.371 2.397 20 0 BEADHO CC[C@H](F)C[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000440770708 387689320 /nfs/dbraw/zinc/68/93/20/387689320.db2.gz KSZSYUCCHGMPGZ-RWMBFGLXSA-N 1 3 230.371 2.397 20 0 BEADHO CC[C@H](F)C[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000440770708 387689326 /nfs/dbraw/zinc/68/93/26/387689326.db2.gz KSZSYUCCHGMPGZ-RWMBFGLXSA-N 1 3 230.371 2.397 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422792507 387694095 /nfs/dbraw/zinc/69/40/95/387694095.db2.gz XCWLPRWYHOQTSU-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(OCCCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422860462 387744924 /nfs/dbraw/zinc/74/49/24/387744924.db2.gz MKBRHGMIVQSKFR-LSDHHAIUSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000643525500 387745680 /nfs/dbraw/zinc/74/56/80/387745680.db2.gz YXOWWLGUEKBPKA-IJLUTSLNSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@H](Cc1cccs1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000643525500 387745685 /nfs/dbraw/zinc/74/56/85/387745685.db2.gz YXOWWLGUEKBPKA-IJLUTSLNSA-N 1 3 238.400 2.409 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526155 387748806 /nfs/dbraw/zinc/74/88/06/387748806.db2.gz RAABQHOYDVTECX-GHMZBOCLSA-N 1 3 222.332 2.083 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)s1 ZINC000422870625 387749534 /nfs/dbraw/zinc/74/95/34/387749534.db2.gz ZCRMOGZJYNSZNN-NWDGAFQWSA-N 1 3 224.373 2.280 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)N)c1ccc(C)cc1 ZINC000643526252 387750793 /nfs/dbraw/zinc/75/07/93/387750793.db2.gz WLSUMWMMBZDOSE-AAEUAGOBSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1CNC1 ZINC000422802590 387701701 /nfs/dbraw/zinc/70/17/01/387701701.db2.gz HNVVPNJICZFQMU-OCCSQVGLSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H](NC[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422802590 387701709 /nfs/dbraw/zinc/70/17/09/387701709.db2.gz HNVVPNJICZFQMU-OCCSQVGLSA-N 1 3 244.382 2.304 20 0 BEADHO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)C(C)(C)C ZINC000422801762 387702042 /nfs/dbraw/zinc/70/20/42/387702042.db2.gz AMYVHYXBLAGMMY-RWMBFGLXSA-N 1 3 242.407 2.155 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)C(C)(C)C ZINC000422801761 387702256 /nfs/dbraw/zinc/70/22/56/387702256.db2.gz AMYVHYXBLAGMMY-JHJVBQTASA-N 1 3 242.407 2.155 20 0 BEADHO COCc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422807008 387704367 /nfs/dbraw/zinc/70/43/67/387704367.db2.gz LOMJRABGOLZIOT-RYUDHWBXSA-N 1 3 236.359 2.048 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccsc1 ZINC000422811103 387709069 /nfs/dbraw/zinc/70/90/69/387709069.db2.gz TZYBHQXODGAJQV-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccsc1 ZINC000422811103 387709074 /nfs/dbraw/zinc/70/90/74/387709074.db2.gz TZYBHQXODGAJQV-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO CCc1cc(N2C[C@H](C)N(C)C[C@H]2C)cc[nH+]1 ZINC000450417373 387711096 /nfs/dbraw/zinc/71/10/96/387711096.db2.gz JGOJAWVAXMYLPT-NWDGAFQWSA-N 1 3 233.359 2.173 20 0 BEADHO COCc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422812659 387711650 /nfs/dbraw/zinc/71/16/50/387711650.db2.gz YDPMDFIMESNQLB-NEPJUHHUSA-N 1 3 236.359 2.048 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@H](C)C[C@H](C)N ZINC000422812438 387712575 /nfs/dbraw/zinc/71/25/75/387712575.db2.gz WGEUAHVWEAPNGA-GARJFASQSA-N 1 3 218.410 2.234 20 0 BEADHO C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCCNCC1 ZINC000643522289 387718189 /nfs/dbraw/zinc/71/81/89/387718189.db2.gz KVCNRJHSZNLIGS-RYUDHWBXSA-N 1 3 208.349 2.051 20 0 BEADHO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422820419 387718266 /nfs/dbraw/zinc/71/82/66/387718266.db2.gz QMANJIOBHPQBHS-WCFLWFBJSA-N 1 3 242.432 2.248 20 0 BEADHO CC(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000422829150 387724034 /nfs/dbraw/zinc/72/40/34/387724034.db2.gz HFSDODYYVMKJKV-KKUMJFAQSA-N 1 3 247.386 2.291 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422834756 387726354 /nfs/dbraw/zinc/72/63/54/387726354.db2.gz XKQANKHVNIBJFS-OCCSQVGLSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1cc(F)ccc1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422849228 387734480 /nfs/dbraw/zinc/73/44/80/387734480.db2.gz BPUVUJXOHIQSLQ-UONOGXRCSA-N 1 3 236.334 2.146 20 0 BEADHO CO[C@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000441223263 387737510 /nfs/dbraw/zinc/73/75/10/387737510.db2.gz CRUKYFZISLRMCM-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@H]1CCCC[C@@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000441223263 387737516 /nfs/dbraw/zinc/73/75/16/387737516.db2.gz CRUKYFZISLRMCM-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@H]1CCCC[C@@H]1NCC[C@H]1CCC[N@H+]1C ZINC000441223263 387737518 /nfs/dbraw/zinc/73/75/18/387737518.db2.gz CRUKYFZISLRMCM-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000422852395 387738034 /nfs/dbraw/zinc/73/80/34/387738034.db2.gz QQPYRXUGCDYJAX-FUNVUKJBSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H](C)C[C@@H](C)N)c1 ZINC000422853522 387738371 /nfs/dbraw/zinc/73/83/71/387738371.db2.gz YZQSOPVBLLIKMC-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1cccc(CCN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422853522 387738376 /nfs/dbraw/zinc/73/83/76/387738376.db2.gz YZQSOPVBLLIKMC-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@@H](CC[NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422856586 387741925 /nfs/dbraw/zinc/74/19/25/387741925.db2.gz WZNGIVGOFRCUKD-STQMWFEESA-N 1 3 232.371 2.378 20 0 BEADHO C[C@@H](CCN[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422856586 387741932 /nfs/dbraw/zinc/74/19/32/387741932.db2.gz WZNGIVGOFRCUKD-STQMWFEESA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422897567 387765357 /nfs/dbraw/zinc/76/53/57/387765357.db2.gz CBULUTBBPFFUPB-RFGFWPKPSA-N 1 3 240.391 2.064 20 0 BEADHO Cc1ccccc1C1(CN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422899012 387765837 /nfs/dbraw/zinc/76/58/37/387765837.db2.gz GOBRJKCYXFGDAY-GJZGRUSLSA-N 1 3 244.382 2.496 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC12CC2 ZINC000527877279 387767987 /nfs/dbraw/zinc/76/79/87/387767987.db2.gz UAZNILIGSXCKSY-AAEUAGOBSA-N 1 3 220.360 2.027 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccccc1F ZINC000643528324 387768678 /nfs/dbraw/zinc/76/86/78/387768678.db2.gz HAUVSKVRIFENCT-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCc2ccccc21 ZINC000422911244 387769727 /nfs/dbraw/zinc/76/97/27/387769727.db2.gz SJDKPRFDJWGWKZ-XNRPHZJLSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000422912309 387771846 /nfs/dbraw/zinc/77/18/46/387771846.db2.gz VXTQRKMODQERPE-SGMGOOAPSA-N 1 3 232.371 2.432 20 0 BEADHO Cc1ccc(CC[C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643528746 387772188 /nfs/dbraw/zinc/77/21/88/387772188.db2.gz ODQCLZJQHWOEKI-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccc(F)cc1 ZINC000643529031 387772292 /nfs/dbraw/zinc/77/22/92/387772292.db2.gz SZELAAFIKWTLKJ-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO Cc1ccc(CC[C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643528747 387772395 /nfs/dbraw/zinc/77/23/95/387772395.db2.gz ODQCLZJQHWOEKI-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000422919584 387775571 /nfs/dbraw/zinc/77/55/71/387775571.db2.gz KCFFSQCVIZGKFF-DTWKUNHWSA-N 1 3 224.270 2.188 20 0 BEADHO CCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422920239 387775701 /nfs/dbraw/zinc/77/57/01/387775701.db2.gz MAIUUYBMRLOAAM-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)Cc1coc2ccccc12 ZINC000643529893 387776391 /nfs/dbraw/zinc/77/63/91/387776391.db2.gz UNBWQVUENFEBQN-GHMZBOCLSA-N 1 3 232.327 2.301 20 0 BEADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@@H](C)C2CNC2)c1 ZINC000422923154 387777127 /nfs/dbraw/zinc/77/71/27/387777127.db2.gz RHFKXHXBMASYFE-KBPBESRZSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1cc(C)cc(C[C@H](C)N[C@@H](C)C2C[NH2+]C2)c1 ZINC000422923154 387777129 /nfs/dbraw/zinc/77/71/29/387777129.db2.gz RHFKXHXBMASYFE-KBPBESRZSA-N 1 3 246.398 2.432 20 0 BEADHO C[C@H](N[C@H]1C[C@H]1C1CCCCC1)C1C[NH2+]C1 ZINC000422922022 387777346 /nfs/dbraw/zinc/77/73/46/387777346.db2.gz PLIGPVUQYCPUPH-BPNCWPANSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)C1CNC1 ZINC000422922022 387777349 /nfs/dbraw/zinc/77/73/49/387777349.db2.gz PLIGPVUQYCPUPH-BPNCWPANSA-N 1 3 222.376 2.153 20 0 BEADHO CCC[C@H](Cc1ccccc1)NC[C@@H](C)[NH3+] ZINC000643529322 387777575 /nfs/dbraw/zinc/77/75/75/387777575.db2.gz YNLWHDNZFRAJMI-TZMCWYRMSA-N 1 3 220.360 2.335 20 0 BEADHO CCCC1(C[NH2+][C@H](C)C2CNC2)CCC1 ZINC000422932054 387782164 /nfs/dbraw/zinc/78/21/64/387782164.db2.gz YOXYXJQUAKJVQZ-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](NCCc1ccc(Cl)s1)C1C[NH2+]C1 ZINC000422944079 387786390 /nfs/dbraw/zinc/78/63/90/387786390.db2.gz RMCGEVDYVNSEAE-MRVPVSSYSA-N 1 3 244.791 2.142 20 0 BEADHO C[C@@H]([NH2+]CCc1ccc(Cl)s1)C1CNC1 ZINC000422944079 387786391 /nfs/dbraw/zinc/78/63/91/387786391.db2.gz RMCGEVDYVNSEAE-MRVPVSSYSA-N 1 3 244.791 2.142 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000422981031 387790962 /nfs/dbraw/zinc/79/09/62/387790962.db2.gz RXHRYCQCUGFETI-GMOCCLDISA-N 1 3 216.328 2.169 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000422981033 387790975 /nfs/dbraw/zinc/79/09/75/387790975.db2.gz RXHRYCQCUGFETI-WNFXYAGKSA-N 1 3 216.328 2.169 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422983812 387793915 /nfs/dbraw/zinc/79/39/15/387793915.db2.gz VDCNUTOGDNGUQD-LSDHHAIUSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000422986710 387795834 /nfs/dbraw/zinc/79/58/34/387795834.db2.gz HENDSFOIGIUVQS-JHJVBQTASA-N 1 3 208.349 2.073 20 0 BEADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(O)cc1 ZINC000422990782 387799854 /nfs/dbraw/zinc/79/98/54/387799854.db2.gz NYTZLLBGKBDPKG-LSDHHAIUSA-N 1 3 248.370 2.184 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCC1(Cc2ccccc2)CC1 ZINC000422991279 387799914 /nfs/dbraw/zinc/79/99/14/387799914.db2.gz ASQGUNJLCSAEBL-GJZGRUSLSA-N 1 3 244.382 2.479 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000422994482 387801643 /nfs/dbraw/zinc/80/16/43/387801643.db2.gz HVWWTTNLNQOXOJ-DZGCQCFKSA-N 1 3 247.386 2.121 20 0 BEADHO CC[C@@H](N[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422997683 387803397 /nfs/dbraw/zinc/80/33/97/387803397.db2.gz VHFJSTCRFOQMQE-UPJWGTAASA-N 1 3 208.349 2.215 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422997683 387803400 /nfs/dbraw/zinc/80/34/00/387803400.db2.gz VHFJSTCRFOQMQE-UPJWGTAASA-N 1 3 208.349 2.215 20 0 BEADHO COc1cc(C)cc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423001626 387805261 /nfs/dbraw/zinc/80/52/61/387805261.db2.gz IFLVWLNMDFMNES-NEPJUHHUSA-N 1 3 236.359 2.219 20 0 BEADHO COc1cccc(CCCN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422949483 387806704 /nfs/dbraw/zinc/80/67/04/387806704.db2.gz VGFBBEZNNWKGEH-HUUCEWRRSA-N 1 3 248.370 2.097 20 0 BEADHO CC[C@H](NC[C@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422954598 387809351 /nfs/dbraw/zinc/80/93/51/387809351.db2.gz JGGUCRXLEQXDSP-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1CCCN1 ZINC000422954598 387809358 /nfs/dbraw/zinc/80/93/58/387809358.db2.gz JGGUCRXLEQXDSP-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)CCC[NH3+] ZINC000422958322 387811035 /nfs/dbraw/zinc/81/10/35/387811035.db2.gz PGRSCUQPZKJGAN-RISCZKNCSA-N 1 3 248.370 2.454 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC23CC3)C1 ZINC000527855958 387758015 /nfs/dbraw/zinc/75/80/15/387758015.db2.gz XKJUXRAHAQPYRP-MCIONIFRSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000422888757 387759877 /nfs/dbraw/zinc/75/98/77/387759877.db2.gz NTMLAPCPDYEJTE-YNEHKIRRSA-N 1 3 248.370 2.268 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCOc2ccccc21 ZINC000422888757 387759885 /nfs/dbraw/zinc/75/98/85/387759885.db2.gz NTMLAPCPDYEJTE-YNEHKIRRSA-N 1 3 248.370 2.268 20 0 BEADHO C[C@@H](N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000643527055 387760279 /nfs/dbraw/zinc/76/02/79/387760279.db2.gz COEPVTWVMNSRME-PELKAZGASA-N 1 3 224.735 2.264 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCC1 ZINC000422959097 387811818 /nfs/dbraw/zinc/81/18/18/387811818.db2.gz QQOANXAMAUJHSJ-SECBINFHSA-N 1 3 219.332 2.052 20 0 BEADHO C[C@@H](NC[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422972549 387821259 /nfs/dbraw/zinc/82/12/59/387821259.db2.gz MCRKSBSPNHELHB-AGIUHOORSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422972549 387821261 /nfs/dbraw/zinc/82/12/61/387821261.db2.gz MCRKSBSPNHELHB-AGIUHOORSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)C1CCCC1)C1CNC1 ZINC000423004706 387827215 /nfs/dbraw/zinc/82/72/15/387827215.db2.gz PUMQKZXDROWBES-NSHDSACASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H](CCO)C1CCCCC1 ZINC000423007810 387830829 /nfs/dbraw/zinc/83/08/29/387830829.db2.gz RTEQIWBTLPITRT-OUCADQQQSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000423007809 387830980 /nfs/dbraw/zinc/83/09/80/387830980.db2.gz RTEQIWBTLPITRT-OBJOEFQTSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000423008230 387831279 /nfs/dbraw/zinc/83/12/79/387831279.db2.gz ZLFBRUZMVDURIG-MNOVXSKESA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423008702 387831680 /nfs/dbraw/zinc/83/16/80/387831680.db2.gz UDEMXTDHNINPCA-DYEKYZERSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423008702 387831682 /nfs/dbraw/zinc/83/16/82/387831682.db2.gz UDEMXTDHNINPCA-DYEKYZERSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000423007811 387831720 /nfs/dbraw/zinc/83/17/20/387831720.db2.gz RTEQIWBTLPITRT-SCRDCRAPSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423008704 387832259 /nfs/dbraw/zinc/83/22/59/387832259.db2.gz UDEMXTDHNINPCA-YRGRVCCFSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423008704 387832261 /nfs/dbraw/zinc/83/22/61/387832261.db2.gz UDEMXTDHNINPCA-YRGRVCCFSA-N 1 3 236.359 2.188 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000442763709 387833819 /nfs/dbraw/zinc/83/38/19/387833819.db2.gz JBIZKZFUJNSJKW-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000442763709 387833826 /nfs/dbraw/zinc/83/38/26/387833826.db2.gz JBIZKZFUJNSJKW-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CCN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442763709 387833830 /nfs/dbraw/zinc/83/38/30/387833830.db2.gz JBIZKZFUJNSJKW-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccsc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423014950 387838209 /nfs/dbraw/zinc/83/82/09/387838209.db2.gz JPAIKTYFRSYIRM-MNOVXSKESA-N 1 3 226.389 2.314 20 0 BEADHO Cc1ccsc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423014950 387838211 /nfs/dbraw/zinc/83/82/11/387838211.db2.gz JPAIKTYFRSYIRM-MNOVXSKESA-N 1 3 226.389 2.314 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1[C@@H]1CCc2ccc(F)cc21 ZINC000442779846 387839937 /nfs/dbraw/zinc/83/99/37/387839937.db2.gz JQVCJFMBVCIOKL-JRPNMDOOSA-N 1 3 248.345 2.482 20 0 BEADHO Cc1ccc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000643533744 387848794 /nfs/dbraw/zinc/84/87/94/387848794.db2.gz CPKZAQMNLLKCKO-WCQYABFASA-N 1 3 234.343 2.381 20 0 BEADHO CS[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C(C)(C)C ZINC000423031920 387849359 /nfs/dbraw/zinc/84/93/59/387849359.db2.gz LQTSCSQGIJZZAO-GARJFASQSA-N 1 3 230.421 2.234 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@H]1CCCCO1 ZINC000423035477 387851375 /nfs/dbraw/zinc/85/13/75/387851375.db2.gz JOCURWWEOUFBHA-YNEHKIRRSA-N 1 3 228.380 2.051 20 0 BEADHO CC[C@H](CC(F)(F)F)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423041248 387855661 /nfs/dbraw/zinc/85/56/61/387855661.db2.gz WQYKMTHLFRJYJD-IWSPIJDZSA-N 1 3 226.286 2.433 20 0 BEADHO c1ccc(CC2(NC3CC[NH2+]CC3)CC2)cc1 ZINC000423049095 387857213 /nfs/dbraw/zinc/85/72/13/387857213.db2.gz IWIMDFYLWPCCRI-UHFFFAOYSA-N 1 3 230.355 2.103 20 0 BEADHO c1ccc(CC2([NH2+]C3CCNCC3)CC2)cc1 ZINC000423049095 387857219 /nfs/dbraw/zinc/85/72/19/387857219.db2.gz IWIMDFYLWPCCRI-UHFFFAOYSA-N 1 3 230.355 2.103 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423049926 387859952 /nfs/dbraw/zinc/85/99/52/387859952.db2.gz KIIRTQPLWKBNDS-STQMWFEESA-N 1 3 244.448 2.497 20 0 BEADHO CC(C)[C@H](CC(F)(F)F)N[C@H](C)C1C[NH2+]C1 ZINC000423059050 387865470 /nfs/dbraw/zinc/86/54/70/387865470.db2.gz KUYVBRBDQYZXGB-SCZZXKLOSA-N 1 3 238.297 2.161 20 0 BEADHO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)C1CNC1 ZINC000423059050 387865479 /nfs/dbraw/zinc/86/54/79/387865479.db2.gz KUYVBRBDQYZXGB-SCZZXKLOSA-N 1 3 238.297 2.161 20 0 BEADHO CC(C)=CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423066914 387869880 /nfs/dbraw/zinc/86/98/80/387869880.db2.gz FTSLAXKYVZFREE-QWHCGFSZSA-N 1 3 210.365 2.320 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423067848 387870425 /nfs/dbraw/zinc/87/04/25/387870425.db2.gz AHQREBRYQCPVSP-YWPUVAFDSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000422968431 387818612 /nfs/dbraw/zinc/81/86/12/387818612.db2.gz QSUULEAQMAIMSV-VHSXEESVSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423103007 387889822 /nfs/dbraw/zinc/88/98/22/387889822.db2.gz FWRRGSRNMJPVPV-RYUDHWBXSA-N 1 3 228.355 2.246 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC1(C)C)[C@@H]1CCCNC1 ZINC000423110191 387893297 /nfs/dbraw/zinc/89/32/97/387893297.db2.gz OTBOSISQXQQYRC-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC1(C(F)(F)F)CCC1 ZINC000423111662 387893409 /nfs/dbraw/zinc/89/34/09/387893409.db2.gz RABOSKXSZDCJKM-BDAKNGLRSA-N 1 3 238.297 2.434 20 0 BEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc2n[nH]cc2c1 ZINC000423108688 387893483 /nfs/dbraw/zinc/89/34/83/387893483.db2.gz MNTUIIYWLNJULP-GARJFASQSA-N 1 3 246.358 2.339 20 0 BEADHO C[C@H](NC1CC(C)(c2ccccc2)C1)C1C[NH2+]C1 ZINC000423114815 387895351 /nfs/dbraw/zinc/89/53/51/387895351.db2.gz ZWHYOOPSFFHRNM-JQRITLKVSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1CNC1 ZINC000423114815 387895354 /nfs/dbraw/zinc/89/53/54/387895354.db2.gz ZWHYOOPSFFHRNM-JQRITLKVSA-N 1 3 244.382 2.304 20 0 BEADHO COCC[C@@H]([NH2+][C@H]1CCCNCC1)C(C)(C)C ZINC000423117234 387897681 /nfs/dbraw/zinc/89/76/81/387897681.db2.gz UIRYAUYCLAEEGZ-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)C1CC([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000423077635 387876210 /nfs/dbraw/zinc/87/62/10/387876210.db2.gz MLQRICWFRCOTRN-FEPKRQSRSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](CC)Cc1cccs1 ZINC000643540331 387880710 /nfs/dbraw/zinc/88/07/10/387880710.db2.gz YNBYXVSRFRSLJN-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H](NCCC1(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423088363 387880993 /nfs/dbraw/zinc/88/09/93/387880993.db2.gz RRWPZKRVDUDGCK-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO COC1CCC(C)(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423089825 387882966 /nfs/dbraw/zinc/88/29/66/387882966.db2.gz WDTFONJYSSFSDF-FEPKRQSRSA-N 1 3 242.407 2.297 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000423116157 387898575 /nfs/dbraw/zinc/89/85/75/387898575.db2.gz ZRTPHBCBTMPAGT-NURSFMCSSA-N 1 3 233.359 2.298 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423095820 387884492 /nfs/dbraw/zinc/88/44/92/387884492.db2.gz NBZPZLWTEIQICK-GARJFASQSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423093656 387884753 /nfs/dbraw/zinc/88/47/53/387884753.db2.gz IIYFSFTZUGKOFW-GRYCIOLGSA-N 1 3 246.345 2.400 20 0 BEADHO COCC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C(C)(C)C ZINC000423116778 387898703 /nfs/dbraw/zinc/89/87/03/387898703.db2.gz RLSNJDIKOVNTKM-WOPDTQHZSA-N 1 3 230.396 2.153 20 0 BEADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000423100153 387886896 /nfs/dbraw/zinc/88/68/96/387886896.db2.gz GJVIGPILYRZDQH-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000423098911 387887044 /nfs/dbraw/zinc/88/70/44/387887044.db2.gz SXYGHVGSWXHETB-ZJUUUORDSA-N 1 3 212.381 2.384 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1ccccc1F ZINC000423097891 387887289 /nfs/dbraw/zinc/88/72/89/387887289.db2.gz RIUUFAXDKIRNCA-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO CC(C)SCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423101156 387887483 /nfs/dbraw/zinc/88/74/83/387887483.db2.gz CNXDVMJXDKUEHC-NWDGAFQWSA-N 1 3 230.421 2.106 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423101156 387887486 /nfs/dbraw/zinc/88/74/86/387887486.db2.gz CNXDVMJXDKUEHC-NWDGAFQWSA-N 1 3 230.421 2.106 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCC1(C(F)(F)F)CC1 ZINC000423104178 387888767 /nfs/dbraw/zinc/88/87/67/387888767.db2.gz GUVDPRPIQRCVPG-BDAKNGLRSA-N 1 3 236.281 2.046 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423104178 387888770 /nfs/dbraw/zinc/88/87/70/387888770.db2.gz GUVDPRPIQRCVPG-BDAKNGLRSA-N 1 3 236.281 2.046 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423141117 387919057 /nfs/dbraw/zinc/91/90/57/387919057.db2.gz OANSKVKGXCEOGC-XYHOJCAOSA-N 1 3 234.343 2.144 20 0 BEADHO FC(F)(F)C1(C[NH2+]C2CCNCC2)CCC1 ZINC000423115950 387899169 /nfs/dbraw/zinc/89/91/69/387899169.db2.gz ZDVKKQNJYYAAMA-UHFFFAOYSA-N 1 3 236.281 2.061 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423125153 387903718 /nfs/dbraw/zinc/90/37/18/387903718.db2.gz NBIMOAVRAJJYFT-VXGBXAGGSA-N 1 3 228.355 2.376 20 0 BEADHO CO[C@H](C)[C@@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423125610 387905675 /nfs/dbraw/zinc/90/56/75/387905675.db2.gz AKZUMSHHSGBLFG-DGAVXFQQSA-N 1 3 242.407 2.310 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CNC1 ZINC000423130117 387906830 /nfs/dbraw/zinc/90/68/30/387906830.db2.gz MJDTVFHCZXTLHI-QWRGUYRKSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CNC1 ZINC000423130115 387907135 /nfs/dbraw/zinc/90/71/35/387907135.db2.gz MJDTVFHCZXTLHI-GHMZBOCLSA-N 1 3 246.345 2.400 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423128851 387908216 /nfs/dbraw/zinc/90/82/16/387908216.db2.gz QPHLZRDGNNHDBT-XVIXHAIJSA-N 1 3 240.366 2.387 20 0 BEADHO C[C@H](F)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423131225 387909762 /nfs/dbraw/zinc/90/97/62/387909762.db2.gz HPGTUZIDSNVGTE-UMSGYPCISA-N 1 3 228.355 2.245 20 0 BEADHO Cc1cccnc1C(C)(C)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423132743 387910004 /nfs/dbraw/zinc/91/00/04/387910004.db2.gz CCTUIOLCBUFHHX-QWHCGFSZSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000423132743 387910007 /nfs/dbraw/zinc/91/00/07/387910007.db2.gz CCTUIOLCBUFHHX-QWHCGFSZSA-N 1 3 249.402 2.383 20 0 BEADHO C=Cc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423134691 387911910 /nfs/dbraw/zinc/91/19/10/387911910.db2.gz DXSFYMRHJIWMLC-GJZGRUSLSA-N 1 3 230.355 2.342 20 0 BEADHO Cc1cccnc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423151967 387929704 /nfs/dbraw/zinc/92/97/04/387929704.db2.gz LAJIHAIZTSXXRZ-HIFRSBDPSA-N 1 3 247.386 2.182 20 0 BEADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000423151855 387929992 /nfs/dbraw/zinc/92/99/92/387929992.db2.gz CZZSZLWGRCNWHX-QJPTWQEYSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423154339 387931308 /nfs/dbraw/zinc/93/13/08/387931308.db2.gz OQVVGVQHJPVQDZ-ZOBORPQBSA-N 1 3 224.392 2.256 20 0 BEADHO Fc1ccc(CC2(NC3CC[NH2+]CC3)CC2)cc1 ZINC000423154826 387934938 /nfs/dbraw/zinc/93/49/38/387934938.db2.gz KBCACKCZCXRQBE-UHFFFAOYSA-N 1 3 248.345 2.242 20 0 BEADHO Fc1ccc(CC2([NH2+]C3CCNCC3)CC2)cc1 ZINC000423154826 387934944 /nfs/dbraw/zinc/93/49/44/387934944.db2.gz KBCACKCZCXRQBE-UHFFFAOYSA-N 1 3 248.345 2.242 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423157652 387936024 /nfs/dbraw/zinc/93/60/24/387936024.db2.gz BKNZWJQKWIZFAK-FVCCEPFGSA-N 1 3 242.407 2.153 20 0 BEADHO CCC[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423144610 387921253 /nfs/dbraw/zinc/92/12/53/387921253.db2.gz HNAXCDXNLUJMLK-AGIUHOORSA-N 1 3 228.380 2.051 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145444 387922360 /nfs/dbraw/zinc/92/23/60/387922360.db2.gz KROIIFBEYNSCBR-IRCOFANPSA-N 1 3 214.328 2.127 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145449 387922923 /nfs/dbraw/zinc/92/29/23/387922923.db2.gz KROIIFBEYNSCBR-WISYIIOYSA-N 1 3 214.328 2.127 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1CN ZINC000423169742 387954143 /nfs/dbraw/zinc/95/41/43/387954143.db2.gz KJJMILUNTKEYAG-QNWHQSFQSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168909 387954838 /nfs/dbraw/zinc/95/48/38/387954838.db2.gz VIMUDMMBQGYZLQ-RYUDHWBXSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)C1(O)CCCC1 ZINC000423168909 387954843 /nfs/dbraw/zinc/95/48/43/387954843.db2.gz VIMUDMMBQGYZLQ-RYUDHWBXSA-N 1 3 242.407 2.033 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)C1CNC1 ZINC000423160373 387941107 /nfs/dbraw/zinc/94/11/07/387941107.db2.gz QRYRLCZNIMGSNO-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])nc1 ZINC000423160969 387941526 /nfs/dbraw/zinc/94/15/26/387941526.db2.gz IFKVNZSMZPRDKY-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423164136 387946753 /nfs/dbraw/zinc/94/67/53/387946753.db2.gz OBTYGBBOWUCXMG-GHMZBOCLSA-N 1 3 232.318 2.139 20 0 BEADHO CCC[C@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000423164625 387948217 /nfs/dbraw/zinc/94/82/17/387948217.db2.gz XGUKXFFGNJBZKZ-JQWIXIFHSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000423166178 387949784 /nfs/dbraw/zinc/94/97/84/387949784.db2.gz QUMGSJWFUBCCJZ-BDAKNGLRSA-N 1 3 220.307 2.137 20 0 BEADHO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423166482 387950568 /nfs/dbraw/zinc/95/05/68/387950568.db2.gz CSVKKRJCNDOKLI-XGUBFFRZSA-N 1 3 246.354 2.288 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1C[C@@H]1C ZINC000321136875 387951190 /nfs/dbraw/zinc/95/11/90/387951190.db2.gz UOZJOBLZKFHOBI-CYDGBPFRSA-N 1 3 212.381 2.208 20 0 BEADHO C[C@H](NCC[NH3+])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000423181904 387967048 /nfs/dbraw/zinc/96/70/48/387967048.db2.gz JUTMRDUZQPSRFZ-XHNCKOQMSA-N 1 3 244.791 2.442 20 0 BEADHO CC1(C)[C@H](NCCC[NH3+])C[C@@H]1Oc1ccccc1 ZINC000423183212 387967114 /nfs/dbraw/zinc/96/71/14/387967114.db2.gz HJIBXGYBISWHKA-KGLIPLIRSA-N 1 3 248.370 2.171 20 0 BEADHO CC1(C)[C@H]([NH2+]CCCN)C[C@@H]1Oc1ccccc1 ZINC000423183212 387967119 /nfs/dbraw/zinc/96/71/19/387967119.db2.gz HJIBXGYBISWHKA-KGLIPLIRSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCN ZINC000423183206 387968463 /nfs/dbraw/zinc/96/84/63/387968463.db2.gz HINIXSGYGNGIKO-SNVBAGLBSA-N 1 3 242.313 2.224 20 0 BEADHO C[C@H](CCc1ccc(F)cc1F)NCCC[NH3+] ZINC000423183206 387968468 /nfs/dbraw/zinc/96/84/68/387968468.db2.gz HINIXSGYGNGIKO-SNVBAGLBSA-N 1 3 242.313 2.224 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000423180887 387968486 /nfs/dbraw/zinc/96/84/86/387968486.db2.gz KQSVPWGASAJAKJ-UMSGYPCISA-N 1 3 228.355 2.374 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccncc1 ZINC000453067924 387978544 /nfs/dbraw/zinc/97/85/44/387978544.db2.gz SFIQSVDKJLMBDD-HIFRSBDPSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423194540 387980644 /nfs/dbraw/zinc/98/06/44/387980644.db2.gz WTDLUGGTFVYHKE-FVCCEPFGSA-N 1 3 234.343 2.113 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1cccnc1 ZINC000423196500 387981488 /nfs/dbraw/zinc/98/14/88/387981488.db2.gz ZVVPLCTWUUERAA-TZMCWYRMSA-N 1 3 247.386 2.076 20 0 BEADHO Cc1ccccc1C[C@H]([NH2+]CCCN)C1CC1 ZINC000423189151 387973047 /nfs/dbraw/zinc/97/30/47/387973047.db2.gz MOXKXCQKWXBVKP-HNNXBMFYSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1cccnc1 ZINC000423189909 387973454 /nfs/dbraw/zinc/97/34/54/387973454.db2.gz RMIIAMPXRKVELC-RYUDHWBXSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1cccnc1 ZINC000423189907 387973785 /nfs/dbraw/zinc/97/37/85/387973785.db2.gz RMIIAMPXRKVELC-NEPJUHHUSA-N 1 3 235.375 2.075 20 0 BEADHO FCCC[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000423189746 387974655 /nfs/dbraw/zinc/97/46/55/387974655.db2.gz RJDJLUBKTACGKL-YPMHNXCESA-N 1 3 228.355 2.246 20 0 BEADHO CNCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423200789 387987843 /nfs/dbraw/zinc/98/78/43/387987843.db2.gz NFTLGJKFKZNHCJ-HNNXBMFYSA-N 1 3 232.371 2.207 20 0 BEADHO C[NH2+]CCCN[C@@H](Cc1ccccc1)C1CC1 ZINC000423200789 387987846 /nfs/dbraw/zinc/98/78/46/387987846.db2.gz NFTLGJKFKZNHCJ-HNNXBMFYSA-N 1 3 232.371 2.207 20 0 BEADHO CNCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000423200928 387988005 /nfs/dbraw/zinc/98/80/05/387988005.db2.gz NLVVQOVHHQMVGL-UHFFFAOYSA-N 1 3 210.365 2.154 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423201887 387988438 /nfs/dbraw/zinc/98/84/38/387988438.db2.gz QDTTVSTUNYNGIA-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423200790 387988445 /nfs/dbraw/zinc/98/84/45/387988445.db2.gz NFTLGJKFKZNHCJ-OAHLLOKOSA-N 1 3 232.371 2.207 20 0 BEADHO C[NH2+]CCCN[C@H](Cc1ccccc1)C1CC1 ZINC000423200790 387988447 /nfs/dbraw/zinc/98/84/47/387988447.db2.gz NFTLGJKFKZNHCJ-OAHLLOKOSA-N 1 3 232.371 2.207 20 0 BEADHO CO[C@@H](C)[C@@H](C)NCC1([NH3+])CCCCCC1 ZINC000423207686 387994162 /nfs/dbraw/zinc/99/41/62/387994162.db2.gz YEFLYOSHUCXCGT-NEPJUHHUSA-N 1 3 228.380 2.051 20 0 BEADHO CO[C@@H](C)[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423207686 387994165 /nfs/dbraw/zinc/99/41/65/387994165.db2.gz YEFLYOSHUCXCGT-NEPJUHHUSA-N 1 3 228.380 2.051 20 0 BEADHO FC(F)C1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000423210570 387994658 /nfs/dbraw/zinc/99/46/58/387994658.db2.gz JXJQZFCFZPSBEM-UNXYVOJBSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423213065 387995623 /nfs/dbraw/zinc/99/56/23/387995623.db2.gz MUXGXGBFVJPJKR-RQJABVFESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCN ZINC000423197241 387982396 /nfs/dbraw/zinc/98/23/96/387982396.db2.gz YNQMLSTXLMYZQF-SNVBAGLBSA-N 1 3 242.313 2.224 20 0 BEADHO C[C@H](CCc1c(F)cccc1F)NCCC[NH3+] ZINC000423197241 387982404 /nfs/dbraw/zinc/98/24/04/387982404.db2.gz YNQMLSTXLMYZQF-SNVBAGLBSA-N 1 3 242.313 2.224 20 0 BEADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCN)C1 ZINC000423196599 387982756 /nfs/dbraw/zinc/98/27/56/387982756.db2.gz VQMSDFHMKOCHNL-KGLIPLIRSA-N 1 3 247.386 2.355 20 0 BEADHO CCC1(CC)[C@H]([NH2+]CCCNC)[C@H](C)[C@@H]1OC ZINC000423197858 387984762 /nfs/dbraw/zinc/98/47/62/387984762.db2.gz BNROEMAKZHRYBN-XQQFMLRXSA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H](NCCC[NH2+]C)[C@H](C)[C@@H]1OC ZINC000423197858 387984766 /nfs/dbraw/zinc/98/47/66/387984766.db2.gz BNROEMAKZHRYBN-XQQFMLRXSA-N 1 3 242.407 2.025 20 0 BEADHO CNCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000423200398 387985675 /nfs/dbraw/zinc/98/56/75/387985675.db2.gz MDVAJUKAVDMYQJ-ZDUSSCGKSA-N 1 3 212.381 2.400 20 0 BEADHO CCCCO[C@H]1C[C@H](NCCC[NH2+]C)C1(C)C ZINC000423200346 387986698 /nfs/dbraw/zinc/98/66/98/387986698.db2.gz LXVJLUUHBZJCRI-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)[C@@H]1CCCNC1 ZINC000423216063 387997717 /nfs/dbraw/zinc/99/77/17/387997717.db2.gz NYLFJHSSVPZARB-LBELIVKGSA-N 1 3 210.365 2.009 20 0 BEADHO CCC1CC([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000423218003 387999141 /nfs/dbraw/zinc/99/91/41/387999141.db2.gz QYJLLYUGHZNOOR-IGJPJIBNSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382233 388001666 /nfs/dbraw/zinc/00/16/66/388001666.db2.gz RXIWRTXCSBYYOH-XDQVBPFNSA-N 1 3 222.376 2.140 20 0 BEADHO C[NH2+]CCN[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000423222482 388003865 /nfs/dbraw/zinc/00/38/65/388003865.db2.gz BGODMHYNRYOMIM-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C([NH2+][C@H]1CC[C@@H]1C1CCC1)[C@@H]1CCCNC1 ZINC000423212705 387996103 /nfs/dbraw/zinc/99/61/03/387996103.db2.gz MCPMCXJWYBQNBR-BNOWGMLFSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423227600 388011662 /nfs/dbraw/zinc/01/16/62/388011662.db2.gz WIEGCMDNNHYPJE-SRVKXCTJSA-N 1 3 216.344 2.232 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423227599 388011881 /nfs/dbraw/zinc/01/18/81/388011881.db2.gz WIEGCMDNNHYPJE-SDDRHHMPSA-N 1 3 216.344 2.232 20 0 BEADHO CC(=O)Nc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423226900 388012135 /nfs/dbraw/zinc/01/21/35/388012135.db2.gz SRWMMBRYXZCAAG-QWRGUYRKSA-N 1 3 249.358 2.033 20 0 BEADHO C(N[C@@H](C1CC1)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423229411 388015794 /nfs/dbraw/zinc/01/57/94/388015794.db2.gz BFASKISWGDPVFK-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@@H](C1CC1)C1CCCC1)[C@H]1CCCN1 ZINC000423229411 388015798 /nfs/dbraw/zinc/01/57/98/388015798.db2.gz BFASKISWGDPVFK-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO CC[NH2+]CCN[C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423236574 388020746 /nfs/dbraw/zinc/02/07/46/388020746.db2.gz OGVRIXJFZAWJEZ-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423243446 388026063 /nfs/dbraw/zinc/02/60/63/388026063.db2.gz WNMNJRBDSQDEOT-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423243446 388026066 /nfs/dbraw/zinc/02/60/66/388026066.db2.gz WNMNJRBDSQDEOT-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(F)cc1 ZINC000423238548 388022905 /nfs/dbraw/zinc/02/29/05/388022905.db2.gz VPDLPQKFSAOQFF-UWVGGRQHSA-N 1 3 210.296 2.214 20 0 BEADHO C[NH2+]CCN[C@@H]1CCCC12CCCCC2 ZINC000423251583 388033724 /nfs/dbraw/zinc/03/37/24/388033724.db2.gz WEBKWWAMEZFDDQ-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO Cc1ccc([C@@H](C)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000423254668 388036370 /nfs/dbraw/zinc/03/63/70/388036370.db2.gz ZBZPXVPZPMOUID-NEPJUHHUSA-N 1 3 222.332 2.238 20 0 BEADHO Cc1ccnc([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000423256606 388036389 /nfs/dbraw/zinc/03/63/89/388036389.db2.gz CEFOUGZWQGGADI-KGLIPLIRSA-N 1 3 247.386 2.430 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000423262706 388040802 /nfs/dbraw/zinc/04/08/02/388040802.db2.gz NFHMJSKZABALDG-UONOGXRCSA-N 1 3 218.344 2.247 20 0 BEADHO CC(C)O[C@@H]1C[C@H](NC[C@H]([NH3+])C(C)C)C1(C)C ZINC000423263344 388042337 /nfs/dbraw/zinc/04/23/37/388042337.db2.gz AZMOFQPZXHWVTA-RWMBFGLXSA-N 1 3 242.407 2.151 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N)s1 ZINC000261527546 135151703 /nfs/dbraw/zinc/15/17/03/135151703.db2.gz COIJIQJIMNYMAB-SECBINFHSA-N 1 3 212.362 2.444 20 0 BEADHO CCC[C@H](C)[C@H](CC)NCC[NH2+]CC ZINC000423244599 388028421 /nfs/dbraw/zinc/02/84/21/388028421.db2.gz LHXPWKBESVKCKQ-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(F)cc(F)c1 ZINC000423272785 388052998 /nfs/dbraw/zinc/05/29/98/388052998.db2.gz IOHYFPOVLZVZHA-SDBXPKJASA-N 1 3 240.297 2.353 20 0 BEADHO CCC1CC([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423277796 388057731 /nfs/dbraw/zinc/05/77/31/388057731.db2.gz OSSYDZKVWVZAKJ-POOIEITISA-N 1 3 210.365 2.282 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](N)C(C)C ZINC000423277448 388058092 /nfs/dbraw/zinc/05/80/92/388058092.db2.gz PPSBXRKOBQRMKY-ZIAGYGMSSA-N 1 3 248.370 2.255 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000423277042 388059150 /nfs/dbraw/zinc/05/91/50/388059150.db2.gz PJGCQSRCUGGPLN-WUHRBBMRSA-N 1 3 210.365 2.010 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2c1cccc2C ZINC000423280981 388061751 /nfs/dbraw/zinc/06/17/51/388061751.db2.gz VEJIDOJAAJUFQS-NHYWBVRUSA-N 1 3 232.371 2.427 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423281018 388063498 /nfs/dbraw/zinc/06/34/98/388063498.db2.gz VHUIDXIUOZLWBV-AVGNSLFASA-N 1 3 230.371 2.350 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423282363 388065754 /nfs/dbraw/zinc/06/57/54/388065754.db2.gz WLLHVLTXLWESNK-GWCFXTLKSA-N 1 3 210.365 2.010 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423283116 388065983 /nfs/dbraw/zinc/06/59/83/388065983.db2.gz XFRSNHLYAAVQPN-FZMZJTMJSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc2c(c1)COC2 ZINC000423287197 388070722 /nfs/dbraw/zinc/07/07/22/388070722.db2.gz KULXKVSBXRVGDN-SNVBAGLBSA-N 1 3 234.343 2.105 20 0 BEADHO CCCCO[C@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423286396 388070972 /nfs/dbraw/zinc/07/09/72/388070972.db2.gz GZHYSRACNQBIMQ-NEPJUHHUSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000423289893 388074264 /nfs/dbraw/zinc/07/42/64/388074264.db2.gz BXUABONHVNKOKS-BLTAXRJOSA-N 1 3 248.370 2.362 20 0 BEADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423289579 388074293 /nfs/dbraw/zinc/07/42/93/388074293.db2.gz XTMQYWYBEOAMOQ-SNVBAGLBSA-N 1 3 249.358 2.033 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H](C)C[NH3+] ZINC000423297641 388079639 /nfs/dbraw/zinc/07/96/39/388079639.db2.gz LDDUONMPNRSWGX-ABAIWWIYSA-N 1 3 248.370 2.257 20 0 BEADHO Cc1nc2c(s1)[C@H](NC[C@H](C)C[NH3+])CCC2 ZINC000423297512 388079932 /nfs/dbraw/zinc/07/99/32/388079932.db2.gz KPICBQODINCPCP-PSASIEDQSA-N 1 3 239.388 2.013 20 0 BEADHO Cc1ccsc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423298118 388079985 /nfs/dbraw/zinc/07/99/85/388079985.db2.gz NEYUSWNWBPGUGI-SCZZXKLOSA-N 1 3 212.362 2.302 20 0 BEADHO Cc1nc2c(s1)[C@@H](NC[C@H](C)C[NH3+])CCC2 ZINC000423297513 388080295 /nfs/dbraw/zinc/08/02/95/388080295.db2.gz KPICBQODINCPCP-SCZZXKLOSA-N 1 3 239.388 2.013 20 0 BEADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000085734148 388095521 /nfs/dbraw/zinc/09/55/21/388095521.db2.gz JPLCKFBXJXXXFV-OKILXGFUSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1cccs1 ZINC000086494981 388103989 /nfs/dbraw/zinc/10/39/89/388103989.db2.gz XBJGKLGOFMTUGY-NEPJUHHUSA-N 1 3 238.400 2.411 20 0 BEADHO CCC1(CC)[C@H](NC[C@@H](C)C[NH2+]C)C[C@@H]1OC ZINC000423268706 388047136 /nfs/dbraw/zinc/04/71/36/388047136.db2.gz GGLDMSWZTQKQCD-XQQFMLRXSA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H]([NH2+]C[C@@H](C)CNC)C[C@@H]1OC ZINC000423268706 388047138 /nfs/dbraw/zinc/04/71/38/388047138.db2.gz GGLDMSWZTQKQCD-XQQFMLRXSA-N 1 3 242.407 2.025 20 0 BEADHO COc1cccc([C@H](C)[NH2+]C[C@@H](N)C(C)C)c1 ZINC000423269586 388047814 /nfs/dbraw/zinc/04/78/14/388047814.db2.gz VWWJWDQUGODBCT-SMDDNHRTSA-N 1 3 236.359 2.329 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCNC1 ZINC000423213881 388049545 /nfs/dbraw/zinc/04/95/45/388049545.db2.gz LVEJYLCQJPMURG-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+]CC1=CCN(C)CC1 ZINC000449253925 388163766 /nfs/dbraw/zinc/16/37/66/388163766.db2.gz VAUIZTXYTTZLMJ-LBPRGKRZSA-N 1 3 234.343 2.062 20 0 BEADHO [NH3+]CCCCNCc1ccsc1Cl ZINC000312629710 256526283 /nfs/dbraw/zinc/52/62/83/256526283.db2.gz RLKMRMQNNHHGPW-UHFFFAOYSA-N 1 3 218.753 2.230 20 0 BEADHO CC(C)(CN[C@@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000572989748 388403540 /nfs/dbraw/zinc/40/35/40/388403540.db2.gz FCYZANSDBJZPPA-SECBINFHSA-N 1 3 238.297 2.307 20 0 BEADHO CCC(C)(C)OCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000308550697 388442928 /nfs/dbraw/zinc/44/29/28/388442928.db2.gz WONAKGMROFODTE-QWHCGFSZSA-N 1 3 242.407 2.264 20 0 BEADHO CCC(C)(C)OCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000308550697 388442929 /nfs/dbraw/zinc/44/29/29/388442929.db2.gz WONAKGMROFODTE-QWHCGFSZSA-N 1 3 242.407 2.264 20 0 BEADHO FC(F)(F)CCNC1CC[NH+](C2CC2)CC1 ZINC000336679803 388462792 /nfs/dbraw/zinc/46/27/92/388462792.db2.gz XDEPXBPDVFOZSG-UHFFFAOYSA-N 1 3 236.281 2.155 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](c1ccccc1)C1CC1 ZINC000336688912 388463637 /nfs/dbraw/zinc/46/36/37/388463637.db2.gz VWUNXRXGOFEUTB-FZMZJTMJSA-N 1 3 218.344 2.322 20 0 BEADHO CCS[C@H]1CC[C@@H](N(C)CCC[NH2+]C)C1 ZINC000336719418 388467440 /nfs/dbraw/zinc/46/74/40/388467440.db2.gz YEMQVQMZHDTJJW-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@H]1CC[C@@H]([N@H+](C)CCCNC)C1 ZINC000336719418 388467441 /nfs/dbraw/zinc/46/74/41/388467441.db2.gz YEMQVQMZHDTJJW-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCNC)C1 ZINC000336719418 388467444 /nfs/dbraw/zinc/46/74/44/388467444.db2.gz YEMQVQMZHDTJJW-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000070464821 388436826 /nfs/dbraw/zinc/43/68/26/388436826.db2.gz FOZODTOOQCJPOB-CYBMUJFWSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]([NH2+]CCCNC1CC1)[C@@H]1CC1(C)C ZINC000397867827 388506961 /nfs/dbraw/zinc/50/69/61/388506961.db2.gz ZHGCHGBBQHNUBG-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000397864873 388507220 /nfs/dbraw/zinc/50/72/20/388507220.db2.gz ZPEYQIODACHKEI-JXJLXUTGSA-N 1 3 248.395 2.472 20 0 BEADHO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346832532 388520360 /nfs/dbraw/zinc/52/03/60/388520360.db2.gz QXEGAEZHXGSDSM-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346832532 388520361 /nfs/dbraw/zinc/52/03/61/388520361.db2.gz QXEGAEZHXGSDSM-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346832534 388520549 /nfs/dbraw/zinc/52/05/49/388520549.db2.gz QXEGAEZHXGSDSM-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346832534 388520551 /nfs/dbraw/zinc/52/05/51/388520551.db2.gz QXEGAEZHXGSDSM-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000516877922 388522878 /nfs/dbraw/zinc/52/28/78/388522878.db2.gz RAMYPWFOMRYABP-AXFHLTTASA-N 1 3 232.318 2.281 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@H]2CCC[C@H]21 ZINC000550934149 388616913 /nfs/dbraw/zinc/61/69/13/388616913.db2.gz WVMNOXKPDVJCNZ-PEBLQZBPSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@H]2CCC[C@H]21 ZINC000550934149 388616916 /nfs/dbraw/zinc/61/69/16/388616916.db2.gz WVMNOXKPDVJCNZ-PEBLQZBPSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H]2CCC[C@H]21 ZINC000550934149 388616917 /nfs/dbraw/zinc/61/69/17/388616917.db2.gz WVMNOXKPDVJCNZ-PEBLQZBPSA-N 1 3 240.366 2.339 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)CC)C1 ZINC000245547106 388588211 /nfs/dbraw/zinc/58/82/11/388588211.db2.gz XAFHMGNHQRVWDG-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CO[C@H](CN1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000379232141 388599880 /nfs/dbraw/zinc/59/98/80/388599880.db2.gz STVCTTYVGSLHTR-AEGPPILISA-N 1 3 248.370 2.043 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000081572166 388584891 /nfs/dbraw/zinc/58/48/91/388584891.db2.gz BERZUPDNUKPJPD-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000081572166 388584892 /nfs/dbraw/zinc/58/48/92/388584892.db2.gz BERZUPDNUKPJPD-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CC(C)C)C1 ZINC000081572166 388584894 /nfs/dbraw/zinc/58/48/94/388584894.db2.gz BERZUPDNUKPJPD-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CC(C)C)C1 ZINC000081572166 388584895 /nfs/dbraw/zinc/58/48/95/388584895.db2.gz BERZUPDNUKPJPD-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530176646 388621136 /nfs/dbraw/zinc/62/11/36/388621136.db2.gz DUTYDDDUOQFXQM-WOPDTQHZSA-N 1 3 208.349 2.049 20 0 BEADHO CCC[C@H](CC)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178054 388621187 /nfs/dbraw/zinc/62/11/87/388621187.db2.gz NYEKFTYTHWFXEE-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530176645 388621905 /nfs/dbraw/zinc/62/19/05/388621905.db2.gz DUTYDDDUOQFXQM-UTUOFQBUSA-N 1 3 208.349 2.049 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530177318 388622163 /nfs/dbraw/zinc/62/21/63/388622163.db2.gz FYBJECJREZRIJO-NWDGAFQWSA-N 1 3 222.376 2.439 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C1CCCCC1 ZINC000530179353 388622775 /nfs/dbraw/zinc/62/27/75/388622775.db2.gz XDTBEIAFXLFSCR-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530179678 388622784 /nfs/dbraw/zinc/62/27/84/388622784.db2.gz ZUJMZHFLQZCKPP-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530179354 388622810 /nfs/dbraw/zinc/62/28/10/388622810.db2.gz XEDUQMXZMKZMSE-NEPJUHHUSA-N 1 3 210.365 2.295 20 0 BEADHO CNC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC000530207809 388626328 /nfs/dbraw/zinc/62/63/28/388626328.db2.gz DOUQZQDYVDUERR-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO CNC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC000530207809 388626329 /nfs/dbraw/zinc/62/63/29/388626329.db2.gz DOUQZQDYVDUERR-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCCC1(C)C)C1CNC1 ZINC000530210029 388627548 /nfs/dbraw/zinc/62/75/48/388627548.db2.gz KIJLVLLOFDPYBS-WCQYABFASA-N 1 3 224.392 2.400 20 0 BEADHO CC1(C)CC(C[N@@H+]2CCC[C@H](CN)C2)C1 ZINC000530213046 388627870 /nfs/dbraw/zinc/62/78/70/388627870.db2.gz UGYLJVIGPUNHIN-LLVKDONJSA-N 1 3 210.365 2.093 20 0 BEADHO CC1(C)CC(C[N@H+]2CCC[C@H](CN)C2)C1 ZINC000530213046 388627872 /nfs/dbraw/zinc/62/78/72/388627872.db2.gz UGYLJVIGPUNHIN-LLVKDONJSA-N 1 3 210.365 2.093 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530217918 388630622 /nfs/dbraw/zinc/63/06/22/388630622.db2.gz JCWDBKXJBDBPEG-OLZOCXBDSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530217918 388630625 /nfs/dbraw/zinc/63/06/25/388630625.db2.gz JCWDBKXJBDBPEG-OLZOCXBDSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1CN(CC2CC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000530217918 388630626 /nfs/dbraw/zinc/63/06/26/388630626.db2.gz JCWDBKXJBDBPEG-OLZOCXBDSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@@H]1CC1(C)C ZINC000530217646 388630808 /nfs/dbraw/zinc/63/08/08/388630808.db2.gz URYMNCVXKJUVGO-SRVKXCTJSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530219347 388631399 /nfs/dbraw/zinc/63/13/99/388631399.db2.gz LKMQZBZOSXVDCB-RYUDHWBXSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000530222916 388633648 /nfs/dbraw/zinc/63/36/48/388633648.db2.gz IRNCGANPUMHQSV-YPMHNXCESA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1CN ZINC000530222916 388633650 /nfs/dbraw/zinc/63/36/50/388633650.db2.gz IRNCGANPUMHQSV-YPMHNXCESA-N 1 3 224.392 2.339 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000530225301 388634087 /nfs/dbraw/zinc/63/40/87/388634087.db2.gz VNGCNHGMVONRSI-CMPLNLGQSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225301 388634088 /nfs/dbraw/zinc/63/40/88/388634088.db2.gz VNGCNHGMVONRSI-CMPLNLGQSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CC(C)(C)C1 ZINC000530225301 388634089 /nfs/dbraw/zinc/63/40/89/388634089.db2.gz VNGCNHGMVONRSI-CMPLNLGQSA-N 1 3 210.365 2.234 20 0 BEADHO CC(C)(C)CC[NH2+][C@@H]1CCNC12CCC2 ZINC000530242826 388638057 /nfs/dbraw/zinc/63/80/57/388638057.db2.gz DNZRWXXRWGTSSL-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261551914 388644181 /nfs/dbraw/zinc/64/41/81/388644181.db2.gz MOQZSFFIDQFTQJ-SOUVJXGZSA-N 1 3 230.355 2.164 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000224434833 388663707 /nfs/dbraw/zinc/66/37/07/388663707.db2.gz JICUYKZJQAUSGO-YNEHKIRRSA-N 1 3 212.381 2.493 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000539624866 388768051 /nfs/dbraw/zinc/76/80/51/388768051.db2.gz CDGOSYOGYDFAHE-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCOC(C)(C)C)[C@@H](C)C1 ZINC000539624866 388768055 /nfs/dbraw/zinc/76/80/55/388768055.db2.gz CDGOSYOGYDFAHE-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252709042 388772387 /nfs/dbraw/zinc/77/23/87/388772387.db2.gz BWEAWHYGZOGJIB-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000252709042 388772393 /nfs/dbraw/zinc/77/23/93/388772393.db2.gz BWEAWHYGZOGJIB-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252709042 388772397 /nfs/dbraw/zinc/77/23/97/388772397.db2.gz BWEAWHYGZOGJIB-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCOC2CCCCC2)C1 ZINC000093216151 388829726 /nfs/dbraw/zinc/82/97/26/388829726.db2.gz IXZOULNDXDFNFY-CHWSQXEVSA-N 1 3 240.391 2.195 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC(C)(C)OC ZINC000554825665 388832534 /nfs/dbraw/zinc/83/25/34/388832534.db2.gz SJUOEXJKPLGCLC-UHFFFAOYSA-N 1 3 230.396 2.075 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC(C)(C)OC ZINC000554825665 388832535 /nfs/dbraw/zinc/83/25/35/388832535.db2.gz SJUOEXJKPLGCLC-UHFFFAOYSA-N 1 3 230.396 2.075 20 0 BEADHO [NH3+]CCCN[C@@H](CC1CC1)c1ccccc1 ZINC000564791766 388890410 /nfs/dbraw/zinc/89/04/10/388890410.db2.gz CSJKBIIVDKEDKE-AWEZNQCLSA-N 1 3 218.344 2.466 20 0 BEADHO CCC(C)(C)[C@H](C)NC[C@]1(COC)CCC[NH2+]1 ZINC000566062621 388985899 /nfs/dbraw/zinc/98/58/99/388985899.db2.gz RZWVZGUKXMPBGG-JSGCOSHPSA-N 1 3 242.407 2.169 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCCCF)C1 ZINC000352002464 134033657 /nfs/dbraw/zinc/03/36/57/134033657.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCCCF)C1 ZINC000352002464 134033658 /nfs/dbraw/zinc/03/36/58/134033658.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCCCF)C1 ZINC000352002464 134033659 /nfs/dbraw/zinc/03/36/59/134033659.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCCCF)C1 ZINC000352002464 134033660 /nfs/dbraw/zinc/03/36/60/134033660.db2.gz HLSPCFBRRRHUPY-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCF)C1 ZINC000352011220 134035432 /nfs/dbraw/zinc/03/54/32/134035432.db2.gz ACTNQOWWZCJFML-CQSZACIVSA-N 1 3 242.382 2.400 20 0 BEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCF)C1 ZINC000352011220 134035433 /nfs/dbraw/zinc/03/54/33/134035433.db2.gz ACTNQOWWZCJFML-CQSZACIVSA-N 1 3 242.382 2.400 20 0 BEADHO NC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCC1 ZINC000335985688 134038659 /nfs/dbraw/zinc/03/86/59/134038659.db2.gz GFQNVUGAUIGCTQ-ZDUSSCGKSA-N 1 3 234.318 2.284 20 0 BEADHO C[C@@H]1CCN(Cc2cccs2)C[C@@H]1C[NH3+] ZINC000167598861 134118899 /nfs/dbraw/zinc/11/88/99/134118899.db2.gz GOSSCKJLDSKVQF-MNOVXSKESA-N 1 3 224.373 2.165 20 0 BEADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000168693459 134242607 /nfs/dbraw/zinc/24/26/07/134242607.db2.gz KFZULCLPVQNGFO-TZMCWYRMSA-N 1 3 218.344 2.479 20 0 BEADHO C1=CC[C@H](C[NH2+][C@H]2CCCNCC2)CC1 ZINC000168743929 134247707 /nfs/dbraw/zinc/24/77/07/134247707.db2.gz BTKCCUPQEKDWJO-STQMWFEESA-N 1 3 208.349 2.074 20 0 BEADHO C[C@@]1(C[NH2+][C@@H]2CCCNCC2)CCCS1 ZINC000168774067 134247712 /nfs/dbraw/zinc/24/77/12/134247712.db2.gz WFKCVLPTDWTVHJ-NEPJUHHUSA-N 1 3 228.405 2.004 20 0 BEADHO CC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178038500 134302495 /nfs/dbraw/zinc/30/24/95/134302495.db2.gz YQGKXZDJLNVYKF-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000178305170 134305879 /nfs/dbraw/zinc/30/58/79/134305879.db2.gz ISPSKAKNKBEYHR-MJBXVCDLSA-N 1 3 242.407 2.264 20 0 BEADHO Cc1ccc(CN[C@@H](C)CC[NH3+])cc1C ZINC000220539931 134309920 /nfs/dbraw/zinc/30/99/20/134309920.db2.gz MOLSDJOAPFVJJI-LBPRGKRZSA-N 1 3 206.333 2.130 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000224982260 134352405 /nfs/dbraw/zinc/35/24/05/134352405.db2.gz IKGMGMPMCWKKNN-ZIAGYGMSSA-N 1 3 242.407 2.299 20 0 BEADHO CC(C)CCC[N@H+](C)[C@H]1CCCNCC1 ZINC000226468782 134363446 /nfs/dbraw/zinc/36/34/46/134363446.db2.gz OFDNAWPZTLTFAO-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)CCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000226468782 134363447 /nfs/dbraw/zinc/36/34/47/134363447.db2.gz OFDNAWPZTLTFAO-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000226744857 134371099 /nfs/dbraw/zinc/37/10/99/134371099.db2.gz RTPJOXBCXXWEAZ-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)(C)CC[NH2+]CCCN1CCCC1 ZINC000059382898 134391887 /nfs/dbraw/zinc/39/18/87/134391887.db2.gz UQGSOYKAYNJNQV-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]CCCN1CCCCC1 ZINC000163630304 135023079 /nfs/dbraw/zinc/02/30/79/135023079.db2.gz YPHVMPSRDRPHIK-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249815537 135046120 /nfs/dbraw/zinc/04/61/20/135046120.db2.gz RQWSTZLWMOGRNF-OLZOCXBDSA-N 1 3 210.365 2.393 20 0 BEADHO CCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249815537 135046122 /nfs/dbraw/zinc/04/61/22/135046122.db2.gz RQWSTZLWMOGRNF-OLZOCXBDSA-N 1 3 210.365 2.393 20 0 BEADHO CCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000249815537 135046124 /nfs/dbraw/zinc/04/61/24/135046124.db2.gz RQWSTZLWMOGRNF-OLZOCXBDSA-N 1 3 210.365 2.393 20 0 BEADHO CC[C@H](COC)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251098697 135064028 /nfs/dbraw/zinc/06/40/28/135064028.db2.gz QSJINEJGWISMFN-BFHYXJOUSA-N 1 3 242.407 2.312 20 0 BEADHO COCC[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251154561 135065067 /nfs/dbraw/zinc/06/50/67/135065067.db2.gz BFGHGHSGWPHYNT-MELADBBJSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@H]1C[N@H+](CCC2CCCC2)CC[C@H]1N ZINC000251891951 135080269 /nfs/dbraw/zinc/08/02/69/135080269.db2.gz VQPPCRBHGUAXFG-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@@H+](CCC2CCCC2)CC[C@H]1N ZINC000251891951 135080271 /nfs/dbraw/zinc/08/02/71/135080271.db2.gz VQPPCRBHGUAXFG-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CN(CCC2CCCC2)CC[C@H]1[NH3+] ZINC000251891951 135080273 /nfs/dbraw/zinc/08/02/73/135080273.db2.gz VQPPCRBHGUAXFG-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccsc2)C1 ZINC000086404138 135083263 /nfs/dbraw/zinc/08/32/63/135083263.db2.gz MKWDGXXQKGBXIT-GHMZBOCLSA-N 1 3 210.346 2.108 20 0 BEADHO C1CC([NH2+][C@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000086500062 135087434 /nfs/dbraw/zinc/08/74/34/135087434.db2.gz CNGPJEIAUDUBLH-MCIONIFRSA-N 1 3 222.376 2.439 20 0 BEADHO CCc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000252697449 135098336 /nfs/dbraw/zinc/09/83/36/135098336.db2.gz HMBKIVGFRFODGX-IUODEOHRSA-N 1 3 232.371 2.418 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000261599709 135110778 /nfs/dbraw/zinc/11/07/78/135110778.db2.gz ZYJNXGDTPNCJHR-SGMGOOAPSA-N 1 3 218.344 2.335 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000261599708 135111196 /nfs/dbraw/zinc/11/11/96/135111196.db2.gz ZYJNXGDTPNCJHR-OBJOEFQTSA-N 1 3 218.344 2.335 20 0 BEADHO CCSCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252816516 135111730 /nfs/dbraw/zinc/11/17/30/135111730.db2.gz KMJVVIQMIYHQLA-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CCSCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252816516 135111731 /nfs/dbraw/zinc/11/17/31/135111731.db2.gz KMJVVIQMIYHQLA-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000252891164 135116665 /nfs/dbraw/zinc/11/66/65/135116665.db2.gz JPRHVNFZRMBVTD-ZWNOBZJWSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000252891164 135116668 /nfs/dbraw/zinc/11/66/68/135116668.db2.gz JPRHVNFZRMBVTD-ZWNOBZJWSA-N 1 3 238.400 2.486 20 0 BEADHO C[C@@H]1CCN(Cc2cccs2)C[C@H]1C[NH3+] ZINC000253183485 135123095 /nfs/dbraw/zinc/12/30/95/135123095.db2.gz GOSSCKJLDSKVQF-GHMZBOCLSA-N 1 3 224.373 2.165 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253249852 135125638 /nfs/dbraw/zinc/12/56/38/135125638.db2.gz VLLGTZBBXFOEDW-QWHCGFSZSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253249852 135125639 /nfs/dbraw/zinc/12/56/39/135125639.db2.gz VLLGTZBBXFOEDW-QWHCGFSZSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253249852 135125640 /nfs/dbraw/zinc/12/56/40/135125640.db2.gz VLLGTZBBXFOEDW-QWHCGFSZSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257712890 135140823 /nfs/dbraw/zinc/14/08/23/135140823.db2.gz UAKPTSYMRTTXSX-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257712890 135140824 /nfs/dbraw/zinc/14/08/24/135140824.db2.gz UAKPTSYMRTTXSX-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000257782417 135141559 /nfs/dbraw/zinc/14/15/59/135141559.db2.gz QLPVATVGLHXTPK-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000257782417 135141561 /nfs/dbraw/zinc/14/15/61/135141561.db2.gz QLPVATVGLHXTPK-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CNCCC[N@H+](C)CC1CCCCCC1 ZINC000087472287 135142834 /nfs/dbraw/zinc/14/28/34/135142834.db2.gz AWMRIAHGGXYLKZ-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CNCCC[N@@H+](C)CC1CCCCCC1 ZINC000087472287 135142835 /nfs/dbraw/zinc/14/28/35/135142835.db2.gz AWMRIAHGGXYLKZ-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO C[NH2+]CCCN(C)CC1CCCCCC1 ZINC000087472287 135142838 /nfs/dbraw/zinc/14/28/38/135142838.db2.gz AWMRIAHGGXYLKZ-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO C[NH2+]CCCN(C)C[C@H](C)c1ccccc1 ZINC000087472224 135143202 /nfs/dbraw/zinc/14/32/02/135143202.db2.gz QIMHNNHPOKIUCZ-ZDUSSCGKSA-N 1 3 220.360 2.331 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)s1 ZINC000261529413 135156040 /nfs/dbraw/zinc/15/60/40/135156040.db2.gz RVDUOBQYFBGZBJ-GUBZILKMSA-N 1 3 212.362 2.443 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000261529758 135156285 /nfs/dbraw/zinc/15/62/85/135156285.db2.gz VCKMSSLTNUWBAY-IUCAKERBSA-N 1 3 212.724 2.165 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000261529759 135156438 /nfs/dbraw/zinc/15/64/38/135156438.db2.gz VCKMSSLTNUWBAY-RKDXNWHRSA-N 1 3 212.724 2.165 20 0 BEADHO C[C@@H]1C[C@@H]1CNC[C@H]1[NH2+]CCCC1(C)C ZINC000261530064 135157388 /nfs/dbraw/zinc/15/73/88/135157388.db2.gz BVHUYVIEEDFQMW-IJLUTSLNSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCCC1 ZINC000261531168 135159878 /nfs/dbraw/zinc/15/98/78/135159878.db2.gz FLOPIFHKIVAEEP-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCCC1 ZINC000261531169 135159942 /nfs/dbraw/zinc/15/99/42/135159942.db2.gz FLOPIFHKIVAEEP-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000261531515 135160557 /nfs/dbraw/zinc/16/05/57/135160557.db2.gz GVLXDZDGLXIVBD-LBPRGKRZSA-N 1 3 206.333 2.465 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCCC1 ZINC000087647311 135160906 /nfs/dbraw/zinc/16/09/06/135160906.db2.gz LYBKILNMIGMTHZ-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](NC[C@@H](C)c1ccccc1)[C@H](C)[NH3+] ZINC000261531654 135161038 /nfs/dbraw/zinc/16/10/38/135161038.db2.gz HKLLTGQAVHNDHM-GRYCIOLGSA-N 1 3 206.333 2.115 20 0 BEADHO CC(C)(C)CC[NH2+][C@H]1CCNCC1(C)C ZINC000261531856 135161934 /nfs/dbraw/zinc/16/19/34/135161934.db2.gz IBNMQQXKXZGCHV-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000261532599 135163100 /nfs/dbraw/zinc/16/31/00/135163100.db2.gz JXNUEOUCORBLLO-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO [NH3+]CCN1CCC[C@@H]1CC1CCCCC1 ZINC000261534634 135167569 /nfs/dbraw/zinc/16/75/69/135167569.db2.gz MWANPPRIVKFEPD-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO CC(C)(N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000261537388 135173828 /nfs/dbraw/zinc/17/38/28/135173828.db2.gz VLXXLKNKDUNNIX-GFCCVEGCSA-N 1 3 204.317 2.001 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]CC1CCCCC1 ZINC000261538480 135176379 /nfs/dbraw/zinc/17/63/79/135176379.db2.gz YGBVPRXODRERLQ-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261538901 135177311 /nfs/dbraw/zinc/17/73/11/135177311.db2.gz ZSWPITWONYNDLQ-WOPDTQHZSA-N 1 3 206.333 2.381 20 0 BEADHO C[C@H]1CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261539322 135177845 /nfs/dbraw/zinc/17/78/45/135177845.db2.gz CCRCMMGMJILHSB-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261539322 135177846 /nfs/dbraw/zinc/17/78/46/135177846.db2.gz CCRCMMGMJILHSB-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CN(c2ccnc3ccccc32)C[C@H]1[NH3+] ZINC000261540278 135179354 /nfs/dbraw/zinc/17/93/54/135179354.db2.gz FOEYTZBFVYKWDI-CMPLNLGQSA-N 1 3 227.311 2.018 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000261540469 135179600 /nfs/dbraw/zinc/17/96/00/135179600.db2.gz AGBXKHCZLDHUEK-NFAWXSAZSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000261540968 135179945 /nfs/dbraw/zinc/17/99/45/135179945.db2.gz ASTKXPSEOHVVSF-DFBGVHRSSA-N 1 3 230.355 2.262 20 0 BEADHO Cc1ncsc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216806 135192627 /nfs/dbraw/zinc/19/26/27/135192627.db2.gz NTNYQFDCGIOWMU-WDEREUQCSA-N 1 3 239.388 2.059 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000261558090 135198901 /nfs/dbraw/zinc/19/89/01/135198901.db2.gz SGHYVCKLMWNWEF-QWRGUYRKSA-N 1 3 229.327 2.060 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000261558466 135199937 /nfs/dbraw/zinc/19/99/37/135199937.db2.gz SMDHRCZCNLZFJG-WFASDCNBSA-N 1 3 232.371 2.337 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000261561039 135201841 /nfs/dbraw/zinc/20/18/41/135201841.db2.gz FRYYUSRDJCWHSM-INIZCTEOSA-N 1 3 244.382 2.489 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261564568 135206903 /nfs/dbraw/zinc/20/69/03/135206903.db2.gz XTBOXCCVJPHZEX-SRVKXCTJSA-N 1 3 236.359 2.472 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261564573 135207129 /nfs/dbraw/zinc/20/71/29/135207129.db2.gz XTBOXCCVJPHZEX-WOPDTQHZSA-N 1 3 236.359 2.472 20 0 BEADHO Cc1ccccc1CN[C@](C)(C[NH3+])C(C)C ZINC000261571047 135213469 /nfs/dbraw/zinc/21/34/69/135213469.db2.gz HIRCRNYTAPIZMN-CQSZACIVSA-N 1 3 220.360 2.458 20 0 BEADHO CC(C)(N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000261576893 135218660 /nfs/dbraw/zinc/21/86/60/135218660.db2.gz KQTSOIRLNCHWLK-ZDUSSCGKSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)CCO1 ZINC000261580988 135221226 /nfs/dbraw/zinc/22/12/26/135221226.db2.gz QGVDSYPBTDDYBZ-FKGLVLAHSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H](CN1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000261581333 135222407 /nfs/dbraw/zinc/22/24/07/135222407.db2.gz QPBQNOXPLLRNRL-BMFZPTHFSA-N 1 3 244.382 2.331 20 0 BEADHO CC1CCC(C[NH2+][C@H]2CCNC[C@H]2C)CC1 ZINC000261582810 135224204 /nfs/dbraw/zinc/22/42/04/135224204.db2.gz OSIRHHWQUXRDMM-HHTDUIENSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261585621 135226713 /nfs/dbraw/zinc/22/67/13/135226713.db2.gz TYCRLJLTKXELAM-HOCLYGCPSA-N 1 3 244.382 2.345 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C[C@H]1C ZINC000261586988 135228465 /nfs/dbraw/zinc/22/84/65/135228465.db2.gz RLOLMQJTJSSXLZ-XGFWRYKXSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CN(CC2CCC(C)(C)CC2)C[C@@H]1[NH3+] ZINC000261587258 135228616 /nfs/dbraw/zinc/22/86/16/135228616.db2.gz RPIYWLFIMCJURV-YPMHNXCESA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000261592949 135233821 /nfs/dbraw/zinc/23/38/21/135233821.db2.gz WKDRGNXIDPLEGJ-MQYQWHSLSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCNC[C@H]1C ZINC000261593597 135234308 /nfs/dbraw/zinc/23/43/08/135234308.db2.gz WZAZIZISVPFZAX-TZMCWYRMSA-N 1 3 218.344 2.083 20 0 BEADHO C[C@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613992 135244414 /nfs/dbraw/zinc/24/44/14/135244414.db2.gz APCUMVYQUZTZOP-SWLSCSKDSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613992 135244415 /nfs/dbraw/zinc/24/44/15/135244415.db2.gz APCUMVYQUZTZOP-SWLSCSKDSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@H]1CC2(CCC2)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000261740112 135248808 /nfs/dbraw/zinc/24/88/08/135248808.db2.gz IHBACOPDXKTAJN-STQMWFEESA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768988 135251286 /nfs/dbraw/zinc/25/12/86/135251286.db2.gz MIOCHGPBBOSMQM-TZMCWYRMSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768986 135251428 /nfs/dbraw/zinc/25/14/28/135251428.db2.gz MIOCHGPBBOSMQM-OCCSQVGLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[N@H+](C[C@@H]2CCCNC2)CC(C)(C)C1 ZINC000261985108 135270023 /nfs/dbraw/zinc/27/00/23/135270023.db2.gz RVGZBQXHIWFXSL-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[N@@H+](C[C@@H]2CCCNC2)CC(C)(C)C1 ZINC000261985108 135270024 /nfs/dbraw/zinc/27/00/24/135270024.db2.gz RVGZBQXHIWFXSL-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO CC[C@H](COC)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000079713142 135355707 /nfs/dbraw/zinc/35/57/07/135355707.db2.gz YLBGBELYZLKZCT-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@H](COC)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079713142 135355710 /nfs/dbraw/zinc/35/57/10/135355710.db2.gz YLBGBELYZLKZCT-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000084217595 135466989 /nfs/dbraw/zinc/46/69/89/135466989.db2.gz HAOOSEZGYOBHKQ-KPFVRQRISA-N 1 3 210.365 2.282 20 0 BEADHO c1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)C2 ZINC000084385688 135471122 /nfs/dbraw/zinc/47/11/22/135471122.db2.gz IMURBVYVXGBTRE-GFCCVEGCSA-N 1 3 216.328 2.002 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(F)c2)C1 ZINC000086402576 135490814 /nfs/dbraw/zinc/49/08/14/135490814.db2.gz HLGJHGLYWZBHLJ-CHWSQXEVSA-N 1 3 222.307 2.185 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000335363903 136095149 /nfs/dbraw/zinc/09/51/49/136095149.db2.gz UAJUFNFNOKJHHD-WFASDCNBSA-N 1 3 247.386 2.055 20 0 BEADHO C[C@H]([NH2+]C1CCNCC1)C1C(C)(C)C1(C)C ZINC000335571087 136109640 /nfs/dbraw/zinc/10/96/40/136109640.db2.gz ZEIXZJZOPXXSCM-JTQLQIEISA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121269 397801411 /nfs/dbraw/zinc/80/14/11/397801411.db2.gz SBWSGUJIOLOLOM-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO CSCC[C@H](C)[N@H+](C)C[C@H](N)CC(C)C ZINC000156887016 397928495 /nfs/dbraw/zinc/92/84/95/397928495.db2.gz INPGAKYWWZJVDG-NWDGAFQWSA-N 1 3 232.437 2.433 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)C[C@H](N)CC(C)C ZINC000156887016 397928497 /nfs/dbraw/zinc/92/84/97/397928497.db2.gz INPGAKYWWZJVDG-NWDGAFQWSA-N 1 3 232.437 2.433 20 0 BEADHO Cc1sccc1CNCC1=CC[N@H+](C)CC1 ZINC000293143770 397940031 /nfs/dbraw/zinc/94/00/31/397940031.db2.gz DCQHQAYTHZKOEK-UHFFFAOYSA-N 1 3 236.384 2.408 20 0 BEADHO Cc1sccc1CNCC1=CC[N@@H+](C)CC1 ZINC000293143770 397940036 /nfs/dbraw/zinc/94/00/36/397940036.db2.gz DCQHQAYTHZKOEK-UHFFFAOYSA-N 1 3 236.384 2.408 20 0 BEADHO CCc1ccc(CCN2CCC([NH3+])CC2)cc1 ZINC000071536474 397975359 /nfs/dbraw/zinc/97/53/59/397975359.db2.gz MGOBHPFBDOZXNU-UHFFFAOYSA-N 1 3 232.371 2.215 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCC2)C[C@H]1CN ZINC000397321479 397976598 /nfs/dbraw/zinc/97/65/98/397976598.db2.gz SXUIMHBGRVDDCH-NTZNESFSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCC2)C[C@H]1CN ZINC000397321479 397976600 /nfs/dbraw/zinc/97/66/00/397976600.db2.gz SXUIMHBGRVDDCH-NTZNESFSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1cccs1 ZINC000389297142 398068804 /nfs/dbraw/zinc/06/88/04/398068804.db2.gz GZLDWBYAPUDLEI-OPRDCNLKSA-N 1 3 212.362 2.004 20 0 BEADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000313148076 398094959 /nfs/dbraw/zinc/09/49/59/398094959.db2.gz KCZRBEDUXQFOLH-BARDWOONSA-N 1 3 248.370 2.270 20 0 BEADHO C1CC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000086494446 398055236 /nfs/dbraw/zinc/05/52/36/398055236.db2.gz MRUGVJXLUDOKBZ-RWMBFGLXSA-N 1 3 208.349 2.049 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414850665 398058331 /nfs/dbraw/zinc/05/83/31/398058331.db2.gz ZRCNABHJIVZELA-UONOGXRCSA-N 1 3 234.387 2.310 20 0 BEADHO CCc1ccc(CNCCCC[NH+](C)C)o1 ZINC000051725051 398058570 /nfs/dbraw/zinc/05/85/70/398058570.db2.gz AWARFUUCJVAYPG-UHFFFAOYSA-N 1 3 224.348 2.273 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCC(C)(C)OC)C1 ZINC000336691322 398132949 /nfs/dbraw/zinc/13/29/49/398132949.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000336691322 398132951 /nfs/dbraw/zinc/13/29/51/398132951.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCC(C)(C)OC)C1 ZINC000336691322 398132953 /nfs/dbraw/zinc/13/29/53/398132953.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCC(C)(C)OC)C1 ZINC000336691322 398132955 /nfs/dbraw/zinc/13/29/55/398132955.db2.gz GEIRANYNIYDJFM-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CC(C)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000047848617 167009603 /nfs/dbraw/zinc/00/96/03/167009603.db2.gz FWDRLAFYHXNGQI-UHFFFAOYSA-N 1 3 220.360 2.494 20 0 BEADHO CC(C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000037480273 167101881 /nfs/dbraw/zinc/10/18/81/167101881.db2.gz AWKYYQYWSFEXRM-BETUJISGSA-N 1 3 212.381 2.352 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2cccc3c2NCC3)C1 ZINC000334849089 487573271 /nfs/dbraw/zinc/57/32/71/487573271.db2.gz VDIVYAJWHMIKGE-KBPBESRZSA-N 1 3 245.370 2.014 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CC1CC=CC1 ZINC000238559544 487586471 /nfs/dbraw/zinc/58/64/71/487586471.db2.gz IIVPGPJECHLTMJ-CYBMUJFWSA-N 1 3 208.349 2.156 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CC1CC=CC1 ZINC000238559544 487586478 /nfs/dbraw/zinc/58/64/78/487586478.db2.gz IIVPGPJECHLTMJ-CYBMUJFWSA-N 1 3 208.349 2.156 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265618 409563677 /nfs/dbraw/zinc/56/36/77/409563677.db2.gz SDGNNQZPKNRPBN-QMHWVQJVSA-N 1 3 248.414 2.497 20 0 BEADHO CO[C@@H](CN1CCC([NH3+])CC1)C1CCCCC1 ZINC000662241284 409528321 /nfs/dbraw/zinc/52/83/21/409528321.db2.gz RSMGBSPDTKQBGL-AWEZNQCLSA-N 1 3 240.391 2.005 20 0 BEADHO C(CN1CCC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662278450 409598272 /nfs/dbraw/zinc/59/82/72/409598272.db2.gz XRUUNZCOWCLYMD-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404324974 409840677 /nfs/dbraw/zinc/84/06/77/409840677.db2.gz UFVNWHBLXICAMD-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404324974 409840683 /nfs/dbraw/zinc/84/06/83/409840683.db2.gz UFVNWHBLXICAMD-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663498180 410275431 /nfs/dbraw/zinc/27/54/31/410275431.db2.gz MXYQVADCMJXFLP-QPPOZKHWSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498180 410275439 /nfs/dbraw/zinc/27/54/39/410275439.db2.gz MXYQVADCMJXFLP-QPPOZKHWSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000663498983 410275514 /nfs/dbraw/zinc/27/55/14/410275514.db2.gz SSIZDAQYTYEGOY-PNESKVBLSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cccc2c1CCC2 ZINC000650703800 410336111 /nfs/dbraw/zinc/33/61/11/410336111.db2.gz RWLWGIQSZNTADQ-ZDUSSCGKSA-N 1 3 218.344 2.002 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703863 410336616 /nfs/dbraw/zinc/33/66/16/410336616.db2.gz VOULDSMBYVILMX-LRDDRELGSA-N 1 3 244.382 2.263 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000650711704 410340329 /nfs/dbraw/zinc/34/03/29/410340329.db2.gz AKWPUORCABKCGS-LPWJVIDDSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000650711704 410340334 /nfs/dbraw/zinc/34/03/34/410340334.db2.gz AKWPUORCABKCGS-LPWJVIDDSA-N 1 3 210.365 2.092 20 0 BEADHO [NH3+]CC1(CCNCc2ncc(Cl)s2)CC1 ZINC000650714007 410344910 /nfs/dbraw/zinc/34/49/10/410344910.db2.gz MSEUJLZAVKRLLR-UHFFFAOYSA-N 1 3 245.779 2.015 20 0 BEADHO CC(C)([NH3+])CNCC[C@H]1CCc2ccccc2N1 ZINC000650720290 410357403 /nfs/dbraw/zinc/35/74/03/410357403.db2.gz KVCFGKGSJWCMNG-CYBMUJFWSA-N 1 3 247.386 2.130 20 0 BEADHO CC(C)([NH3+])CNCC[C@@H]1CCc2ccccc2N1 ZINC000650720291 410357964 /nfs/dbraw/zinc/35/79/64/410357964.db2.gz KVCFGKGSJWCMNG-ZDUSSCGKSA-N 1 3 247.386 2.130 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)C1C[NH2+]C1 ZINC000650742070 410374542 /nfs/dbraw/zinc/37/45/42/410374542.db2.gz QPVIAVUVDWKGSF-JBLDHEPKSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)C1CNC1 ZINC000650742070 410374545 /nfs/dbraw/zinc/37/45/45/410374545.db2.gz QPVIAVUVDWKGSF-JBLDHEPKSA-N 1 3 210.365 2.009 20 0 BEADHO CS[C@H](C)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000228900393 410450445 /nfs/dbraw/zinc/45/04/45/410450445.db2.gz HHIFPTUBNVWPMY-OASPWFOLSA-N 1 3 236.384 2.472 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc2c1CCC2 ZINC000653280258 410633724 /nfs/dbraw/zinc/63/37/24/410633724.db2.gz JFYJTMZPIDYIJT-WFASDCNBSA-N 1 3 244.382 2.487 20 0 BEADHO C[C@@]1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(F)F ZINC000665266614 410740024 /nfs/dbraw/zinc/74/00/24/410740024.db2.gz GDSMUKNEBQBGSG-AYLPWXGPSA-N 1 3 244.329 2.294 20 0 BEADHO C[C@]1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(F)F ZINC000665266615 410740096 /nfs/dbraw/zinc/74/00/96/410740096.db2.gz GDSMUKNEBQBGSG-MBYGNEARSA-N 1 3 244.329 2.294 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274024 410742962 /nfs/dbraw/zinc/74/29/62/410742962.db2.gz ICUJSGBQJRROHZ-TUVASFSCSA-N 1 3 230.355 2.402 20 0 BEADHO C(N[C@H]1CCCC12CCC2)C12CC(C1)C[NH2+]2 ZINC000665280250 410754654 /nfs/dbraw/zinc/75/46/54/410754654.db2.gz WSWOQFKTSLWART-LXVYMNJGSA-N 1 3 220.360 2.051 20 0 BEADHO C([NH2+][C@H]1CCCC12CCC2)C12CC(C1)CN2 ZINC000665280250 410754660 /nfs/dbraw/zinc/75/46/60/410754660.db2.gz WSWOQFKTSLWART-LXVYMNJGSA-N 1 3 220.360 2.051 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)[C@@H]1C[C@@H]1C ZINC000665282971 410763925 /nfs/dbraw/zinc/76/39/25/410763925.db2.gz FNTZTUVXHNWLQV-LOWDOPEQSA-N 1 3 212.381 2.384 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000665283612 410765680 /nfs/dbraw/zinc/76/56/80/410765680.db2.gz QTASPWLDAXWSLE-NWDGAFQWSA-N 1 3 222.332 2.072 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCCc2ccco2)C1 ZINC000665283612 410765685 /nfs/dbraw/zinc/76/56/85/410765685.db2.gz QTASPWLDAXWSLE-NWDGAFQWSA-N 1 3 222.332 2.072 20 0 BEADHO C[NH2+]C[C@H](C)NC1CCc2ccccc2CC1 ZINC000665297448 410819963 /nfs/dbraw/zinc/81/99/63/410819963.db2.gz GAPQYIJRCSEAJA-LBPRGKRZSA-N 1 3 232.371 2.132 20 0 BEADHO CC(C)C[NH2+]CCCN1CCCC[C@H]1C ZINC000019912957 167003651 /nfs/dbraw/zinc/00/36/51/167003651.db2.gz ASPYMTATKKHQCA-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000022862392 167119518 /nfs/dbraw/zinc/11/95/18/167119518.db2.gz ZKINYGQQLCVZNS-UHFFFAOYSA-N 1 3 206.333 2.246 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCC[C@@H]1CCN ZINC000352504846 167213951 /nfs/dbraw/zinc/21/39/51/167213951.db2.gz VIJFQJJYCMVWCQ-CYBMUJFWSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OCCC[N@H+]1CCCC[C@@H]1CCN ZINC000352504846 167213952 /nfs/dbraw/zinc/21/39/52/167213952.db2.gz VIJFQJJYCMVWCQ-CYBMUJFWSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OCCCN1CCCC[C@@H]1CC[NH3+] ZINC000352504846 167213954 /nfs/dbraw/zinc/21/39/54/167213954.db2.gz VIJFQJJYCMVWCQ-CYBMUJFWSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OC[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374325889 167256441 /nfs/dbraw/zinc/25/64/41/167256441.db2.gz CYTZAOKQVUYKID-MCIONIFRSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OC[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374325889 167256444 /nfs/dbraw/zinc/25/64/44/167256444.db2.gz CYTZAOKQVUYKID-MCIONIFRSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCNCC1)[C@H]1CC1(C)C ZINC000397752827 410933759 /nfs/dbraw/zinc/93/37/59/410933759.db2.gz CGYKLESZRGZHJH-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC1(C)C ZINC000397804449 410934289 /nfs/dbraw/zinc/93/42/89/410934289.db2.gz NBSVFRYNAWJRSG-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO COCC(C)(C)C[NH2+]CCCN(C)CC(C)C ZINC000651866081 411148213 /nfs/dbraw/zinc/14/82/13/411148213.db2.gz UBZQGNDMTHGCBX-UHFFFAOYSA-N 1 3 244.423 2.227 20 0 BEADHO COCC(C)(C)CNCCC[N@H+](C)CC(C)C ZINC000651866081 411148214 /nfs/dbraw/zinc/14/82/14/411148214.db2.gz UBZQGNDMTHGCBX-UHFFFAOYSA-N 1 3 244.423 2.227 20 0 BEADHO COCC(C)(C)CNCCC[N@@H+](C)CC(C)C ZINC000651866081 411148215 /nfs/dbraw/zinc/14/82/15/411148215.db2.gz UBZQGNDMTHGCBX-UHFFFAOYSA-N 1 3 244.423 2.227 20 0 BEADHO CC(C)CC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000109279761 411149811 /nfs/dbraw/zinc/14/98/11/411149811.db2.gz PKVUPVBJRDBEKP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000109279761 411149812 /nfs/dbraw/zinc/14/98/12/411149812.db2.gz PKVUPVBJRDBEKP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000109279761 411149813 /nfs/dbraw/zinc/14/98/13/411149813.db2.gz PKVUPVBJRDBEKP-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H](C)[C@H]1CCCO1 ZINC000652221938 411175820 /nfs/dbraw/zinc/17/58/20/411175820.db2.gz AIQRZAKXYBCGJH-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H](C)[C@H]1CCCO1 ZINC000652221938 411175821 /nfs/dbraw/zinc/17/58/21/411175821.db2.gz AIQRZAKXYBCGJH-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000652221938 411175824 /nfs/dbraw/zinc/17/58/24/411175824.db2.gz AIQRZAKXYBCGJH-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cccc(CCC[NH2+][C@H]2CCC[C@H](N)C2)n1 ZINC000656199181 411202239 /nfs/dbraw/zinc/20/22/39/411202239.db2.gz VIVVZQHGILHZEK-ZFWWWQNUSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccc(CCCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656199181 411202241 /nfs/dbraw/zinc/20/22/41/411202241.db2.gz VIVVZQHGILHZEK-ZFWWWQNUSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)C1CCC(F)(F)CC1 ZINC000656201959 411207964 /nfs/dbraw/zinc/20/79/64/411207964.db2.gz VUEKZNURSFHTJN-ZJUUUORDSA-N 1 3 246.345 2.398 20 0 BEADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCC1C[NH2+]C1 ZINC000423306710 411237492 /nfs/dbraw/zinc/23/74/92/411237492.db2.gz UGPXSHLPFQSSGY-CABCVRRESA-N 1 3 244.382 2.378 20 0 BEADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CC1CNC1 ZINC000423306710 411237495 /nfs/dbraw/zinc/23/74/95/411237495.db2.gz UGPXSHLPFQSSGY-CABCVRRESA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423307131 411238770 /nfs/dbraw/zinc/23/87/70/411238770.db2.gz MMZLZRVGLLBHLI-UMVBOHGHSA-N 1 3 247.386 2.292 20 0 BEADHO CCC1CCC(N(C)C[C@H]2CC[NH2+]C2)CC1 ZINC000051889683 411285100 /nfs/dbraw/zinc/28/51/00/411285100.db2.gz OKSCAFOTVJMFSJ-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO CCCCCN(C[C@H]1CC[NH2+]C1)C(C)C ZINC000051889788 411285378 /nfs/dbraw/zinc/28/53/78/411285378.db2.gz RTIZFLQHVGZQDV-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@]2(C)CC2(F)F)CC1 ZINC000658218055 411297662 /nfs/dbraw/zinc/29/76/62/411297662.db2.gz GUNYVIYCDNUWPY-LBPRGKRZSA-N 1 3 246.345 2.494 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@]2(C)CC2(F)F)CC1 ZINC000658218054 411297870 /nfs/dbraw/zinc/29/78/70/411297870.db2.gz GUNYVIYCDNUWPY-GFCCVEGCSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H](NCC2CCCCC2)C1 ZINC000401784573 411330785 /nfs/dbraw/zinc/33/07/85/411330785.db2.gz YWAIDSPSSYKKGM-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)(N)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656792159 411372844 /nfs/dbraw/zinc/37/28/44/411372844.db2.gz OQCUVYDZBXVULE-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)(N)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656792159 411372848 /nfs/dbraw/zinc/37/28/48/411372848.db2.gz OQCUVYDZBXVULE-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000656791876 411372868 /nfs/dbraw/zinc/37/28/68/411372868.db2.gz LPDYLVKAXOUIQJ-QWHCGFSZSA-N 1 3 230.371 2.431 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000656791876 411372871 /nfs/dbraw/zinc/37/28/71/411372871.db2.gz LPDYLVKAXOUIQJ-QWHCGFSZSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)c1ccccn1 ZINC000656782021 411360234 /nfs/dbraw/zinc/36/02/34/411360234.db2.gz CQPFEEXOGQDTOR-MJBXVCDLSA-N 1 3 247.386 2.305 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1CCNC1 ZINC000656788235 411367723 /nfs/dbraw/zinc/36/77/23/411367723.db2.gz YIYUXJRZJZTJPX-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO Cc1ccc(CCCNCC2([NH3+])CCCC2)cn1 ZINC000656789472 411369382 /nfs/dbraw/zinc/36/93/82/411369382.db2.gz OKVZFDSJDMRSEC-UHFFFAOYSA-N 1 3 247.386 2.184 20 0 BEADHO CCCC[C@@H](COC)[NH2+]CC1(N)CCCC1 ZINC000656789574 411369577 /nfs/dbraw/zinc/36/95/77/411369577.db2.gz RDPRQSPSUOGHRC-LBPRGKRZSA-N 1 3 228.380 2.053 20 0 BEADHO CCCC[C@@H](COC)NCC1([NH3+])CCCC1 ZINC000656789574 411369578 /nfs/dbraw/zinc/36/95/78/411369578.db2.gz RDPRQSPSUOGHRC-LBPRGKRZSA-N 1 3 228.380 2.053 20 0 BEADHO C[C@@]1(CN2CCC[C@H](CCF)C2)CC[NH2+]C1 ZINC000656792227 411371566 /nfs/dbraw/zinc/37/15/66/411371566.db2.gz PUHYGXMZPWHWJN-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000656791872 411371587 /nfs/dbraw/zinc/37/15/87/411371587.db2.gz LPDYLVKAXOUIQJ-CHWSQXEVSA-N 1 3 230.371 2.431 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CCF)C1 ZINC000656791872 411371589 /nfs/dbraw/zinc/37/15/89/411371589.db2.gz LPDYLVKAXOUIQJ-CHWSQXEVSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@]1(CN2CCC[C@@H](CCF)C2)CC[NH2+]C1 ZINC000656792230 411372246 /nfs/dbraw/zinc/37/22/46/411372246.db2.gz PUHYGXMZPWHWJN-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO CC1(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000336744144 168021600 /nfs/dbraw/zinc/02/16/00/168021600.db2.gz PVEDFGALRKHUCT-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000336744144 168021601 /nfs/dbraw/zinc/02/16/01/168021601.db2.gz PVEDFGALRKHUCT-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336744144 168021602 /nfs/dbraw/zinc/02/16/02/168021602.db2.gz PVEDFGALRKHUCT-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000336744146 168022729 /nfs/dbraw/zinc/02/27/29/168022729.db2.gz PVEDFGALRKHUCT-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000336744146 168022733 /nfs/dbraw/zinc/02/27/33/168022733.db2.gz PVEDFGALRKHUCT-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000336744146 168022735 /nfs/dbraw/zinc/02/27/35/168022735.db2.gz PVEDFGALRKHUCT-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000656791875 411372631 /nfs/dbraw/zinc/37/26/31/411372631.db2.gz LPDYLVKAXOUIQJ-OLZOCXBDSA-N 1 3 230.371 2.431 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CCF)C1 ZINC000656791875 411372635 /nfs/dbraw/zinc/37/26/35/411372635.db2.gz LPDYLVKAXOUIQJ-OLZOCXBDSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H](NCCC1CC[NH2+]CC1)c1nccs1 ZINC000070733419 411384755 /nfs/dbraw/zinc/38/47/55/411384755.db2.gz ROGSSYLMJNZDIE-SNVBAGLBSA-N 1 3 239.388 2.183 20 0 BEADHO CC[C@@H]1C[C@H](NC2CC[NH+](C(C)C)CC2)CO1 ZINC000657294090 411449838 /nfs/dbraw/zinc/44/98/38/411449838.db2.gz CYUSROVXKNZVOY-UONOGXRCSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000415011674 411488133 /nfs/dbraw/zinc/48/81/33/411488133.db2.gz RFTWNRKVEVYCFG-NEPJUHHUSA-N 1 3 236.359 2.299 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990229 411521164 /nfs/dbraw/zinc/52/11/64/411521164.db2.gz YYDFMZQWTGOARH-APIJFGDWSA-N 1 3 236.403 2.306 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990229 411521168 /nfs/dbraw/zinc/52/11/68/411521168.db2.gz YYDFMZQWTGOARH-APIJFGDWSA-N 1 3 236.403 2.306 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000037644020 170007623 /nfs/dbraw/zinc/00/76/23/170007623.db2.gz OJIFYRBJJVRVRB-STQMWFEESA-N 1 3 233.359 2.074 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2)C1 ZINC000037643746 170008325 /nfs/dbraw/zinc/00/83/25/170008325.db2.gz HFYVBKZQCLMAQM-AWEZNQCLSA-N 1 3 248.370 2.127 20 0 BEADHO CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000037241745 170108307 /nfs/dbraw/zinc/10/83/07/170108307.db2.gz HPDIJDYOJCMWET-UHFFFAOYSA-N 1 3 210.365 2.393 20 0 BEADHO CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000037241745 170108308 /nfs/dbraw/zinc/10/83/08/170108308.db2.gz HPDIJDYOJCMWET-UHFFFAOYSA-N 1 3 210.365 2.393 20 0 BEADHO CCNCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042302681 170114004 /nfs/dbraw/zinc/11/40/04/170114004.db2.gz GIKOPQSOMMGUJO-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO CCNCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000042302681 170114007 /nfs/dbraw/zinc/11/40/07/170114007.db2.gz GIKOPQSOMMGUJO-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO c1coc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000657781638 411597270 /nfs/dbraw/zinc/59/72/70/411597270.db2.gz FOAJYVQJXKACJN-KBPBESRZSA-N 1 3 248.370 2.429 20 0 BEADHO c1coc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000657781638 411597271 /nfs/dbraw/zinc/59/72/71/411597271.db2.gz FOAJYVQJXKACJN-KBPBESRZSA-N 1 3 248.370 2.429 20 0 BEADHO CC[N@@H+]1CCC[C@@H](Nc2nccc3[nH]ccc32)C1 ZINC000663415801 411653204 /nfs/dbraw/zinc/65/32/04/411653204.db2.gz ROYZXAJGJIZGNE-LLVKDONJSA-N 1 3 244.342 2.459 20 0 BEADHO CC[N@H+]1CCC[C@@H](Nc2nccc3[nH]ccc32)C1 ZINC000663415801 411653210 /nfs/dbraw/zinc/65/32/10/411653210.db2.gz ROYZXAJGJIZGNE-LLVKDONJSA-N 1 3 244.342 2.459 20 0 BEADHO CC1CC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)C1 ZINC000663466385 411666320 /nfs/dbraw/zinc/66/63/20/411666320.db2.gz SCDYGVWMVNZYHT-BLZCZZARSA-N 1 3 236.403 2.497 20 0 BEADHO C([NH2+][C@H]1CCCC[C@@H]1C1CC1)C12CC(C1)CN2 ZINC000663497286 411679226 /nfs/dbraw/zinc/67/92/26/411679226.db2.gz CSWLDTULWRSCTL-YTELLUSKSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@H]1CCCC[C@@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000663497286 411679228 /nfs/dbraw/zinc/67/92/28/411679228.db2.gz CSWLDTULWRSCTL-YTELLUSKSA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+]CC12CC(C1)CN2 ZINC000663497300 411679782 /nfs/dbraw/zinc/67/97/82/411679782.db2.gz CXLOKPZNAFEBQP-XGNXJENSSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](C[NH2+]CC12CC(C1)CN2)c1ccccc1 ZINC000663499505 411683234 /nfs/dbraw/zinc/68/32/34/411683234.db2.gz XFKBESQYPCTJPU-DNOWBOINSA-N 1 3 230.355 2.132 20 0 BEADHO C[NH2+]C[C@@H](C)NC[C@@H]1CCCC(C)(C)C1 ZINC000663508782 411690851 /nfs/dbraw/zinc/69/08/51/411690851.db2.gz DKTRKYZICCPUJJ-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@H](C)NC[C@@H](C)CCc1ccccc1 ZINC000663510012 411693580 /nfs/dbraw/zinc/69/35/80/411693580.db2.gz NRQSUPVOZHSFNO-KBPBESRZSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]C[C@@H](C)NC[C@H](C)CCc1ccccc1 ZINC000663510015 411693741 /nfs/dbraw/zinc/69/37/41/411693741.db2.gz NRQSUPVOZHSFNO-ZIAGYGMSSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000663514763 411694697 /nfs/dbraw/zinc/69/46/97/411694697.db2.gz SUETUBSAYQSNEW-GRYCIOLGSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH+](C)[C@@H](CNc1nccc2[nH]ccc21)C1CC1 ZINC000663548476 411701377 /nfs/dbraw/zinc/70/13/77/411701377.db2.gz RCRIILYGEQCIRH-ZDUSSCGKSA-N 1 3 244.342 2.315 20 0 BEADHO CC[N@@H+]1C[C@@H](C)[C@H](Nc2nccc3[nH]ccc32)C1 ZINC000663708326 411726946 /nfs/dbraw/zinc/72/69/46/411726946.db2.gz NNJPTBKOJIQMLC-ZWNOBZJWSA-N 1 3 244.342 2.315 20 0 BEADHO CC[N@H+]1C[C@@H](C)[C@H](Nc2nccc3[nH]ccc32)C1 ZINC000663708326 411726950 /nfs/dbraw/zinc/72/69/50/411726950.db2.gz NNJPTBKOJIQMLC-ZWNOBZJWSA-N 1 3 244.342 2.315 20 0 BEADHO CN(CC1C[NH+](C)C1)c1ccnc2ccccc21 ZINC000664332522 411924785 /nfs/dbraw/zinc/92/47/85/411924785.db2.gz ZIUHNBNKTIYPTF-UHFFFAOYSA-N 1 3 241.338 2.233 20 0 BEADHO C(CN1CC[C@@H]2C[C@@H]2C1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972372 411928715 /nfs/dbraw/zinc/92/87/15/411928715.db2.gz PVDFFOAKOJUVTO-KBUPBQIOSA-N 1 3 234.387 2.060 20 0 BEADHO C(CN1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972372 411928717 /nfs/dbraw/zinc/92/87/17/411928717.db2.gz PVDFFOAKOJUVTO-KBUPBQIOSA-N 1 3 234.387 2.060 20 0 BEADHO CN(CCCC1CCC1)CC(C)(C)C[NH3+] ZINC000662247810 412037042 /nfs/dbraw/zinc/03/70/42/412037042.db2.gz LOINIDNCFLGFCD-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@H](CC(F)F)CN1CCC([NH3+])CC1 ZINC000662239710 412037420 /nfs/dbraw/zinc/03/74/20/412037420.db2.gz FWHPMCYKDIBCSE-SECBINFHSA-N 1 3 220.307 2.091 20 0 BEADHO CC(C)=CCC[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000662245760 412043002 /nfs/dbraw/zinc/04/30/02/412043002.db2.gz OKZXUSFQLABCMR-OLZOCXBDSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCC[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000662245760 412043005 /nfs/dbraw/zinc/04/30/05/412043005.db2.gz OKZXUSFQLABCMR-OLZOCXBDSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662245760 412043008 /nfs/dbraw/zinc/04/30/08/412043008.db2.gz OKZXUSFQLABCMR-OLZOCXBDSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)[C@H](N)CC[N@H+](C)CC1CC=CC1 ZINC000662247808 412044885 /nfs/dbraw/zinc/04/48/85/412044885.db2.gz LOCKZNMTLZBEJZ-CYBMUJFWSA-N 1 3 210.365 2.258 20 0 BEADHO CC(C)[C@H](N)CC[N@@H+](C)CC1CC=CC1 ZINC000662247808 412044887 /nfs/dbraw/zinc/04/48/87/412044887.db2.gz LOCKZNMTLZBEJZ-CYBMUJFWSA-N 1 3 210.365 2.258 20 0 BEADHO CCC(CC)(CC)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662259203 412054635 /nfs/dbraw/zinc/05/46/35/412054635.db2.gz RVGPTCRIUOSXEH-GFCCVEGCSA-N 1 3 240.391 2.066 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN(C)C(C)C ZINC000336771827 171042733 /nfs/dbraw/zinc/04/27/33/171042733.db2.gz WZUVBHZLWLONQL-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1N ZINC000134107001 412061416 /nfs/dbraw/zinc/06/14/16/412061416.db2.gz NFNSFCFEEKOLCQ-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1N ZINC000134107001 412061419 /nfs/dbraw/zinc/06/14/19/412061419.db2.gz NFNSFCFEEKOLCQ-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281971 412073372 /nfs/dbraw/zinc/07/33/72/412073372.db2.gz AHOSPJDAPAEIIT-MBNYWOFBSA-N 1 3 222.376 2.258 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281971 412073375 /nfs/dbraw/zinc/07/33/75/412073375.db2.gz AHOSPJDAPAEIIT-MBNYWOFBSA-N 1 3 222.376 2.258 20 0 BEADHO CC[C@H](C)C[NH2+]CCCN(CC)CC ZINC000020090544 171285105 /nfs/dbraw/zinc/28/51/05/171285105.db2.gz DSIRHQQSEVXZKQ-LBPRGKRZSA-N 1 3 200.370 2.354 20 0 BEADHO CC[C@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000337256634 171319624 /nfs/dbraw/zinc/31/96/24/171319624.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256634 171319626 /nfs/dbraw/zinc/31/96/26/171319626.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000337256634 171319628 /nfs/dbraw/zinc/31/96/28/171319628.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000337256634 171319630 /nfs/dbraw/zinc/31/96/30/171319630.db2.gz SMVXTMXOIQISSJ-JSGCOSHPSA-N 1 3 224.392 2.449 20 0 BEADHO CCCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321737 412099643 /nfs/dbraw/zinc/09/96/43/412099643.db2.gz SJGSNOKSMGHTRH-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CCCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321733 412100848 /nfs/dbraw/zinc/10/08/48/412100848.db2.gz SJGSNOKSMGHTRH-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237451 412179094 /nfs/dbraw/zinc/17/90/94/412179094.db2.gz BGPPMHDJBOWDSY-OLZOCXBDSA-N 1 3 230.311 2.402 20 0 BEADHO Cc1ccncc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665239021 412181412 /nfs/dbraw/zinc/18/14/12/412181412.db2.gz KGJYFWYXDDQNTO-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000665245470 412188737 /nfs/dbraw/zinc/18/87/37/412188737.db2.gz JSAVNBIJPHQENB-KBPBESRZSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@H](CCc1ccco1)NCC1([NH3+])CCCC1 ZINC000665248960 412194292 /nfs/dbraw/zinc/19/42/92/412194292.db2.gz GOSSAGCXUSWJKN-GFCCVEGCSA-N 1 3 236.359 2.462 20 0 BEADHO C[C@@H](CCc1ccco1)NCC1([NH3+])CCCC1 ZINC000665248961 412195071 /nfs/dbraw/zinc/19/50/71/412195071.db2.gz GOSSAGCXUSWJKN-LBPRGKRZSA-N 1 3 236.359 2.462 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1=CCCC1 ZINC000665273872 412215245 /nfs/dbraw/zinc/21/52/45/412215245.db2.gz FZLFKNMVHLDKMU-WCQYABFASA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1=CCCC1 ZINC000665273872 412215249 /nfs/dbraw/zinc/21/52/49/412215249.db2.gz FZLFKNMVHLDKMU-WCQYABFASA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000665263046 412205068 /nfs/dbraw/zinc/20/50/68/412205068.db2.gz FDRATALTNLTQEE-NDKCEZKHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN1 ZINC000665263046 412205070 /nfs/dbraw/zinc/20/50/70/412205070.db2.gz FDRATALTNLTQEE-NDKCEZKHSA-N 1 3 222.376 2.153 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccoc1 ZINC000665262275 412205904 /nfs/dbraw/zinc/20/59/04/412205904.db2.gz XWDQSOBEVWTHIV-CHWSQXEVSA-N 1 3 222.332 2.072 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1(F)F ZINC000665265735 412209237 /nfs/dbraw/zinc/20/92/37/412209237.db2.gz ZWTYMEJWXRNBAJ-OUAUKWLOSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000665266912 412211115 /nfs/dbraw/zinc/21/11/15/412211115.db2.gz LTQLQQNPADMTMK-AEJSXWLSSA-N 1 3 220.307 2.137 20 0 BEADHO C([NH2+]C1C2CC3CC(C2)CC1C3)C12CC(C1)CN2 ZINC000665277063 412219196 /nfs/dbraw/zinc/21/91/96/412219196.db2.gz RXVRUAHDPGNWKY-UHFFFAOYSA-N 1 3 246.398 2.153 20 0 BEADHO C(NC1C2CC3CC(C2)CC1C3)C12CC(C1)C[NH2+]2 ZINC000665277063 412219199 /nfs/dbraw/zinc/21/91/99/412219199.db2.gz RXVRUAHDPGNWKY-UHFFFAOYSA-N 1 3 246.398 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1NCC12CC(C1)C[NH2+]2 ZINC000665277550 412220905 /nfs/dbraw/zinc/22/09/05/412220905.db2.gz FHIXUYNPPSMRPT-IBQNZTRDSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279649 412221012 /nfs/dbraw/zinc/22/10/12/412221012.db2.gz IJEVFMARUQCIJN-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000665279649 412221014 /nfs/dbraw/zinc/22/10/14/412221014.db2.gz IJEVFMARUQCIJN-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665278332 412221708 /nfs/dbraw/zinc/22/17/08/412221708.db2.gz BETDUBZTNVQTFD-MBHSVXNSSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000665278332 412221712 /nfs/dbraw/zinc/22/17/12/412221712.db2.gz BETDUBZTNVQTFD-MBHSVXNSSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665278785 412222355 /nfs/dbraw/zinc/22/23/55/412222355.db2.gz OUTFCAZSGBTKKA-CEUNDQEZSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665278785 412222357 /nfs/dbraw/zinc/22/23/57/412222357.db2.gz OUTFCAZSGBTKKA-CEUNDQEZSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279711 412223118 /nfs/dbraw/zinc/22/31/18/412223118.db2.gz KHYUVWHGHPJYED-WDBLDGLGSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CC(C)(C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279711 412223119 /nfs/dbraw/zinc/22/31/19/412223119.db2.gz KHYUVWHGHPJYED-WDBLDGLGSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H]([NH2+]CC12CC(C1)CN2)C1CCCC1 ZINC000665279790 412223338 /nfs/dbraw/zinc/22/33/38/412223338.db2.gz MIQKBPKJISSIBV-HRDQMINSSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H](NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665279790 412223341 /nfs/dbraw/zinc/22/33/41/412223341.db2.gz MIQKBPKJISSIBV-HRDQMINSSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]CC12CC(C1)CN2)C1C(C)(C)C1(C)C ZINC000665279232 412223372 /nfs/dbraw/zinc/22/33/72/412223372.db2.gz ZTYDIYUAIRNHLA-NLTNOIMHSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H](NCC12CC(C1)C[NH2+]2)C1C(C)(C)C1(C)C ZINC000665279232 412223375 /nfs/dbraw/zinc/22/33/75/412223375.db2.gz ZTYDIYUAIRNHLA-NLTNOIMHSA-N 1 3 236.403 2.399 20 0 BEADHO C([NH2+][C@H]1CCCC12CCCC2)C12CC(C1)CN2 ZINC000665279660 412223419 /nfs/dbraw/zinc/22/34/19/412223419.db2.gz IOGKBFUHXDRXNP-OWYJLGKBSA-N 1 3 234.387 2.441 20 0 BEADHO C(N[C@H]1CCCC12CCCC2)C12CC(C1)C[NH2+]2 ZINC000665279660 412223422 /nfs/dbraw/zinc/22/34/22/412223422.db2.gz IOGKBFUHXDRXNP-OWYJLGKBSA-N 1 3 234.387 2.441 20 0 BEADHO CC(C)[C@H](N)CC[NH2+]C1CC(C(C)C)C1 ZINC000665281853 412225976 /nfs/dbraw/zinc/22/59/76/412225976.db2.gz LZATYHPBQPONQY-WXRRBKDZSA-N 1 3 212.381 2.384 20 0 BEADHO CC(C)[C@H]([NH3+])CCNC1CC(C(C)C)C1 ZINC000665281853 412225980 /nfs/dbraw/zinc/22/59/80/412225980.db2.gz LZATYHPBQPONQY-WXRRBKDZSA-N 1 3 212.381 2.384 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCCc1ccco1 ZINC000665283651 412229642 /nfs/dbraw/zinc/22/96/42/412229642.db2.gz RRVRVOWFFBEYKQ-KGLIPLIRSA-N 1 3 236.359 2.462 20 0 BEADHO COc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000665294076 412239421 /nfs/dbraw/zinc/23/94/21/412239421.db2.gz HNEMULQUUMDAGG-ZIAGYGMSSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C1CNC1 ZINC000665300636 412250021 /nfs/dbraw/zinc/25/00/21/412250021.db2.gz GSXKNLBKSPBEGF-MRVPVSSYSA-N 1 3 238.297 2.163 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000309667604 172978523 /nfs/dbraw/zinc/97/85/23/172978523.db2.gz UUUFMVHXPAFKMH-ZDUSSCGKSA-N 1 3 222.376 2.417 20 0 BEADHO C[N@@H+]1CCCC[C@H]1CCN[C@@H]1CCOC1(C)C ZINC000328278708 173006764 /nfs/dbraw/zinc/00/67/64/173006764.db2.gz YSBNICBXVQCCNC-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CCCC[C@H]1CCN[C@@H]1CCOC1(C)C ZINC000328278708 173006767 /nfs/dbraw/zinc/00/67/67/173006767.db2.gz YSBNICBXVQCCNC-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000367158590 173058402 /nfs/dbraw/zinc/05/84/02/173058402.db2.gz TVEVJMHEDBUNRN-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000367158590 173058405 /nfs/dbraw/zinc/05/84/05/173058405.db2.gz TVEVJMHEDBUNRN-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@@H+]1CC[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000292206511 173167362 /nfs/dbraw/zinc/16/73/62/173167362.db2.gz SSLSTGICNMTMTP-INIZCTEOSA-N 1 3 244.382 2.257 20 0 BEADHO C[N@H+]1CC[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000292206511 173167363 /nfs/dbraw/zinc/16/73/63/173167363.db2.gz SSLSTGICNMTMTP-INIZCTEOSA-N 1 3 244.382 2.257 20 0 BEADHO C[NH2+]C1CCN(C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000234346052 173322916 /nfs/dbraw/zinc/32/29/16/173322916.db2.gz PNKGTKHDIOWYRG-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000234346052 173322917 /nfs/dbraw/zinc/32/29/17/173322917.db2.gz PNKGTKHDIOWYRG-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@H]2CCC[C@H](C)C2)CC1 ZINC000234346229 173323206 /nfs/dbraw/zinc/32/32/06/173323206.db2.gz PNKGTKHDIOWYRG-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC000234346229 173323208 /nfs/dbraw/zinc/32/32/08/173323208.db2.gz PNKGTKHDIOWYRG-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCCC(F)(F)C1 ZINC000300989067 173345630 /nfs/dbraw/zinc/34/56/30/173345630.db2.gz TXHXXKHPIAEEBX-LLVKDONJSA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000300989067 173345632 /nfs/dbraw/zinc/34/56/32/173345632.db2.gz TXHXXKHPIAEEBX-LLVKDONJSA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000300989067 173345633 /nfs/dbraw/zinc/34/56/33/173345633.db2.gz TXHXXKHPIAEEBX-LLVKDONJSA-N 1 3 234.334 2.353 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCCC(F)(F)C1 ZINC000300989068 173346567 /nfs/dbraw/zinc/34/65/67/173346567.db2.gz TXHXXKHPIAEEBX-NSHDSACASA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000300989068 173346569 /nfs/dbraw/zinc/34/65/69/173346569.db2.gz TXHXXKHPIAEEBX-NSHDSACASA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000300989068 173346570 /nfs/dbraw/zinc/34/65/70/173346570.db2.gz TXHXXKHPIAEEBX-NSHDSACASA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086632 173346839 /nfs/dbraw/zinc/34/68/39/173346839.db2.gz REEPJCOEBWXTEO-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086632 173346841 /nfs/dbraw/zinc/34/68/41/173346841.db2.gz REEPJCOEBWXTEO-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000300965183 173370872 /nfs/dbraw/zinc/37/08/72/173370872.db2.gz RLIJABTYJGVGLW-OLZOCXBDSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000300965183 173370874 /nfs/dbraw/zinc/37/08/74/173370874.db2.gz RLIJABTYJGVGLW-OLZOCXBDSA-N 1 3 212.381 2.210 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011888794 173379316 /nfs/dbraw/zinc/37/93/16/173379316.db2.gz DLAVNDLZWDBEPM-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO COCCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365405607 174178888 /nfs/dbraw/zinc/17/88/88/174178888.db2.gz TUSFMYPETDQRGB-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO COCCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365405607 174178889 /nfs/dbraw/zinc/17/88/89/174178889.db2.gz TUSFMYPETDQRGB-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO COCCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365405607 174178891 /nfs/dbraw/zinc/17/88/91/174178891.db2.gz TUSFMYPETDQRGB-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000556933998 322931472 /nfs/dbraw/zinc/93/14/72/322931472.db2.gz BFLAAUHXNHKLPV-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](C[NH3+])CNCc1cccc(Cl)c1 ZINC000308494384 175708474 /nfs/dbraw/zinc/70/84/74/175708474.db2.gz BIIROJXZZWRNGR-VIFPVBQESA-N 1 3 212.724 2.024 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)C1CCC(C)(C)CC1 ZINC000087287467 487631907 /nfs/dbraw/zinc/63/19/07/487631907.db2.gz DILDPKCBDLHIKE-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000069944954 176063774 /nfs/dbraw/zinc/06/37/74/176063774.db2.gz QVQFCDZOIQMHDA-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000069944954 176063776 /nfs/dbraw/zinc/06/37/76/176063776.db2.gz QVQFCDZOIQMHDA-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(N)CC1 ZINC000042864218 176074858 /nfs/dbraw/zinc/07/48/58/176074858.db2.gz MSOIOGBQIGFUAE-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCCC[C@@H]1CN1CCC([NH3+])CC1 ZINC000042864218 176074861 /nfs/dbraw/zinc/07/48/61/176074861.db2.gz MSOIOGBQIGFUAE-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCC[C@H](CC[N@@H+]2CC[C@H](CN)C2)C1 ZINC000070532673 176136444 /nfs/dbraw/zinc/13/64/44/176136444.db2.gz BNYFRJVVAAVKJT-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](CN)C2)C1 ZINC000070532673 176136445 /nfs/dbraw/zinc/13/64/45/176136445.db2.gz BNYFRJVVAAVKJT-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)[C@@H]1C ZINC000038040601 176142931 /nfs/dbraw/zinc/14/29/31/176142931.db2.gz GLILUBLVMICMFH-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000309154114 176150709 /nfs/dbraw/zinc/15/07/09/176150709.db2.gz WZBDZGKDNVMHTC-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000336717143 176218052 /nfs/dbraw/zinc/21/80/52/176218052.db2.gz XUVHLWQQVGGQPA-VOAKCMCISA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336717143 176218053 /nfs/dbraw/zinc/21/80/53/176218053.db2.gz XUVHLWQQVGGQPA-VOAKCMCISA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336717143 176218055 /nfs/dbraw/zinc/21/80/55/176218055.db2.gz XUVHLWQQVGGQPA-VOAKCMCISA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309105913 176232915 /nfs/dbraw/zinc/23/29/15/176232915.db2.gz HWKXDEILZBQEHM-YPMHNXCESA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@H]1C ZINC000251525194 176233094 /nfs/dbraw/zinc/23/30/94/176233094.db2.gz ACNARBXHXSZUKL-SYQHCUMBSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727261 176268581 /nfs/dbraw/zinc/26/85/81/176268581.db2.gz DKHHLQPHBFDWTM-BBBLOLIVSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727261 176268582 /nfs/dbraw/zinc/26/85/82/176268582.db2.gz DKHHLQPHBFDWTM-BBBLOLIVSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416254 176278837 /nfs/dbraw/zinc/27/88/37/176278837.db2.gz KLMNYISMHITNOT-JMSVASOKSA-N 1 3 248.370 2.211 20 0 BEADHO C[C@H](C[NH2+][C@H]1CSC[C@H]1C)CN1CCCC1 ZINC000304500481 176353368 /nfs/dbraw/zinc/35/33/68/176353368.db2.gz NFHKQLWMICYMIO-UPJWGTAASA-N 1 3 242.432 2.059 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]2CCCCN2)C1 ZINC000026515077 176361853 /nfs/dbraw/zinc/36/18/53/176361853.db2.gz DFIGHHKRSRRDCH-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H](C)CN(CC[C@@H]2CCCC[NH2+]2)C1 ZINC000026515077 176361855 /nfs/dbraw/zinc/36/18/55/176361855.db2.gz DFIGHHKRSRRDCH-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844211 176371778 /nfs/dbraw/zinc/37/17/78/176371778.db2.gz RQCUTYOOVKBWLN-HIFRSBDPSA-N 1 3 247.386 2.039 20 0 BEADHO C[C@@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@H+]1C ZINC000172844211 176371779 /nfs/dbraw/zinc/37/17/79/176371779.db2.gz RQCUTYOOVKBWLN-HIFRSBDPSA-N 1 3 247.386 2.039 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000336769807 176397406 /nfs/dbraw/zinc/39/74/06/176397406.db2.gz VWNZRIWJHUFLQP-LPWJVIDDSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000309422743 176845790 /nfs/dbraw/zinc/84/57/90/176845790.db2.gz BFKKOIFVBZPAIX-QWRGUYRKSA-N 1 3 239.388 2.326 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474320 177046275 /nfs/dbraw/zinc/04/62/75/177046275.db2.gz NGDLLRXNSMOKIJ-FAAHXZRKSA-N 1 3 245.370 2.202 20 0 BEADHO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCNCC1 ZINC000042859661 177079906 /nfs/dbraw/zinc/07/99/06/177079906.db2.gz ZPZJICWFVVSSJU-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)CN(C)C ZINC000336668027 177082966 /nfs/dbraw/zinc/08/29/66/177082966.db2.gz DZHODBGSMGUHAD-AGIUHOORSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309769222 177137600 /nfs/dbraw/zinc/13/76/00/177137600.db2.gz KCHPGNKXHCYYBZ-JSGCOSHPSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)[C@@H](C)C1 ZINC000226846284 177356004 /nfs/dbraw/zinc/35/60/04/177356004.db2.gz IGYZBENVAABSJN-RQJABVFESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416369 177370206 /nfs/dbraw/zinc/37/02/06/177370206.db2.gz KLMNYISMHITNOT-XUJVJEKNSA-N 1 3 248.370 2.211 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 ZINC000226013418 487644063 /nfs/dbraw/zinc/64/40/63/487644063.db2.gz FJKAHHHSIBICOW-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@H](N)[C@@H](CC)C1 ZINC000226013418 487644070 /nfs/dbraw/zinc/64/40/70/487644070.db2.gz FJKAHHHSIBICOW-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)cc[nH+]1 ZINC000487078081 225287069 /nfs/dbraw/zinc/28/70/69/225287069.db2.gz XWTKXASOTAYVSJ-CQSZACIVSA-N 1 3 233.359 2.166 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000669680747 487644194 /nfs/dbraw/zinc/64/41/94/487644194.db2.gz HYWARZBBPNYRDY-KGLIPLIRSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000669680747 487644199 /nfs/dbraw/zinc/64/41/99/487644199.db2.gz HYWARZBBPNYRDY-KGLIPLIRSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000669680747 487644205 /nfs/dbraw/zinc/64/42/05/487644205.db2.gz HYWARZBBPNYRDY-KGLIPLIRSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000669680748 487644343 /nfs/dbraw/zinc/64/43/43/487644343.db2.gz HYWARZBBPNYRDY-UONOGXRCSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000669680748 487644347 /nfs/dbraw/zinc/64/43/47/487644347.db2.gz HYWARZBBPNYRDY-UONOGXRCSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000669680748 487644351 /nfs/dbraw/zinc/64/43/51/487644351.db2.gz HYWARZBBPNYRDY-UONOGXRCSA-N 1 3 242.407 2.120 20 0 BEADHO COCC(C)(C)C[NH2+]CCCN1CCCCC1 ZINC000494330356 226263895 /nfs/dbraw/zinc/26/38/95/226263895.db2.gz MEGVKBUEASFJNK-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO C[C@H](N[C@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000400690089 226349522 /nfs/dbraw/zinc/34/95/22/226349522.db2.gz YVEBUJKQOROWDE-MGYRSQIZSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@H]1CCCN1 ZINC000400690089 226349523 /nfs/dbraw/zinc/34/95/23/226349523.db2.gz YVEBUJKQOROWDE-MGYRSQIZSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826477 322933985 /nfs/dbraw/zinc/93/39/85/322933985.db2.gz PUBIMJFDICXKJZ-DGCLKSJQSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)c1 ZINC000309120135 229361550 /nfs/dbraw/zinc/36/15/50/229361550.db2.gz SVHSMZDENDYQCY-TUAOUCFPSA-N 1 3 206.333 2.381 20 0 BEADHO CCC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000233338779 487710998 /nfs/dbraw/zinc/71/09/98/487710998.db2.gz IDVMMLVBKMBHLU-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308900036 487723126 /nfs/dbraw/zinc/72/31/26/487723126.db2.gz JTPJMRIQTPIMTJ-STQMWFEESA-N 1 3 210.365 2.237 20 0 BEADHO CCCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308900036 487723133 /nfs/dbraw/zinc/72/31/33/487723133.db2.gz JTPJMRIQTPIMTJ-STQMWFEESA-N 1 3 210.365 2.237 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccccc1F ZINC000414875189 487733360 /nfs/dbraw/zinc/73/33/60/487733360.db2.gz JLBDGTIVOOZSOP-RYUDHWBXSA-N 1 3 238.350 2.331 20 0 BEADHO CC[C@@](C)(CNCCC[NH+]1CCCCC1)OC ZINC000233958228 487754527 /nfs/dbraw/zinc/75/45/27/487754527.db2.gz XWDJAQDFYGCMTG-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO C[C@H](CC(C)(C)C)N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401727507 487763307 /nfs/dbraw/zinc/76/33/07/487763307.db2.gz RNTAJTMGQNFVGK-QJPTWQEYSA-N 1 3 212.381 2.399 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251629314 487779701 /nfs/dbraw/zinc/77/97/01/487779701.db2.gz FJKAHHHSIBICOW-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251629314 487779706 /nfs/dbraw/zinc/77/97/06/487779706.db2.gz FJKAHHHSIBICOW-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)C(C)(C)C ZINC000251889687 487805660 /nfs/dbraw/zinc/80/56/60/487805660.db2.gz VLHMVHRYGDRJCN-GRYCIOLGSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)C(C)(C)C ZINC000251889687 487805664 /nfs/dbraw/zinc/80/56/64/487805664.db2.gz VLHMVHRYGDRJCN-GRYCIOLGSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1CCC[C@@H](N(C)C[C@H]2CC[NH2+]C2)C1 ZINC000251953166 487809427 /nfs/dbraw/zinc/80/94/27/487809427.db2.gz XABDLEAURPRWHR-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO [NH3+]CCCNC1(c2ccccc2)CCC1 ZINC000414698387 487817443 /nfs/dbraw/zinc/81/74/43/487817443.db2.gz DEQIDGGWPODZRP-UHFFFAOYSA-N 1 3 204.317 2.004 20 0 BEADHO Cc1cc(C)cc([C@H]2CCN(CCC[NH3+])C2)c1 ZINC000414716676 487818778 /nfs/dbraw/zinc/81/87/78/487818778.db2.gz SNFQKYTYAWCTGM-AWEZNQCLSA-N 1 3 232.371 2.442 20 0 BEADHO CCc1ccc(C(C)(C)NCCC[NH3+])cc1 ZINC000414706370 487819087 /nfs/dbraw/zinc/81/90/87/487819087.db2.gz LRMICJKVEBZQAW-UHFFFAOYSA-N 1 3 220.360 2.423 20 0 BEADHO CC[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419010 487824299 /nfs/dbraw/zinc/82/42/99/487824299.db2.gz XSRTUPIIARLOOR-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000252910325 487837622 /nfs/dbraw/zinc/83/76/22/487837622.db2.gz CQAWMUIBBGEBEE-KGYLQXTDSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](CC[N@H+](C)CCCF)N(C)CCCF ZINC000887141238 592457552 /nfs/dbraw/zinc/45/75/52/592457552.db2.gz KPEFKSZOVLJPDL-GFCCVEGCSA-N 1 3 236.350 2.348 20 0 BEADHO C[C@H](CC[N@@H+](C)CCCF)N(C)CCCF ZINC000887141238 592457554 /nfs/dbraw/zinc/45/75/54/592457554.db2.gz KPEFKSZOVLJPDL-GFCCVEGCSA-N 1 3 236.350 2.348 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000651864701 487849189 /nfs/dbraw/zinc/84/91/89/487849189.db2.gz BCUGSUZRCUOKDO-BFHYXJOUSA-N 1 3 242.407 2.120 20 0 BEADHO Cc1ccc(CN(C)C[C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC000666693932 487861803 /nfs/dbraw/zinc/86/18/03/487861803.db2.gz JIUVLWMVVJYQBQ-ZIAGYGMSSA-N 1 3 247.386 2.210 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc2cnccc2c1 ZINC000666741259 487869257 /nfs/dbraw/zinc/86/92/57/487869257.db2.gz HGIOPOMSFYNDHP-HNNXBMFYSA-N 1 3 243.354 2.308 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000666874200 487874560 /nfs/dbraw/zinc/87/45/60/487874560.db2.gz APOAXRRAYBATEA-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO COC[C@]1(CNC[C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000666891903 487875616 /nfs/dbraw/zinc/87/56/16/487875616.db2.gz BVQCIYBSISVTQR-GXTWGEPZSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)C[C@H](C)CNC[C@H]1CCCC[NH2+]1 ZINC000666770544 487876603 /nfs/dbraw/zinc/87/66/03/487876603.db2.gz IKEQDHPSAHMUGU-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO Fc1cccc(CNCC[C@@H]2CC[NH2+]C2)c1F ZINC000666787372 487879863 /nfs/dbraw/zinc/87/98/63/487879863.db2.gz BLSHRNKDXUSVLP-JTQLQIEISA-N 1 3 240.297 2.054 20 0 BEADHO [NH3+]C1(CNC[C@H]2CCOc3ccccc32)CCC1 ZINC000666828772 487888140 /nfs/dbraw/zinc/88/81/40/487888140.db2.gz OLYBQQWAOFRFPP-GFCCVEGCSA-N 1 3 246.354 2.024 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCCNCC1 ZINC000666857877 487892309 /nfs/dbraw/zinc/89/23/09/487892309.db2.gz NORBYRPPWGOECI-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000666930297 487907544 /nfs/dbraw/zinc/90/75/44/487907544.db2.gz XOWHVBIZEXKWFP-QWRGUYRKSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000666931724 487907703 /nfs/dbraw/zinc/90/77/03/487907703.db2.gz PEYDWNZATICNNG-MNOVXSKESA-N 1 3 229.327 2.060 20 0 BEADHO C[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)[C@@H]1CCN ZINC000404296867 487917499 /nfs/dbraw/zinc/91/74/99/487917499.db2.gz OBYNMRCZALQCJE-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)[C@@H]1CCN ZINC000404296867 487917502 /nfs/dbraw/zinc/91/75/02/487917502.db2.gz OBYNMRCZALQCJE-HZSPNIEDSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCNC1(C)C)C(C)(C)C ZINC000666966506 487919518 /nfs/dbraw/zinc/91/95/18/487919518.db2.gz YNERLDFBCZPQFQ-WDEREUQCSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+]CCCNC1CC1 ZINC000666991367 487922168 /nfs/dbraw/zinc/92/21/68/487922168.db2.gz BJKIUVVURPAOAU-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CN[C@H]1CCCC[NH2+]C1)C(C)(C)C ZINC000666993004 487923856 /nfs/dbraw/zinc/92/38/56/487923856.db2.gz UHBUHGDJSUZWQO-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995311 487925385 /nfs/dbraw/zinc/92/53/85/487925385.db2.gz JZCIDWIAWPSZJL-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC1CC([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995178 487925478 /nfs/dbraw/zinc/92/54/78/487925478.db2.gz FKJOYOPOBYBQJQ-CXQJBGSLSA-N 1 3 208.349 2.049 20 0 BEADHO Cc1nc([C@H](C)NCC2CC[NH2+]CC2)cs1 ZINC000567638909 323034334 /nfs/dbraw/zinc/03/43/34/323034334.db2.gz VEDOBXJFZDXZME-VIFPVBQESA-N 1 3 239.388 2.102 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CNC ZINC000562956130 323034979 /nfs/dbraw/zinc/03/49/79/323034979.db2.gz GUHFQKHMQXIKHB-WDEREUQCSA-N 1 3 200.370 2.256 20 0 BEADHO CC[C@H]([NH2+]CCCNC(C)C)[C@@H]1C[C@@H]1C ZINC000562956423 323034808 /nfs/dbraw/zinc/03/48/08/323034808.db2.gz SUMPYHRWEXDVAL-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccsc1 ZINC000570183453 323052061 /nfs/dbraw/zinc/05/20/61/323052061.db2.gz KJLVMLCYTRRWHO-MNOVXSKESA-N 1 3 226.389 2.124 20 0 BEADHO Cc1ccc(OCCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000570463198 323060210 /nfs/dbraw/zinc/06/02/10/323060210.db2.gz UTDJUFIUTGYASH-KGLIPLIRSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000570832117 323072183 /nfs/dbraw/zinc/07/21/83/323072183.db2.gz UDPRERXALFDIIF-HBNTYKKESA-N 1 3 239.388 2.311 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000318889559 323083251 /nfs/dbraw/zinc/08/32/51/323083251.db2.gz NWLONKPJOCGGPC-AEGPPILISA-N 1 3 232.371 2.376 20 0 BEADHO CC(C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000152012050 323099598 /nfs/dbraw/zinc/09/95/98/323099598.db2.gz HKIQNVVIXZCIKL-UHFFFAOYSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000571037876 323104343 /nfs/dbraw/zinc/10/43/43/323104343.db2.gz KTGCXCMSAXKKCJ-FZMZJTMJSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCc2ccccc2C1 ZINC000414942548 323152178 /nfs/dbraw/zinc/15/21/78/323152178.db2.gz ZQPCSQGWLSROGD-UHOFOFEASA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOC(C)(C)C ZINC000308722980 323177340 /nfs/dbraw/zinc/17/73/40/323177340.db2.gz FBDIXWRTDBIDFR-FRRDWIJNSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOC(C)(C)C ZINC000308722980 323177341 /nfs/dbraw/zinc/17/73/41/323177341.db2.gz FBDIXWRTDBIDFR-FRRDWIJNSA-N 1 3 242.407 2.120 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000530217074 323217374 /nfs/dbraw/zinc/21/73/74/323217374.db2.gz FCFVPJNMQIDJIK-RDBSUJKOSA-N 1 3 222.376 2.450 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCC1 ZINC000324908069 323301683 /nfs/dbraw/zinc/30/16/83/323301683.db2.gz ITUBURVQVSBEJV-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCC1CC1 ZINC000156834440 324127632 /nfs/dbraw/zinc/12/76/32/324127632.db2.gz FKEYESGGJDKEDA-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1cccs1 ZINC000517731000 324176654 /nfs/dbraw/zinc/17/66/54/324176654.db2.gz YLTGVHBNWHRBSJ-NEPJUHHUSA-N 1 3 224.373 2.150 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1cccs1 ZINC000517731003 324176704 /nfs/dbraw/zinc/17/67/04/324176704.db2.gz YLTGVHBNWHRBSJ-VXGBXAGGSA-N 1 3 224.373 2.150 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CC(F)(F)C1 ZINC000529544400 324333465 /nfs/dbraw/zinc/33/34/65/324333465.db2.gz NYNSMIBMCXTOPD-JTQLQIEISA-N 1 3 244.329 2.272 20 0 BEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000530223362 324543066 /nfs/dbraw/zinc/54/30/66/324543066.db2.gz UMZACTKWUVGOFL-SQPSOYEMSA-N 1 3 245.370 2.058 20 0 BEADHO COCCCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860425 325317790 /nfs/dbraw/zinc/31/77/90/325317790.db2.gz XOEFTJGPHATTAO-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO COCCCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000075860425 325317792 /nfs/dbraw/zinc/31/77/92/325317792.db2.gz XOEFTJGPHATTAO-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000086403281 325614566 /nfs/dbraw/zinc/61/45/66/325614566.db2.gz WDQFDVNLLKGOGP-QWHCGFSZSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)C[C@H](C)O1 ZINC000556149637 325781655 /nfs/dbraw/zinc/78/16/55/325781655.db2.gz OKEOZZVAUMEHEQ-WDNDVIMCSA-N 1 3 240.391 2.018 20 0 BEADHO [NH3+]CCCN[C@H](CC1CC1)c1ccccc1 ZINC000564791767 325809384 /nfs/dbraw/zinc/80/93/84/325809384.db2.gz CSJKBIIVDKEDKE-CQSZACIVSA-N 1 3 218.344 2.466 20 0 BEADHO COc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000565593363 325931541 /nfs/dbraw/zinc/93/15/41/325931541.db2.gz SRNHCQXACXKSRR-RYUDHWBXSA-N 1 3 236.359 2.219 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000565609797 325935152 /nfs/dbraw/zinc/93/51/52/325935152.db2.gz RMZYZPZDDDHLKW-CVEARBPZSA-N 1 3 244.382 2.261 20 0 BEADHO CN[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226560 326018519 /nfs/dbraw/zinc/01/85/19/326018519.db2.gz ZBEDVDNWUYPQLE-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CN[C@H]1CC[N@@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC000566226560 326018523 /nfs/dbraw/zinc/01/85/23/326018523.db2.gz ZBEDVDNWUYPQLE-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCC1CC1 ZINC000156834704 326244015 /nfs/dbraw/zinc/24/40/15/326244015.db2.gz FKEYESGGJDKEDA-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+]CCOCCN(C)C ZINC000572808753 326412003 /nfs/dbraw/zinc/41/20/03/326412003.db2.gz BRXJOGRIECNRNU-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCc2ccc(F)cc21 ZINC000423226580 488062395 /nfs/dbraw/zinc/06/23/95/488062395.db2.gz RGFQWTRCKFATTM-ZANVPECISA-N 1 3 222.307 2.140 20 0 BEADHO CC[C@H](C)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225882063 488081937 /nfs/dbraw/zinc/08/19/37/488081937.db2.gz SUSIWNCPSNUWKN-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CN1CCCC1 ZINC000378957346 488112884 /nfs/dbraw/zinc/11/28/84/488112884.db2.gz NFIWDWRFZSIXOJ-APIJFGDWSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CN1CCCC1 ZINC000378957371 488114044 /nfs/dbraw/zinc/11/40/44/488114044.db2.gz NFIWDWRFZSIXOJ-XGUBFFRZSA-N 1 3 236.403 2.497 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151104215 488117473 /nfs/dbraw/zinc/11/74/73/488117473.db2.gz YAWJHERVWZOXEW-LBPRGKRZSA-N 1 3 236.403 2.497 20 0 BEADHO NCCC[NH2+]CCc1csc2ccccc12 ZINC000258721181 488129083 /nfs/dbraw/zinc/12/90/83/488129083.db2.gz IXNDWBXYJZDWFG-UHFFFAOYSA-N 1 3 234.368 2.382 20 0 BEADHO [NH3+]CCCNCCc1csc2ccccc12 ZINC000258721181 488129088 /nfs/dbraw/zinc/12/90/88/488129088.db2.gz IXNDWBXYJZDWFG-UHFFFAOYSA-N 1 3 234.368 2.382 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227137699 487554350 /nfs/dbraw/zinc/55/43/50/487554350.db2.gz YAYUQTHOLNSXAG-OFQRWUPVSA-N 1 3 244.382 2.433 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000304648728 487513663 /nfs/dbraw/zinc/51/36/63/487513663.db2.gz YAYJLFNFVBABBH-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO COc1cccc(CN[C@@H](C)CCC[NH3+])c1F ZINC000666942057 487908804 /nfs/dbraw/zinc/90/88/04/487908804.db2.gz GSLKHALLXHRPLS-JTQLQIEISA-N 1 3 240.322 2.051 20 0 BEADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000093209568 488139570 /nfs/dbraw/zinc/13/95/70/488139570.db2.gz XSJJDFKHZZBQKC-UONOGXRCSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093209568 488139575 /nfs/dbraw/zinc/13/95/75/488139575.db2.gz XSJJDFKHZZBQKC-UONOGXRCSA-N 1 3 248.370 2.097 20 0 BEADHO CN(CCC1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC000258863512 488140316 /nfs/dbraw/zinc/14/03/16/488140316.db2.gz IWZOXAOETUQUPX-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000322529327 488189555 /nfs/dbraw/zinc/18/95/55/488189555.db2.gz PCGXLKQPLHRQSK-GSPSYOTPSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000322529327 488189559 /nfs/dbraw/zinc/18/95/59/488189559.db2.gz PCGXLKQPLHRQSK-GSPSYOTPSA-N 1 3 240.391 2.016 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CCC1CCC1)C2 ZINC000398679908 488222276 /nfs/dbraw/zinc/22/22/76/488222276.db2.gz XGOQXIQMYDVKIF-KBPBESRZSA-N 1 3 222.376 2.237 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC1CCC1)C2 ZINC000398679908 488222278 /nfs/dbraw/zinc/22/22/78/488222278.db2.gz XGOQXIQMYDVKIF-KBPBESRZSA-N 1 3 222.376 2.237 20 0 BEADHO CC[C@@H]1C[N@H+](CCC2CCC2)CC[C@H]1N ZINC000398751677 488223360 /nfs/dbraw/zinc/22/33/60/488223360.db2.gz BYSHWFOIHCZORA-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1N ZINC000398751677 488223364 /nfs/dbraw/zinc/22/33/64/488223364.db2.gz BYSHWFOIHCZORA-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CN(CCC2CCC2)CC[C@H]1[NH3+] ZINC000398751677 488223368 /nfs/dbraw/zinc/22/33/68/488223368.db2.gz BYSHWFOIHCZORA-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CC1 ZINC000083055796 490318696 /nfs/dbraw/zinc/31/86/96/490318696.db2.gz KUBAUVWQDBVZGI-OCCSQVGLSA-N 1 3 224.392 2.495 20 0 BEADHO Cc1ncccc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404292487 491093581 /nfs/dbraw/zinc/09/35/81/491093581.db2.gz LVJHNICPMZWTLE-DOMZBBRYSA-N 1 3 247.386 2.339 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000259086649 491102039 /nfs/dbraw/zinc/10/20/39/491102039.db2.gz RNHWPKGUEOARJT-MNOVXSKESA-N 1 3 238.400 2.495 20 0 BEADHO CC1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000168698652 491106652 /nfs/dbraw/zinc/10/66/52/491106652.db2.gz MWAJVHMXEGSCOA-CPCZMJQVSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]1C[C@H](N[C@@H](C)c2ncc[nH]2)CCO1 ZINC000139023047 491130220 /nfs/dbraw/zinc/13/02/20/491130220.db2.gz IASHZOBSDZCWKQ-QJPTWQEYSA-N 1 3 237.347 2.264 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227077834 491138050 /nfs/dbraw/zinc/13/80/50/491138050.db2.gz RONDBQFZNZFUGK-KCQAQPDRSA-N 1 3 230.355 2.043 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000309323168 491146883 /nfs/dbraw/zinc/14/68/83/491146883.db2.gz FQTSLOLDAYQWLA-KBPBESRZSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@@H](COC)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000079713138 535761022 /nfs/dbraw/zinc/76/10/22/535761022.db2.gz YLBGBELYZLKZCT-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@H](COC)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000079713138 535761029 /nfs/dbraw/zinc/76/10/29/535761029.db2.gz YLBGBELYZLKZCT-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000164422099 535003450 /nfs/dbraw/zinc/00/34/50/535003450.db2.gz PTECQPJVAUOSNZ-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000172644675 535127557 /nfs/dbraw/zinc/12/75/57/535127557.db2.gz YTCJOWMAXCTESQ-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC(C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000172644675 535127559 /nfs/dbraw/zinc/12/75/59/535127559.db2.gz YTCJOWMAXCTESQ-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC(C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172644675 535127562 /nfs/dbraw/zinc/12/75/62/535127562.db2.gz YTCJOWMAXCTESQ-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000087647689 535308535 /nfs/dbraw/zinc/30/85/35/535308535.db2.gz HEEYBSKTDRCCHH-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCSC1 ZINC000179568539 535503033 /nfs/dbraw/zinc/50/30/33/535503033.db2.gz ORTWGCXFUJAFHO-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCSC1 ZINC000179568539 535503037 /nfs/dbraw/zinc/50/30/37/535503037.db2.gz ORTWGCXFUJAFHO-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCOC ZINC000348309349 535594060 /nfs/dbraw/zinc/59/40/60/535594060.db2.gz FXHVBTOTABMMEX-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCOC ZINC000348309349 535594065 /nfs/dbraw/zinc/59/40/65/535594065.db2.gz FXHVBTOTABMMEX-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCN1C[C@H](C)N(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000357701759 535780898 /nfs/dbraw/zinc/78/08/98/535780898.db2.gz XNDFOTDPSARFNU-OLZOCXBDSA-N 1 3 233.359 2.309 20 0 BEADHO CCc1ccccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261541252 535935868 /nfs/dbraw/zinc/93/58/68/535935868.db2.gz BAJWBVHNHGCULZ-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccccc1C[N@@H+]1CC[C@](C)(CN)C1 ZINC000261541252 535935872 /nfs/dbraw/zinc/93/58/72/535935872.db2.gz BAJWBVHNHGCULZ-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccccc1C[N@H+]1CC[C@](C)(CN)C1 ZINC000261541252 535935877 /nfs/dbraw/zinc/93/58/77/535935877.db2.gz BAJWBVHNHGCULZ-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccccc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000217464409 535936559 /nfs/dbraw/zinc/93/65/59/535936559.db2.gz BKOLLYXTMPGIGK-WFASDCNBSA-N 1 3 232.371 2.418 20 0 BEADHO CC[C@H](COC)NC1CC[NH+](C(C)(C)C)CC1 ZINC000079713033 536121427 /nfs/dbraw/zinc/12/14/27/536121427.db2.gz QDROPGKAPAJRIU-GFCCVEGCSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@H](COC)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227541086 536122100 /nfs/dbraw/zinc/12/21/00/536122100.db2.gz IWTSGAQXHPDFOA-HONMWMINSA-N 1 3 234.343 2.146 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000854230551 588781145 /nfs/dbraw/zinc/78/11/45/588781145.db2.gz UGLFKWGYGXNSMS-YNEHKIRRSA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000854230550 588780825 /nfs/dbraw/zinc/78/08/25/588780825.db2.gz UGLFKWGYGXNSMS-XQQFMLRXSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CCN(C)CC2)[C@H]1C ZINC000891860928 582730870 /nfs/dbraw/zinc/73/08/70/582730870.db2.gz DUIDBGMWSPUHQF-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CCN(C)CC2)[C@H]1C ZINC000891860928 582730873 /nfs/dbraw/zinc/73/08/73/582730873.db2.gz DUIDBGMWSPUHQF-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CCCSC[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000892612545 582929246 /nfs/dbraw/zinc/92/92/46/582929246.db2.gz ARTMWRMCVYPGGB-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO Cc1occc1CN[C@H](C)C1CC[NH+](C)CC1 ZINC000396455734 583082641 /nfs/dbraw/zinc/08/26/41/583082641.db2.gz MMSKSPLAQDKHHN-LLVKDONJSA-N 1 3 236.359 2.408 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253852 583136624 /nfs/dbraw/zinc/13/66/24/583136624.db2.gz TYHFFQVUQRVXFD-YIZRAAEISA-N 1 3 239.190 2.286 20 0 BEADHO C[C@@H](c1cccnc1)N(C)CC1CC[NH+](C)CC1 ZINC000738312923 583379476 /nfs/dbraw/zinc/37/94/76/583379476.db2.gz ZMFVFCHDKNEIEP-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO C[C@@H](c1cccnc1)[N@H+](C)CC1CCN(C)CC1 ZINC000738312923 583379479 /nfs/dbraw/zinc/37/94/79/583379479.db2.gz ZMFVFCHDKNEIEP-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO C[C@@H](c1cccnc1)[N@@H+](C)CC1CCN(C)CC1 ZINC000738312923 583379482 /nfs/dbraw/zinc/37/94/82/583379482.db2.gz ZMFVFCHDKNEIEP-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO CN1CCC(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)CC1 ZINC000894543562 583481469 /nfs/dbraw/zinc/48/14/69/583481469.db2.gz AHLXZFMSSWDVGP-CQSZACIVSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CCC(C[N@H+]2CC(C)(C)[C@H]2C2CC2)CC1 ZINC000894543562 583481472 /nfs/dbraw/zinc/48/14/72/583481472.db2.gz AHLXZFMSSWDVGP-CQSZACIVSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](CSCCF)[NH2+]CC[C@@H](C)N(C)C ZINC000895291533 583637270 /nfs/dbraw/zinc/63/72/70/583637270.db2.gz FWZOGPGAWVNBRQ-GHMZBOCLSA-N 1 3 236.400 2.007 20 0 BEADHO C[C@H](CSCCF)NCC[C@@H](C)[NH+](C)C ZINC000895291533 583637272 /nfs/dbraw/zinc/63/72/72/583637272.db2.gz FWZOGPGAWVNBRQ-GHMZBOCLSA-N 1 3 236.400 2.007 20 0 BEADHO C[C@H](CC[NH2+]C1CC2(CCC2)C1)N(C)C ZINC000895292574 583638791 /nfs/dbraw/zinc/63/87/91/583638791.db2.gz QECWLIXTGPKPHA-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](CC1CCOCC1)[NH2+]CC[C@H](C)N(C)C ZINC000895292941 583638788 /nfs/dbraw/zinc/63/87/88/583638788.db2.gz DZDCXYDTVQNHRT-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H]1C[C@H](C[NH2+]CC[C@@H](C)N(C)C)CCO1 ZINC000895296941 583641375 /nfs/dbraw/zinc/64/13/75/583641375.db2.gz RDXPYHAUHHXTMB-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO COC1CCC(C[NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000895429783 583668970 /nfs/dbraw/zinc/66/89/70/583668970.db2.gz VAALKMJAZWINNZ-IYXRBSQSSA-N 1 3 242.407 2.121 20 0 BEADHO CN1CCC(C[NH+]2CC(c3ccccc3)C2)CC1 ZINC000895693615 583708563 /nfs/dbraw/zinc/70/85/63/583708563.db2.gz ITYOYPCPJGGGMP-UHFFFAOYSA-N 1 3 244.382 2.428 20 0 BEADHO C[NH+]1CCC(CN2CC(c3ccccc3)C2)CC1 ZINC000895693615 583708564 /nfs/dbraw/zinc/70/85/64/583708564.db2.gz ITYOYPCPJGGGMP-UHFFFAOYSA-N 1 3 244.382 2.428 20 0 BEADHO CNc1ccccc1C[NH2+]CC(C)(C)CN(C)C ZINC000902026806 584513194 /nfs/dbraw/zinc/51/31/94/584513194.db2.gz QAXHDMNIZCHRDO-UHFFFAOYSA-N 1 3 249.402 2.406 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CC2CCC2)C1 ZINC000902321099 584552333 /nfs/dbraw/zinc/55/23/33/584552333.db2.gz ULUTUBUSDKNELB-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO CCOCCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902315406 584555501 /nfs/dbraw/zinc/55/55/01/584555501.db2.gz KZGQIJOJELLHDK-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902331971 584562992 /nfs/dbraw/zinc/56/29/92/584562992.db2.gz XQUHYPTULVPWTL-GFCCVEGCSA-N 1 3 244.448 2.497 20 0 BEADHO COCCCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902333203 584563837 /nfs/dbraw/zinc/56/38/37/584563837.db2.gz HZGGSQIIWUPHPU-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCC=CO2)C1 ZINC000902376017 584567809 /nfs/dbraw/zinc/56/78/09/584567809.db2.gz GNCWGDSTFGSEAY-OLZOCXBDSA-N 1 3 238.375 2.047 20 0 BEADHO CS[C@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902360243 584571560 /nfs/dbraw/zinc/57/15/60/584571560.db2.gz HHHRRCKDFVMDAD-GHMZBOCLSA-N 1 3 230.421 2.106 20 0 BEADHO CS[C@H](C)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360243 584571561 /nfs/dbraw/zinc/57/15/61/584571561.db2.gz HHHRRCKDFVMDAD-GHMZBOCLSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902381989 584576926 /nfs/dbraw/zinc/57/69/26/584576926.db2.gz AMTDXZFJQZDFCU-IJLUTSLNSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1CSC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381989 584576929 /nfs/dbraw/zinc/57/69/29/584576929.db2.gz AMTDXZFJQZDFCU-IJLUTSLNSA-N 1 3 242.432 2.106 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000902388711 584579708 /nfs/dbraw/zinc/57/97/08/584579708.db2.gz QOFBXUSZRSJUQG-MJBXVCDLSA-N 1 3 236.403 2.400 20 0 BEADHO CC(F)(F)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389759 584581421 /nfs/dbraw/zinc/58/14/21/584581421.db2.gz XNDNXAJRJAYVDN-SNVBAGLBSA-N 1 3 234.334 2.400 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CS1 ZINC000902391309 584581995 /nfs/dbraw/zinc/58/19/95/584581995.db2.gz VBJCSHVWDRJPSI-WOPDTQHZSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)CS1 ZINC000902391309 584581997 /nfs/dbraw/zinc/58/19/97/584581997.db2.gz VBJCSHVWDRJPSI-WOPDTQHZSA-N 1 3 242.432 2.248 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2C=CCC2)C1 ZINC000902391568 584582099 /nfs/dbraw/zinc/58/20/99/584582099.db2.gz GYCQKXXUBCLVQA-RYUDHWBXSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902392796 584583843 /nfs/dbraw/zinc/58/38/43/584583843.db2.gz MSSGKAFYFBDVFG-TUAOUCFPSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392796 584583844 /nfs/dbraw/zinc/58/38/44/584583844.db2.gz MSSGKAFYFBDVFG-TUAOUCFPSA-N 1 3 242.432 2.248 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2C=CCC2)C1 ZINC000902404608 584589273 /nfs/dbraw/zinc/58/92/73/584589273.db2.gz XJIOEFFVEWRTKA-CHWSQXEVSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC000902428681 584594654 /nfs/dbraw/zinc/59/46/54/584594654.db2.gz GCLDVCMIOBXGLE-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428682 584594945 /nfs/dbraw/zinc/59/49/45/584594945.db2.gz GCLDVCMIOBXGLE-XQQFMLRXSA-N 1 3 242.407 2.297 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000902442475 584597822 /nfs/dbraw/zinc/59/78/22/584597822.db2.gz IMJQERPTWFNVJZ-ILDUYXDCSA-N 1 3 246.345 2.398 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@H]1CNCC1(C)C ZINC000902444238 584598601 /nfs/dbraw/zinc/59/86/01/584598601.db2.gz MWOZPMFXSNJPBF-MNOVXSKESA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902445370 584599125 /nfs/dbraw/zinc/59/91/25/584599125.db2.gz LUPBFPQUTUNIRX-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902473152 584601104 /nfs/dbraw/zinc/60/11/04/584601104.db2.gz SKFVLCCXPYXZMK-DMRZNYOFSA-N 1 3 244.382 2.490 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472478 584601188 /nfs/dbraw/zinc/60/11/88/584601188.db2.gz AORHWIFDRGYLID-XUWVNRHRSA-N 1 3 244.382 2.490 20 0 BEADHO C[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]1C ZINC000902474662 584602169 /nfs/dbraw/zinc/60/21/69/584602169.db2.gz HIBYDIQCAAKJHP-CLHCLYRXSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]1C ZINC000902474663 584602341 /nfs/dbraw/zinc/60/23/41/584602341.db2.gz HIBYDIQCAAKJHP-IZMFDJJNSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478886 584603278 /nfs/dbraw/zinc/60/32/78/584603278.db2.gz YOVOAPNUAKDCFW-XGFWRYKXSA-N 1 3 222.376 2.438 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@@H]1C[C@H]1C ZINC000902446946 584603900 /nfs/dbraw/zinc/60/39/00/584603900.db2.gz WJVNPJHHXNWRQE-WISYIIOYSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@H]1C[C@@H]1C ZINC000902446943 584604270 /nfs/dbraw/zinc/60/42/70/584604270.db2.gz WJVNPJHHXNWRQE-FIQHERPVSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CNCC1(C)C ZINC000902448170 584604692 /nfs/dbraw/zinc/60/46/92/584604692.db2.gz DGUBIMPOVBTSPN-BDAKNGLRSA-N 1 3 238.297 2.305 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902448907 584605331 /nfs/dbraw/zinc/60/53/31/584605331.db2.gz JFRDRJIZSHMLHY-WDEREUQCSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902448690 584605412 /nfs/dbraw/zinc/60/54/12/584605412.db2.gz HAOQPMKTGGHQID-RWMBFGLXSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902448905 584605534 /nfs/dbraw/zinc/60/55/34/584605534.db2.gz JFRDRJIZSHMLHY-MNOVXSKESA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)C1CCCC1 ZINC000902448732 584605554 /nfs/dbraw/zinc/60/55/54/584605554.db2.gz HZDBHCVCLKYFGL-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)S2 ZINC000902448367 584605608 /nfs/dbraw/zinc/60/56/08/584605608.db2.gz ZTPDAMRZIANBNI-ZZIFITQXSA-N 1 3 240.416 2.143 20 0 BEADHO C1CC2(C1)NCC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@@H]21 ZINC000902453079 584607751 /nfs/dbraw/zinc/60/77/51/584607751.db2.gz CCZDWXCZWPQYNP-MROQNXINSA-N 1 3 220.360 2.049 20 0 BEADHO C[C@H]([NH2+]CCC1CCC(F)(F)CC1)C1CNC1 ZINC000902458461 584610897 /nfs/dbraw/zinc/61/08/97/584610897.db2.gz XQBVARSVXZFWOD-JTQLQIEISA-N 1 3 246.345 2.400 20 0 BEADHO C1CC1[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCC1 ZINC000902459603 584611002 /nfs/dbraw/zinc/61/10/02/584611002.db2.gz CXGWZVDBZQNZDB-DGAVXFQQSA-N 1 3 220.360 2.048 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468203 584614533 /nfs/dbraw/zinc/61/45/33/584614533.db2.gz MVJZKIJXKGQQQX-KIJLLGNVSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902467584 584614989 /nfs/dbraw/zinc/61/49/89/584614989.db2.gz OYORRMAFKJNXQV-XGFWRYKXSA-N 1 3 220.360 2.048 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000902504254 584621365 /nfs/dbraw/zinc/62/13/65/584621365.db2.gz NCQCPAVRQXKULI-UPJWGTAASA-N 1 3 220.360 2.215 20 0 BEADHO Cc1ncccc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000902511759 584623438 /nfs/dbraw/zinc/62/34/38/584623438.db2.gz FJUIARWQAJYKLH-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCCCN1 ZINC000902481814 584624003 /nfs/dbraw/zinc/62/40/03/584624003.db2.gz HHSTVEZBOGITNZ-UONOGXRCSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[C@H](COC)[NH2+]C[C@@H]1CCCCCN1 ZINC000902481864 584624076 /nfs/dbraw/zinc/62/40/76/584624076.db2.gz HLNTXJFTJCJTCG-UONOGXRCSA-N 1 3 242.407 2.313 20 0 BEADHO Cc1cc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)oc1C ZINC000902484129 584624674 /nfs/dbraw/zinc/62/46/74/584624674.db2.gz DKBUFMLMRYDNLZ-DLOVCJGASA-N 1 3 222.332 2.284 20 0 BEADHO C[C@@H]1CCC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902485315 584624952 /nfs/dbraw/zinc/62/49/52/584624952.db2.gz ZPMAELGMXOIGLJ-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO COc1ccccc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902488805 584627470 /nfs/dbraw/zinc/62/74/70/584627470.db2.gz NZGULVJEMBYVHG-IJLUTSLNSA-N 1 3 234.343 2.083 20 0 BEADHO C[C@H]1C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903079325 584724369 /nfs/dbraw/zinc/72/43/69/584724369.db2.gz LXSOTDNWKYVAEN-QGZQTAFBSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@H]1C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079325 584724370 /nfs/dbraw/zinc/72/43/70/584724370.db2.gz LXSOTDNWKYVAEN-QGZQTAFBSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903079325 584724371 /nfs/dbraw/zinc/72/43/71/584724371.db2.gz LXSOTDNWKYVAEN-QGZQTAFBSA-N 1 3 234.387 2.390 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCCC[N@H+](C)CC(C)C ZINC000903195064 584734506 /nfs/dbraw/zinc/73/45/06/584734506.db2.gz URXUWRZKWLZSLO-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCCC[N@@H+](C)CC(C)C ZINC000903195064 584734507 /nfs/dbraw/zinc/73/45/07/584734507.db2.gz URXUWRZKWLZSLO-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H]1CCC[C@H]1[NH2+]CCCN(C)CC(C)C ZINC000903195064 584734508 /nfs/dbraw/zinc/73/45/08/584734508.db2.gz URXUWRZKWLZSLO-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO [NH3+]C[C@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903421306 584763906 /nfs/dbraw/zinc/76/39/06/584763906.db2.gz LCKBGZWSUJXKSI-CYBMUJFWSA-N 1 3 243.354 2.339 20 0 BEADHO [NH3+][C@@H]1CC[C@H](CN(Cc2ccccn2)C2CC2)C1 ZINC000903454588 584773110 /nfs/dbraw/zinc/77/31/10/584773110.db2.gz DHKOCSTVJVUSOW-QWHCGFSZSA-N 1 3 245.370 2.173 20 0 BEADHO C(C[C@@H]1C[C@H]1C1CC1)[NH2+][C@H]1CCNC12CCC2 ZINC000903472002 584775966 /nfs/dbraw/zinc/77/59/66/584775966.db2.gz OWAMAYUIWDXWPB-RDBSUJKOSA-N 1 3 234.387 2.297 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903473014 584776044 /nfs/dbraw/zinc/77/60/44/584776044.db2.gz YUHFQUMFNKVJTL-MQYQWHSLSA-N 1 3 234.387 2.297 20 0 BEADHO C1=CCC(CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903481569 584777979 /nfs/dbraw/zinc/77/79/79/584777979.db2.gz GNNDMQVZEIVYNA-CYBMUJFWSA-N 1 3 220.360 2.217 20 0 BEADHO C1=CCC(C[NH2+][C@@H]2CCNC23CCCC3)C1 ZINC000903481569 584777980 /nfs/dbraw/zinc/77/79/80/584777980.db2.gz GNNDMQVZEIVYNA-CYBMUJFWSA-N 1 3 220.360 2.217 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCCC2)C1CCC1 ZINC000903483034 584778638 /nfs/dbraw/zinc/77/86/38/584778638.db2.gz BLVYFQMTQHHSLC-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903466494 584779961 /nfs/dbraw/zinc/77/99/61/584779961.db2.gz UNHWNAQASWHYPP-LBPRGKRZSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903716267 584794387 /nfs/dbraw/zinc/79/43/87/584794387.db2.gz LESVNSHWTXHJCB-PYNQCMFNSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716267 584794389 /nfs/dbraw/zinc/79/43/89/584794389.db2.gz LESVNSHWTXHJCB-PYNQCMFNSA-N 1 3 210.365 2.092 20 0 BEADHO CC1CC(C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC000903749394 584795143 /nfs/dbraw/zinc/79/51/43/584795143.db2.gz KKSXQKRTFKOEPS-BPCQOVAHSA-N 1 3 210.365 2.236 20 0 BEADHO CC1CC(C[N@H+]2CCCC[C@H]2CCN)C1 ZINC000903749394 584795144 /nfs/dbraw/zinc/79/51/44/584795144.db2.gz KKSXQKRTFKOEPS-BPCQOVAHSA-N 1 3 210.365 2.236 20 0 BEADHO FC1(F)C[C@]12CCN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903768792 584797772 /nfs/dbraw/zinc/79/77/72/584797772.db2.gz QVVYUOSUXMZFHI-RYUDHWBXSA-N 1 3 244.329 2.107 20 0 BEADHO CCOCC[N@@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903812886 584803436 /nfs/dbraw/zinc/80/34/36/584803436.db2.gz ACGZUEKYPTXBDW-ZDUSSCGKSA-N 1 3 240.391 2.006 20 0 BEADHO CCOCC[N@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903812886 584803438 /nfs/dbraw/zinc/80/34/38/584803438.db2.gz ACGZUEKYPTXBDW-ZDUSSCGKSA-N 1 3 240.391 2.006 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CNCC1(C)C ZINC000903821465 584803972 /nfs/dbraw/zinc/80/39/72/584803972.db2.gz LEWSVDFVCSCARB-RYUDHWBXSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@]12C[N@H+](C[C@H]3CCCNC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826531 584804975 /nfs/dbraw/zinc/80/49/75/584804975.db2.gz LICRVMQQHILQMK-ARKGTOAJSA-N 1 3 246.398 2.130 20 0 BEADHO C[C@]12C[N@@H+](C[C@H]3CCCNC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826531 584804976 /nfs/dbraw/zinc/80/49/76/584804976.db2.gz LICRVMQQHILQMK-ARKGTOAJSA-N 1 3 246.398 2.130 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H]1CCCCNC1 ZINC000903850538 584807989 /nfs/dbraw/zinc/80/79/89/584807989.db2.gz UEVYFJRVDAXMRM-MGPQQGTHSA-N 1 3 222.376 2.320 20 0 BEADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CCCC1CCC1 ZINC000903860323 584811694 /nfs/dbraw/zinc/81/16/94/584811694.db2.gz QTPIKXDUYMRZEM-KGLIPLIRSA-N 1 3 222.376 2.380 20 0 BEADHO NC[C@]12CC[C@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863363 584813011 /nfs/dbraw/zinc/81/30/11/584813011.db2.gz KVUKDCMRQONQJI-LSDHHAIUSA-N 1 3 248.345 2.469 20 0 BEADHO NC[C@]12CC[C@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863363 584813012 /nfs/dbraw/zinc/81/30/12/584813012.db2.gz KVUKDCMRQONQJI-LSDHHAIUSA-N 1 3 248.345 2.469 20 0 BEADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@@H]2CCCC[C@H]21 ZINC000903903514 584821249 /nfs/dbraw/zinc/82/12/49/584821249.db2.gz UXFQUUBPMLZLGQ-WISYIIOYSA-N 1 3 246.345 2.479 20 0 BEADHO CC(C)([NH3+])CCNC[C@@H]1CCOc2ccccc21 ZINC000903939144 584823136 /nfs/dbraw/zinc/82/31/36/584823136.db2.gz RJUDHLFYBFOCKK-LBPRGKRZSA-N 1 3 248.370 2.270 20 0 BEADHO CC(C)([NH3+])CCNCc1cncc2ccccc21 ZINC000903938840 584827026 /nfs/dbraw/zinc/82/70/26/584827026.db2.gz MQNIEDHKKIFJCG-UHFFFAOYSA-N 1 3 243.354 2.452 20 0 BEADHO COc1ccccc1/C=C\CNCCC(C)(C)[NH3+] ZINC000903938842 584827333 /nfs/dbraw/zinc/82/73/33/584827333.db2.gz MSEMOLYCNFRXFJ-VURMDHGXSA-N 1 3 248.370 2.425 20 0 BEADHO CC(C)([NH3+])CCNCc1cccc2c1CCC2 ZINC000903939814 584829132 /nfs/dbraw/zinc/82/91/32/584829132.db2.gz NKEXBQIRKXDALC-UHFFFAOYSA-N 1 3 232.371 2.392 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963605 584833381 /nfs/dbraw/zinc/83/33/81/584833381.db2.gz BZPHTLXVGIGPLH-FDYHWXHSSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1CCCCCCC1 ZINC000903964695 584834159 /nfs/dbraw/zinc/83/41/59/584834159.db2.gz TUHHJDUKMNMTKT-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000903965045 584834504 /nfs/dbraw/zinc/83/45/04/584834504.db2.gz YUZQWJHRJDZLIN-FDYHWXHSSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](CNC[C@@H]1C[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000903968326 584834871 /nfs/dbraw/zinc/83/48/71/584834871.db2.gz SSBCUVQVTHMBTI-SQWLQELKSA-N 1 3 246.398 2.310 20 0 BEADHO CC[C@](C)(CCO)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904329464 584866112 /nfs/dbraw/zinc/86/61/12/584866112.db2.gz NWHXJVAEHRXGJV-TZMCWYRMSA-N 1 3 244.423 2.281 20 0 BEADHO C[N@H+](CCCCCO)C[C@@H](N)CCC(C)(C)C ZINC000904340615 584866903 /nfs/dbraw/zinc/86/69/03/584866903.db2.gz AGHICJLQQDXYMF-ZDUSSCGKSA-N 1 3 244.423 2.234 20 0 BEADHO C[N@@H+](CCCCCO)C[C@@H](N)CCC(C)(C)C ZINC000904340615 584866904 /nfs/dbraw/zinc/86/69/04/584866904.db2.gz AGHICJLQQDXYMF-ZDUSSCGKSA-N 1 3 244.423 2.234 20 0 BEADHO C[C@@]1(C[N@@H+]2CC[C@H](C3CCC3)C2)CCCNC1 ZINC000904372695 584873661 /nfs/dbraw/zinc/87/36/61/584873661.db2.gz GRIGVQYNELRCEF-LSDHHAIUSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CCCNC1 ZINC000904372695 584873662 /nfs/dbraw/zinc/87/36/62/584873662.db2.gz GRIGVQYNELRCEF-LSDHHAIUSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(C[N@@H+]2CC[C@H](C3CCC3)C2)CCCNC1 ZINC000904372693 584873925 /nfs/dbraw/zinc/87/39/25/584873925.db2.gz GRIGVQYNELRCEF-GJZGRUSLSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(C[N@H+]2CC[C@H](C3CCC3)C2)CCCNC1 ZINC000904372693 584873926 /nfs/dbraw/zinc/87/39/26/584873926.db2.gz GRIGVQYNELRCEF-GJZGRUSLSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(CN2CC[C@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376393 584875886 /nfs/dbraw/zinc/87/58/86/584875886.db2.gz QZXLEBZYUFDQND-RYUDHWBXSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@]1(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CCCNC1 ZINC000904376393 584875887 /nfs/dbraw/zinc/87/58/87/584875887.db2.gz QZXLEBZYUFDQND-RYUDHWBXSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@]1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CCCNC1 ZINC000904376393 584875888 /nfs/dbraw/zinc/87/58/88/584875888.db2.gz QZXLEBZYUFDQND-RYUDHWBXSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@]1(CN2CC[C@@]3(CC3(F)F)C2)CCC[NH2+]C1 ZINC000904376392 584876340 /nfs/dbraw/zinc/87/63/40/584876340.db2.gz QZXLEBZYUFDQND-NWDGAFQWSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@]1(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CCCNC1 ZINC000904376392 584876341 /nfs/dbraw/zinc/87/63/41/584876341.db2.gz QZXLEBZYUFDQND-NWDGAFQWSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@]1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CCCNC1 ZINC000904376392 584876343 /nfs/dbraw/zinc/87/63/43/584876343.db2.gz QZXLEBZYUFDQND-NWDGAFQWSA-N 1 3 244.329 2.107 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN[C@H]2c3ccccc3CC[C@H]2F)C1 ZINC000904386172 584877725 /nfs/dbraw/zinc/87/77/25/584877725.db2.gz RHVIEBZAIHRMPF-BQPHKTIFSA-N 1 3 248.345 2.339 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000817977572 584994092 /nfs/dbraw/zinc/99/40/92/584994092.db2.gz KTRWHKKLJSNFTQ-WOPDTQHZSA-N 1 3 236.359 2.472 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768691190 585541825 /nfs/dbraw/zinc/54/18/25/585541825.db2.gz ZWOLGCWKCSVUNX-UNXYVOJBSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@@H](CCO)NCCC[N@H+](C)C1CCCCC1 ZINC000779343868 585752128 /nfs/dbraw/zinc/75/21/28/585752128.db2.gz UOQCTLMNCILRJZ-ZDUSSCGKSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@@H](CCO)NCCC[N@@H+](C)C1CCCCC1 ZINC000779343868 585752129 /nfs/dbraw/zinc/75/21/29/585752129.db2.gz UOQCTLMNCILRJZ-ZDUSSCGKSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)C(C)(C)C ZINC000817893965 586834229 /nfs/dbraw/zinc/83/42/29/586834229.db2.gz JTOJKAKXRNSHFW-MROQNXINSA-N 1 3 242.407 2.011 20 0 BEADHO CS[C@@H]1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000817897224 586834798 /nfs/dbraw/zinc/83/47/98/586834798.db2.gz HGUTYKXJBXOMLM-UMSGYPCISA-N 1 3 242.432 2.391 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNc1ccccc1 ZINC000817899541 586835800 /nfs/dbraw/zinc/83/58/00/586835800.db2.gz GQFQAMYZRFGJSP-DZGCQCFKSA-N 1 3 247.386 2.206 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817899541 586835801 /nfs/dbraw/zinc/83/58/01/586835801.db2.gz GQFQAMYZRFGJSP-DZGCQCFKSA-N 1 3 247.386 2.206 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNc1ccccc1 ZINC000817899544 586836360 /nfs/dbraw/zinc/83/63/60/586836360.db2.gz GQFQAMYZRFGJSP-ZFWWWQNUSA-N 1 3 247.386 2.206 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817899544 586836363 /nfs/dbraw/zinc/83/63/63/586836363.db2.gz GQFQAMYZRFGJSP-ZFWWWQNUSA-N 1 3 247.386 2.206 20 0 BEADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817953951 586849016 /nfs/dbraw/zinc/84/90/16/586849016.db2.gz WSAQRPXGIYPJIO-SMDDNHRTSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817957694 586850777 /nfs/dbraw/zinc/85/07/77/586850777.db2.gz DQSDVSNENXZTRS-SMDDNHRTSA-N 1 3 248.370 2.255 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000817965469 586853799 /nfs/dbraw/zinc/85/37/99/586853799.db2.gz QZLWXVHDBSOOSD-NHYWBVRUSA-N 1 3 248.370 2.473 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000817968535 586856378 /nfs/dbraw/zinc/85/63/78/586856378.db2.gz LFYQGQWUOMNFFM-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO COc1c(C)cc(CN[C@H](C)CC[NH3+])cc1C ZINC000841051315 587939821 /nfs/dbraw/zinc/93/98/21/587939821.db2.gz NNHBFEPAYQETSQ-GFCCVEGCSA-N 1 3 236.359 2.139 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000841071154 587943096 /nfs/dbraw/zinc/94/30/96/587943096.db2.gz ZBEFMYJYKUDVFX-ZDUSSCGKSA-N 1 3 236.359 2.139 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)[C@H](C)N ZINC000841076886 587944212 /nfs/dbraw/zinc/94/42/12/587944212.db2.gz RZTHYHALRZYSIJ-WDEREUQCSA-N 1 3 248.370 2.225 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000841076731 587944450 /nfs/dbraw/zinc/94/44/50/587944450.db2.gz NIKLTQSTDDILIP-MNOVXSKESA-N 1 3 229.327 2.060 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1ccccn1 ZINC000843342520 588101311 /nfs/dbraw/zinc/10/13/11/588101311.db2.gz RNDFWZFWZFUMKP-GFCCVEGCSA-N 1 3 221.348 2.251 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000844923581 588219043 /nfs/dbraw/zinc/21/90/43/588219043.db2.gz LMZAYSWTKXHATN-MMWGEVLESA-N 1 3 236.762 2.407 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CC[C@@H]1C ZINC000845997130 588252437 /nfs/dbraw/zinc/25/24/37/588252437.db2.gz VBDZVUWRSLLURG-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO Cl/C=C/CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000846220581 588261419 /nfs/dbraw/zinc/26/14/19/588261419.db2.gz LTUAUYCYNUXNHG-FDQQOCSASA-N 1 3 228.767 2.060 20 0 BEADHO CC(C)[C@H]1CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546712 589296285 /nfs/dbraw/zinc/29/62/85/589296285.db2.gz MZVLZKLQHUQNNS-XQHKEYJVSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](N)C[N@H+](C)CCCc1c(F)cccc1F ZINC000863567821 589299914 /nfs/dbraw/zinc/29/99/14/589299914.db2.gz GZWFXCMKYSGPKP-SNVBAGLBSA-N 1 3 242.313 2.176 20 0 BEADHO C[C@@H](N)C[N@@H+](C)CCCc1c(F)cccc1F ZINC000863567821 589299916 /nfs/dbraw/zinc/29/99/16/589299916.db2.gz GZWFXCMKYSGPKP-SNVBAGLBSA-N 1 3 242.313 2.176 20 0 BEADHO Cc1cnccc1N1CC[N@@H+](C)C(C)(C)CC1 ZINC000866112886 589477250 /nfs/dbraw/zinc/47/72/50/589477250.db2.gz NEPVLOPQAHTDDV-UHFFFAOYSA-N 1 3 233.359 2.311 20 0 BEADHO Cc1cnccc1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866112886 589477251 /nfs/dbraw/zinc/47/72/51/589477251.db2.gz NEPVLOPQAHTDDV-UHFFFAOYSA-N 1 3 233.359 2.311 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C)C(C)(C)CC1 ZINC000866112886 589477252 /nfs/dbraw/zinc/47/72/52/589477252.db2.gz NEPVLOPQAHTDDV-UHFFFAOYSA-N 1 3 233.359 2.311 20 0 BEADHO C(CC1CC1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000866665835 589509502 /nfs/dbraw/zinc/50/95/02/589509502.db2.gz IKVXVEQVBAKNSF-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCC(C)(C)CO1 ZINC000866665315 589509577 /nfs/dbraw/zinc/50/95/77/589509577.db2.gz BFYFCVDJUCDWQM-NEPJUHHUSA-N 1 3 242.407 2.155 20 0 BEADHO CCSCC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705018 589514132 /nfs/dbraw/zinc/51/41/32/589514132.db2.gz RTWFRNDWAQDMMD-ZDUSSCGKSA-N 1 3 244.448 2.436 20 0 BEADHO CCSCC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705018 589514133 /nfs/dbraw/zinc/51/41/33/589514133.db2.gz RTWFRNDWAQDMMD-ZDUSSCGKSA-N 1 3 244.448 2.436 20 0 BEADHO CCCN1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872390080 589931178 /nfs/dbraw/zinc/93/11/78/589931178.db2.gz ZXSLQBMVQDGLJK-UHFFFAOYSA-N 1 3 245.370 2.491 20 0 BEADHO C1=C[C@@H]([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873213771 589997349 /nfs/dbraw/zinc/99/73/49/589997349.db2.gz PEEVOWZDSYNUED-LLVKDONJSA-N 1 3 234.368 2.202 20 0 BEADHO CC(C)CCC[NH2+][C@@]12CCC[C@@H]1NCC2 ZINC000873232100 590000883 /nfs/dbraw/zinc/00/08/83/590000883.db2.gz VPRRIYWRAVNXPP-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000873243268 590000946 /nfs/dbraw/zinc/00/09/46/590000946.db2.gz KIRLUYYXGUDBRZ-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000873243267 590001243 /nfs/dbraw/zinc/00/12/43/590001243.db2.gz KIRLUYYXGUDBRZ-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cccnc1Cl ZINC000873257079 590011908 /nfs/dbraw/zinc/01/19/08/590011908.db2.gz QOAAWZNZOZGLSL-GUBZILKMSA-N 1 3 239.750 2.123 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873258527 590012717 /nfs/dbraw/zinc/01/27/17/590012717.db2.gz RGQYXANCHZUFMZ-QXEWZRGKSA-N 1 3 240.297 2.353 20 0 BEADHO Cc1cc([C@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000873260495 590013524 /nfs/dbraw/zinc/01/35/24/590013524.db2.gz BRXGQXQIWCYWLU-RVMXOQNASA-N 1 3 249.358 2.164 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@H]1C=CCC1 ZINC000873281674 590018486 /nfs/dbraw/zinc/01/84/86/590018486.db2.gz OLCVDSUGQYOGQC-XQQFMLRXSA-N 1 3 210.365 2.448 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC1CC(Nc2ccccc2)C1 ZINC000873295322 590023774 /nfs/dbraw/zinc/02/37/74/590023774.db2.gz FRYUMYSBLRYALE-NEXFUWMNSA-N 1 3 245.370 2.099 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)C(C)C ZINC000019943021 590053189 /nfs/dbraw/zinc/05/31/89/590053189.db2.gz IVCHXNXRZHUOKC-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO CN1CC=C(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877137899 590290984 /nfs/dbraw/zinc/29/09/84/590290984.db2.gz FAZDRPBFTNJRFR-JTQLQIEISA-N 1 3 249.185 2.032 20 0 BEADHO CSC(C)(C)CCN(C)CCC[NH+](C)C ZINC000877522644 590346417 /nfs/dbraw/zinc/34/64/17/590346417.db2.gz QKVGNHVEKBWSNG-UHFFFAOYSA-N 1 3 232.437 2.402 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877742959 590407878 /nfs/dbraw/zinc/40/78/78/590407878.db2.gz SHYKWBFDSJOVBK-XQQFMLRXSA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877742959 590407880 /nfs/dbraw/zinc/40/78/80/590407880.db2.gz SHYKWBFDSJOVBK-XQQFMLRXSA-N 1 3 210.365 2.059 20 0 BEADHO CN1CC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743363 590411779 /nfs/dbraw/zinc/41/17/79/590411779.db2.gz VIQJSJHFHGUSRR-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743363 590411780 /nfs/dbraw/zinc/41/17/80/590411780.db2.gz VIQJSJHFHGUSRR-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@@H](NC2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834365 590430252 /nfs/dbraw/zinc/43/02/52/590430252.db2.gz QFZMQZLXCZYPHG-ZJUUUORDSA-N 1 3 232.318 2.247 20 0 BEADHO C[C@@H]1C[C@@H](NC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834365 590430254 /nfs/dbraw/zinc/43/02/54/590430254.db2.gz QFZMQZLXCZYPHG-ZJUUUORDSA-N 1 3 232.318 2.247 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259552 590980439 /nfs/dbraw/zinc/98/04/39/590980439.db2.gz WAPLJJHDWAPPTG-RDBSUJKOSA-N 1 3 245.370 2.248 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259552 590980442 /nfs/dbraw/zinc/98/04/42/590980442.db2.gz WAPLJJHDWAPPTG-RDBSUJKOSA-N 1 3 245.370 2.248 20 0 BEADHO C[C@@H]1C[C@H]1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880476117 591054292 /nfs/dbraw/zinc/05/42/92/591054292.db2.gz NTMHJIDGNQOVOG-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CN(CC[C@@H]1CCCC1(F)F)C1CC[NH2+]CC1 ZINC000883416133 591652715 /nfs/dbraw/zinc/65/27/15/591652715.db2.gz MMEKMQOXZAHTHW-NSHDSACASA-N 1 3 246.345 2.496 20 0 BEADHO C[C@]1(C[NH3+])CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883428199 591660164 /nfs/dbraw/zinc/66/01/64/591660164.db2.gz NXIVYRLGDRRYBW-NWDGAFQWSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@]1(CN)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883428199 591660167 /nfs/dbraw/zinc/66/01/67/591660167.db2.gz NXIVYRLGDRRYBW-NWDGAFQWSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883428199 591660169 /nfs/dbraw/zinc/66/01/69/591660169.db2.gz NXIVYRLGDRRYBW-NWDGAFQWSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@]1(C[NH3+])CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883428198 591660399 /nfs/dbraw/zinc/66/03/99/591660399.db2.gz NXIVYRLGDRRYBW-NEPJUHHUSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883428198 591660403 /nfs/dbraw/zinc/66/04/03/591660403.db2.gz NXIVYRLGDRRYBW-NEPJUHHUSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883428198 591660407 /nfs/dbraw/zinc/66/04/07/591660407.db2.gz NXIVYRLGDRRYBW-NEPJUHHUSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CN ZINC000883438457 591667412 /nfs/dbraw/zinc/66/74/12/591667412.db2.gz TVOVWDFZRADSPR-IJLUTSLNSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCC2(F)F)C[C@H]1CN ZINC000883438457 591667414 /nfs/dbraw/zinc/66/74/14/591667414.db2.gz TVOVWDFZRADSPR-IJLUTSLNSA-N 1 3 246.345 2.339 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCC2CCOCC2)c2ccccc21 ZINC000132112450 591687134 /nfs/dbraw/zinc/68/71/34/591687134.db2.gz VHXCYVVKDQKBIP-LSDHHAIUSA-N 1 3 246.354 2.147 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCC2CCOCC2)c2ccccc21 ZINC000132112239 591688084 /nfs/dbraw/zinc/68/80/84/591688084.db2.gz VHXCYVVKDQKBIP-HUUCEWRRSA-N 1 3 246.354 2.147 20 0 BEADHO CC[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887134913 592448357 /nfs/dbraw/zinc/44/83/57/592448357.db2.gz SGHDYNFTKFLCNZ-QWHCGFSZSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887134913 592448358 /nfs/dbraw/zinc/44/83/58/592448358.db2.gz SGHDYNFTKFLCNZ-QWHCGFSZSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134913 592448360 /nfs/dbraw/zinc/44/83/60/592448360.db2.gz SGHDYNFTKFLCNZ-QWHCGFSZSA-N 1 3 233.359 2.391 20 0 BEADHO CC(C)C[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887131288 592449946 /nfs/dbraw/zinc/44/99/46/592449946.db2.gz VABXDWYBWOIKDP-CYBMUJFWSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)C[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887131288 592449952 /nfs/dbraw/zinc/44/99/52/592449952.db2.gz VABXDWYBWOIKDP-CYBMUJFWSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000300275498 592505962 /nfs/dbraw/zinc/50/59/62/592505962.db2.gz PDQFXLZQKGGREX-CQDKDKBSSA-N 1 3 248.370 2.128 20 0 BEADHO [NH3+]C[C@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000300999297 592526889 /nfs/dbraw/zinc/52/68/89/592526889.db2.gz VNOWWHMBAZWWCX-WDEREUQCSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300999297 592526890 /nfs/dbraw/zinc/52/68/90/592526890.db2.gz VNOWWHMBAZWWCX-WDEREUQCSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300999297 592526892 /nfs/dbraw/zinc/52/68/92/592526892.db2.gz VNOWWHMBAZWWCX-WDEREUQCSA-N 1 3 232.318 2.093 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCNC12CCC2)CC(F)F ZINC000925707237 634393910 /nfs/dbraw/zinc/39/39/10/634393910.db2.gz DPHFRXGCKSDVOH-NXEZZACHSA-N 1 3 232.318 2.152 20 0 BEADHO CC1(C[N@@H+]2CC[C@]3(C2)CCCNC3)CCC1 ZINC000334350287 634456118 /nfs/dbraw/zinc/45/61/18/634456118.db2.gz FCQFLDHFXYBBSD-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO CC1(C[N@H+]2CC[C@]3(C2)CCCNC3)CCC1 ZINC000334350287 634456122 /nfs/dbraw/zinc/45/61/22/634456122.db2.gz FCQFLDHFXYBBSD-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C=CCC1 ZINC000925731721 634569075 /nfs/dbraw/zinc/56/90/75/634569075.db2.gz MQAWBONWGRTIQX-WCQYABFASA-N 1 3 245.370 2.466 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1C=CCC1 ZINC000925731720 634569704 /nfs/dbraw/zinc/56/97/04/634569704.db2.gz MQAWBONWGRTIQX-DGCLKSJQSA-N 1 3 245.370 2.466 20 0 BEADHO C(CCC1CC1)C[NH2+][C@H]1CCNC12CCC2 ZINC000925735681 634587354 /nfs/dbraw/zinc/58/73/54/634587354.db2.gz WLMQHIQHSHQUQM-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)([NH3+])CCN[C@@H]1CCCc2c(O)cccc21 ZINC000925736477 634590000 /nfs/dbraw/zinc/59/00/00/634590000.db2.gz AEJIMIRKCOSBBC-CYBMUJFWSA-N 1 3 248.370 2.487 20 0 BEADHO Cc1cc(CNCCC(C)(C)[NH3+])ccc1F ZINC000258896180 635222433 /nfs/dbraw/zinc/22/24/33/635222433.db2.gz LVBJMSKMZHCJSP-UHFFFAOYSA-N 1 3 224.323 2.351 20 0 BEADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc2c(c1)CCO2 ZINC000925741853 634602937 /nfs/dbraw/zinc/60/29/37/634602937.db2.gz UXNHEYVZPHRJNK-NSHDSACASA-N 1 3 248.370 2.400 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC23CCC3)CCS1 ZINC000925857695 635549274 /nfs/dbraw/zinc/54/92/74/635549274.db2.gz HWDBZXXVPOCKLH-WOPDTQHZSA-N 1 3 240.416 2.145 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CCS1 ZINC000925860948 635556254 /nfs/dbraw/zinc/55/62/54/635556254.db2.gz MLFDHHIIDPJSML-YVECIDJPSA-N 1 3 242.432 2.378 20 0 BEADHO CO[C@H](C)CNC1CC[NH+](CCC(C)C)CC1 ZINC000926247758 631501771 /nfs/dbraw/zinc/50/17/71/631501771.db2.gz WXZYWQJNOWCSMD-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO [NH3+]C1CCC(NCc2c(F)cccc2F)CC1 ZINC000051692873 631869784 /nfs/dbraw/zinc/86/97/84/631869784.db2.gz BDXRLGKNUPTVTC-UHFFFAOYSA-N 1 3 240.297 2.324 20 0 BEADHO CS[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000235161146 632390968 /nfs/dbraw/zinc/39/09/68/632390968.db2.gz WYYOEWLPOHLWOH-VXGBXAGGSA-N 1 3 228.405 2.002 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219749481 632561424 /nfs/dbraw/zinc/56/14/24/632561424.db2.gz OZCISRRGALPMJP-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219749481 632561429 /nfs/dbraw/zinc/56/14/29/632561429.db2.gz OZCISRRGALPMJP-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236200514 632896316 /nfs/dbraw/zinc/89/63/16/632896316.db2.gz QJJCELYJVZYYEX-ZBFHGGJFSA-N 1 3 244.382 2.261 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236260614 632903898 /nfs/dbraw/zinc/90/38/98/632903898.db2.gz QJJCELYJVZYYEX-HOCLYGCPSA-N 1 3 244.382 2.261 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000232727864 636029281 /nfs/dbraw/zinc/02/92/81/636029281.db2.gz COTHKTSTCQJBRA-NEPJUHHUSA-N 1 3 210.365 2.140 20 0 BEADHO CCC(CC)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328471682 633768230 /nfs/dbraw/zinc/76/82/30/633768230.db2.gz ADXJWOYQMHSVQI-MEBFFEOJSA-N 1 3 222.376 2.009 20 0 BEADHO CC1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCC1 ZINC000328573048 633779700 /nfs/dbraw/zinc/77/97/00/633779700.db2.gz VJNJXWIRCXEVJZ-QSLWVIQJSA-N 1 3 234.387 2.153 20 0 BEADHO CSC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925502362 633826216 /nfs/dbraw/zinc/82/62/16/633826216.db2.gz GVEBZRFFQQYYCC-WISYIIOYSA-N 1 3 242.432 2.104 20 0 BEADHO CSC[C@@H](C)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925502362 633826220 /nfs/dbraw/zinc/82/62/20/633826220.db2.gz GVEBZRFFQQYYCC-WISYIIOYSA-N 1 3 242.432 2.104 20 0 BEADHO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925563191 634048033 /nfs/dbraw/zinc/04/80/33/634048033.db2.gz SKYBFKMYKVEGMV-ZIAGYGMSSA-N 1 3 247.386 2.386 20 0 BEADHO C1CC(C2(N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CCC2)C1 ZINC000925684377 634295731 /nfs/dbraw/zinc/29/57/31/634295731.db2.gz ALCCQQFBTWQFEM-XSXPHNMFSA-N 1 3 246.398 2.295 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000094522063 635371718 /nfs/dbraw/zinc/37/17/18/635371718.db2.gz HQOYIMIWLOXQBC-CYBMUJFWSA-N 1 3 230.355 2.345 20 0 BEADHO C[C@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCCNC1 ZINC000126288740 635749292 /nfs/dbraw/zinc/74/92/92/635749292.db2.gz BJLBOJAGXAMSQV-MJBXVCDLSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CCCNC1 ZINC000126288740 635749300 /nfs/dbraw/zinc/74/93/00/635749300.db2.gz BJLBOJAGXAMSQV-MJBXVCDLSA-N 1 3 222.376 2.108 20 0 BEADHO CCCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000233034965 636340894 /nfs/dbraw/zinc/34/08/94/636340894.db2.gz IWCWAIAYNGSNEK-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000086402135 636885982 /nfs/dbraw/zinc/88/59/82/636885982.db2.gz YESDVVAXAQIFGE-KBPBESRZSA-N 1 3 218.344 2.355 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C[C@H]1CCC[NH2+]1 ZINC000903436753 637361151 /nfs/dbraw/zinc/36/11/51/637361151.db2.gz BFWRXEQQTZLPQR-SYQHCUMBSA-N 1 3 222.376 2.391 20 0 BEADHO [NH3+]C1(CNCCSCc2ccccc2)CC1 ZINC000904443517 637411729 /nfs/dbraw/zinc/41/17/29/637411729.db2.gz KFZGIVWMYTYSHZ-UHFFFAOYSA-N 1 3 236.384 2.001 20 0 BEADHO COc1ccc([C@@H](C)NCCC[NH3+])cc1C ZINC000904444659 637415052 /nfs/dbraw/zinc/41/50/52/637415052.db2.gz OKAXLKAAWGFDMN-LLVKDONJSA-N 1 3 222.332 2.003 20 0 BEADHO CC(C)c1ccc(CCNC2CC([NH3+])C2)cc1 ZINC000906511533 638186115 /nfs/dbraw/zinc/18/61/15/638186115.db2.gz ZPRSMFGJRPRUME-UHFFFAOYSA-N 1 3 232.371 2.432 20 0 BEADHO CC(C)c1ccc(CC[NH2+]C2CC(N)C2)cc1 ZINC000906511533 638186120 /nfs/dbraw/zinc/18/61/20/638186120.db2.gz ZPRSMFGJRPRUME-UHFFFAOYSA-N 1 3 232.371 2.432 20 0 BEADHO CC1(C)CCC[C@@H](C[NH2+][C@H]2C[C@H](N)C2)C1 ZINC000906516723 638187808 /nfs/dbraw/zinc/18/78/08/638187808.db2.gz IYUJORVIJPZOLZ-IJLUTSLNSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H](N)C2)C1 ZINC000906517740 638188188 /nfs/dbraw/zinc/18/81/88/638188188.db2.gz OKGWCNLKCSITTF-RNJOBUHISA-N 1 3 210.365 2.282 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2ccc(C(F)F)cc2)C1 ZINC000150284316 639478083 /nfs/dbraw/zinc/47/80/83/639478083.db2.gz VOTZIQZOEXNVHH-LLVKDONJSA-N 1 3 240.297 2.405 20 0 BEADHO C[C@@H]1CN(CCCCCCC[NH3+])[C@H](C)CO1 ZINC000035787399 639944226 /nfs/dbraw/zinc/94/42/26/639944226.db2.gz DVTBGNYSBNZVBI-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO C[NH+](C)[C@@H]1[C@H]2CN(CCCC3CCC3)C[C@H]21 ZINC000931280514 640132181 /nfs/dbraw/zinc/13/21/81/640132181.db2.gz GXNHZBSJCRQPPW-WDNDVIMCSA-N 1 3 222.376 2.059 20 0 BEADHO CN(C)C1(C)CC[NH+](CC2CC=CC2)CC1 ZINC000931355524 640167182 /nfs/dbraw/zinc/16/71/82/640167182.db2.gz TVDCBKHUVODSKT-UHFFFAOYSA-N 1 3 222.376 2.369 20 0 BEADHO CN(C)C1(C)CC[NH+](CC2CCC2)CC1 ZINC000931351226 640167413 /nfs/dbraw/zinc/16/74/13/640167413.db2.gz IFEVJYOTBFEARC-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH+](C)C1(C)CCN(CC2CCC2)CC1 ZINC000931351226 640167416 /nfs/dbraw/zinc/16/74/16/640167416.db2.gz IFEVJYOTBFEARC-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCCCF ZINC000931720461 640340521 /nfs/dbraw/zinc/34/05/21/640340521.db2.gz AVRJCNUCLAXZSM-QWHCGFSZSA-N 1 3 228.355 2.295 20 0 BEADHO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCCCF ZINC000931720461 640340518 /nfs/dbraw/zinc/34/05/18/640340518.db2.gz AVRJCNUCLAXZSM-QWHCGFSZSA-N 1 3 228.355 2.295 20 0 BEADHO CCCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164645899 640493781 /nfs/dbraw/zinc/49/37/81/640493781.db2.gz JHSGXEFDUZQBCQ-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO CCCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164645899 640493778 /nfs/dbraw/zinc/49/37/78/640493778.db2.gz JHSGXEFDUZQBCQ-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000222612970 640495953 /nfs/dbraw/zinc/49/59/53/640495953.db2.gz SAQMVCPTEJXAAY-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000222612970 640495957 /nfs/dbraw/zinc/49/59/57/640495957.db2.gz SAQMVCPTEJXAAY-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO CCc1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000222647286 640499558 /nfs/dbraw/zinc/49/95/58/640499558.db2.gz UTKNGYVZJUIMHQ-UHFFFAOYSA-N 1 3 220.360 2.466 20 0 BEADHO CC(C)[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000166320873 640630178 /nfs/dbraw/zinc/63/01/78/640630178.db2.gz UHPWXOGUEXGRPN-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000166320873 640630181 /nfs/dbraw/zinc/63/01/81/640630181.db2.gz UHPWXOGUEXGRPN-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000227074602 640815164 /nfs/dbraw/zinc/81/51/64/640815164.db2.gz NOGGAAPXNSETRA-AGIUHOORSA-N 1 3 208.349 2.060 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CC1)CN1CCCC1 ZINC000062077349 641017995 /nfs/dbraw/zinc/01/79/95/641017995.db2.gz IADIBYAEKCXQIV-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000230687134 641087693 /nfs/dbraw/zinc/08/76/93/641087693.db2.gz VUARDMXPTCUMJH-ILXRZTDVSA-N 1 3 248.370 2.272 20 0 BEADHO CCC[NH+](CCC)C[C@@]1(C)CCCNC1 ZINC000062861668 641101540 /nfs/dbraw/zinc/10/15/40/641101540.db2.gz PXKPUKPXBBFZCB-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000232772742 641570569 /nfs/dbraw/zinc/57/05/69/641570569.db2.gz ZXMPPKZCOLCJJP-VXGBXAGGSA-N 1 3 212.381 2.386 20 0 BEADHO CC[NH+](CC)CCNc1cc(N)ncc1Cl ZINC000891391439 642458535 /nfs/dbraw/zinc/45/85/35/642458535.db2.gz TYSZQKDGUSDEIS-UHFFFAOYSA-N 1 3 242.754 2.071 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000233087643 642650298 /nfs/dbraw/zinc/65/02/98/642650298.db2.gz KYKNZZRFLVEDDX-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCC1 ZINC000233089112 642650738 /nfs/dbraw/zinc/65/07/38/642650738.db2.gz RNHBYXAFBASJEN-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602686 643353218 /nfs/dbraw/zinc/35/32/18/643353218.db2.gz CSAOBKPONLOJBB-AAEUAGOBSA-N 1 3 238.400 2.492 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602686 643353221 /nfs/dbraw/zinc/35/32/21/643353221.db2.gz CSAOBKPONLOJBB-AAEUAGOBSA-N 1 3 238.400 2.492 20 0 BEADHO C[C@H]1CC([NH2+]C2CCNCC2)C[C@H](C)C1 ZINC000082834912 643384472 /nfs/dbraw/zinc/38/44/72/643384472.db2.gz IGZACBDQKKCLEO-GHMZBOCLSA-N 1 3 210.365 2.153 20 0 BEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000165424086 643392663 /nfs/dbraw/zinc/39/26/63/643392663.db2.gz ROIGIPYHLYMMKM-OLZOCXBDSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CCCC1 ZINC000084222263 643650453 /nfs/dbraw/zinc/65/04/53/643650453.db2.gz LOBYTSRXOANCBY-CYZMBNFOSA-N 1 3 210.365 2.282 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000084220716 643650712 /nfs/dbraw/zinc/65/07/12/643650712.db2.gz NOWVUAWGECPQFE-NWDGAFQWSA-N 1 3 224.373 2.008 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000084218027 643651058 /nfs/dbraw/zinc/65/10/58/643651058.db2.gz FWRCVRNRZGGPKZ-WCQYABFASA-N 1 3 210.365 2.426 20 0 BEADHO CCCCCC[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923280369 644315523 /nfs/dbraw/zinc/31/55/23/644315523.db2.gz XXYSSBZAICTRBA-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCCC[C@@H](O)C[N@H+](C)C1CCNCC1 ZINC000923280369 644315524 /nfs/dbraw/zinc/31/55/24/644315524.db2.gz XXYSSBZAICTRBA-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCCC[C@@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923280369 644315526 /nfs/dbraw/zinc/31/55/26/644315526.db2.gz XXYSSBZAICTRBA-CQSZACIVSA-N 1 3 242.407 2.002 20 0 BEADHO CC(C)CC[C@@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000923298991 644327021 /nfs/dbraw/zinc/32/70/21/644327021.db2.gz VWERRYRLOORYNW-ZIAGYGMSSA-N 1 3 244.423 2.089 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2cccc(F)c2)C1 ZINC000923333057 644354356 /nfs/dbraw/zinc/35/43/56/644354356.db2.gz SWWDHBFOGNKJMD-YPMHNXCESA-N 1 3 236.334 2.037 20 0 BEADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3cccc(F)c3)C[C@H]12 ZINC000923331780 644359721 /nfs/dbraw/zinc/35/97/21/644359721.db2.gz ICQRRIFGFUIMFO-VHDGCEQUSA-N 1 3 248.345 2.037 20 0 BEADHO C[N@H+](CCCNC1CC1)C[C@H]1CC1(C)C ZINC000923398516 644405145 /nfs/dbraw/zinc/40/51/45/644405145.db2.gz UXQVMMLZWPDKBU-LLVKDONJSA-N 1 3 210.365 2.106 20 0 BEADHO C[N@@H+](CCCNC1CC1)C[C@H]1CC1(C)C ZINC000923398516 644405147 /nfs/dbraw/zinc/40/51/47/644405147.db2.gz UXQVMMLZWPDKBU-LLVKDONJSA-N 1 3 210.365 2.106 20 0 BEADHO CN(CCC[NH2+]C1CC1)C[C@H]1CC1(C)C ZINC000923398516 644405150 /nfs/dbraw/zinc/40/51/50/644405150.db2.gz UXQVMMLZWPDKBU-LLVKDONJSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCNC1)C1CCCCC1 ZINC000086729804 644472357 /nfs/dbraw/zinc/47/23/57/644472357.db2.gz OYFNLPWBFHJAMN-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO C([C@@H]1CC2CCC1CC2)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923516026 644479550 /nfs/dbraw/zinc/47/95/50/644479550.db2.gz RJXPETAOGREJJG-SVXVCFNTSA-N 1 3 248.414 2.354 20 0 BEADHO C([C@@H]1CC2CCC1CC2)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923516026 644479551 /nfs/dbraw/zinc/47/95/51/644479551.db2.gz RJXPETAOGREJJG-SVXVCFNTSA-N 1 3 248.414 2.354 20 0 BEADHO C([C@H]1CC2CCC1CC2)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923516027 644481549 /nfs/dbraw/zinc/48/15/49/644481549.db2.gz RJXPETAOGREJJG-UIEKQHFFSA-N 1 3 248.414 2.354 20 0 BEADHO C([C@H]1CC2CCC1CC2)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923516027 644481551 /nfs/dbraw/zinc/48/15/51/644481551.db2.gz RJXPETAOGREJJG-UIEKQHFFSA-N 1 3 248.414 2.354 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923532719 644489234 /nfs/dbraw/zinc/48/92/34/644489234.db2.gz GENNGJWAGANDAJ-XGUBFFRZSA-N 1 3 234.387 2.251 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923532719 644489235 /nfs/dbraw/zinc/48/92/35/644489235.db2.gz GENNGJWAGANDAJ-XGUBFFRZSA-N 1 3 234.387 2.251 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000248994557 644707366 /nfs/dbraw/zinc/70/73/66/644707366.db2.gz OKZHSXJEORXNTD-BFHYXJOUSA-N 1 3 238.375 2.142 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H]2CCC=CO2)C1 ZINC000248994557 644707374 /nfs/dbraw/zinc/70/73/74/644707374.db2.gz OKZHSXJEORXNTD-BFHYXJOUSA-N 1 3 238.375 2.142 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCCS1 ZINC000250783810 644780832 /nfs/dbraw/zinc/78/08/32/644780832.db2.gz FEZGHORLLIHIMT-YNEHKIRRSA-N 1 3 242.432 2.379 20 0 BEADHO NCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252439953 644851675 /nfs/dbraw/zinc/85/16/75/644851675.db2.gz VFIPEGQHDKRVGD-FRRDWIJNSA-N 1 3 210.365 2.284 20 0 BEADHO CC(C)([NH3+])CCN[C@@H]1CCc2ccccc21 ZINC000304671825 644925723 /nfs/dbraw/zinc/92/57/23/644925723.db2.gz XNEFAQCTXLBJIU-CYBMUJFWSA-N 1 3 218.344 2.391 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H](N)CC)c1 ZINC000817980370 644992654 /nfs/dbraw/zinc/99/26/54/644992654.db2.gz UKYPVHLNBUGRDG-AAEUAGOBSA-N 1 3 236.359 2.473 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc2c(c1)CCO2 ZINC000817980452 644992817 /nfs/dbraw/zinc/99/28/17/644992817.db2.gz VCVIKZDAGPSJRH-UONOGXRCSA-N 1 3 248.370 2.400 20 0 BEADHO CC1(C)[C@H]([NH2+]C2CCCC2)[C@@H]2CCCN[C@@H]21 ZINC000925490168 645535466 /nfs/dbraw/zinc/53/54/66/645535466.db2.gz FGHGCRPQPNCSJG-FRRDWIJNSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925482054 645861681 /nfs/dbraw/zinc/86/16/81/645861681.db2.gz PTWDJZVVQCONPX-RXGFPQBGSA-N 1 3 222.376 2.009 20 0 BEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(F)cc1 ZINC000924524783 646046387 /nfs/dbraw/zinc/04/63/87/646046387.db2.gz KNBZZVWABSLGFL-NNQSOWQGSA-N 1 3 248.345 2.256 20 0 BEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccc(F)cc1 ZINC000924524783 646046393 /nfs/dbraw/zinc/04/63/93/646046393.db2.gz KNBZZVWABSLGFL-NNQSOWQGSA-N 1 3 248.345 2.256 20 0 BEADHO CSCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925501795 646303405 /nfs/dbraw/zinc/30/34/05/646303405.db2.gz CATFKPUCQAAHJL-STQMWFEESA-N 1 3 242.432 2.107 20 0 BEADHO C(N[C@H]1CC[NH2+]C12CCC2)C(C1CC1)C1CC1 ZINC000925514772 646310157 /nfs/dbraw/zinc/31/01/57/646310157.db2.gz MDNYDAHBHJAYEB-AWEZNQCLSA-N 1 3 234.387 2.297 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C(C1CC1)C1CC1 ZINC000925514772 646310164 /nfs/dbraw/zinc/31/01/64/646310164.db2.gz MDNYDAHBHJAYEB-AWEZNQCLSA-N 1 3 234.387 2.297 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925520922 646313580 /nfs/dbraw/zinc/31/35/80/646313580.db2.gz BHRLHNMEULFCHB-TUAOUCFPSA-N 1 3 240.416 2.145 20 0 BEADHO CC(C)CCN1CCC([NH2+]CCCF)CC1 ZINC000925556319 646331811 /nfs/dbraw/zinc/33/18/11/646331811.db2.gz JXFGCDGYIALBTD-UHFFFAOYSA-N 1 3 230.371 2.446 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C1(C2CC2)CC1 ZINC000925589806 646348304 /nfs/dbraw/zinc/34/83/04/646348304.db2.gz KSDBELAFISKIMY-GFCCVEGCSA-N 1 3 220.360 2.051 20 0 BEADHO C[C@H]([NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000925589624 646349325 /nfs/dbraw/zinc/34/93/25/646349325.db2.gz ZTVXILKERKCTKW-RYDUCSDGSA-N 1 3 222.376 2.151 20 0 BEADHO CC1(C)[C@H]([NH2+][C@H]2CC=CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925619336 646366920 /nfs/dbraw/zinc/36/69/20/646366920.db2.gz MRXTYNIINVICLO-RFQIPJPRSA-N 1 3 234.387 2.461 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C1(C2CC2)CCC1 ZINC000925622750 646369953 /nfs/dbraw/zinc/36/99/53/646369953.db2.gz PTAQPHOHXICALJ-CYBMUJFWSA-N 1 3 234.387 2.441 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925633688 646372148 /nfs/dbraw/zinc/37/21/48/646372148.db2.gz GFXOJCJVTNDYLJ-ZDUSSCGKSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925661195 646395959 /nfs/dbraw/zinc/39/59/59/646395959.db2.gz BTMKVJPLHCYWKK-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C1CC12CCC[C@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000925723945 646450257 /nfs/dbraw/zinc/45/02/57/646450257.db2.gz FQVDVSMJRHRJCV-NEPJUHHUSA-N 1 3 220.360 2.193 20 0 BEADHO C[C@H](NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925771308 646470828 /nfs/dbraw/zinc/47/08/28/646470828.db2.gz ATAGNTRXLCHCLL-DBWOOVFOSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1N[C@@H](C1CC1)C1CCCC1 ZINC000925779547 646476676 /nfs/dbraw/zinc/47/66/76/646476676.db2.gz KQLDPKAKTQGJSU-LERXQTSPSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000925779547 646476683 /nfs/dbraw/zinc/47/66/83/646476683.db2.gz KQLDPKAKTQGJSU-LERXQTSPSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1N[C@H](C1CC1)C1CCCC1 ZINC000925779546 646477797 /nfs/dbraw/zinc/47/77/97/646477797.db2.gz KQLDPKAKTQGJSU-HONMWMINSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000925779546 646477798 /nfs/dbraw/zinc/47/77/98/646477798.db2.gz KQLDPKAKTQGJSU-HONMWMINSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925782438 646478912 /nfs/dbraw/zinc/47/89/12/646478912.db2.gz GMPHLOCSBCCGAV-DDHJBXDOSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000925787118 646482772 /nfs/dbraw/zinc/48/27/72/646482772.db2.gz XCAVYZBACUEAGG-FVCCEPFGSA-N 1 3 228.355 2.102 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000925787117 646483047 /nfs/dbraw/zinc/48/30/47/646483047.db2.gz XCAVYZBACUEAGG-FDYHWXHSSA-N 1 3 228.355 2.102 20 0 BEADHO CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H](C)CN(C)C ZINC000926473697 646653014 /nfs/dbraw/zinc/65/30/14/646653014.db2.gz NFBPHRKEVWFKTC-BFHYXJOUSA-N 1 3 244.423 2.103 20 0 BEADHO C[C@@H](C[NH2+]C1CC2(C1)CCCC2)CN(C)C ZINC000926473626 646653518 /nfs/dbraw/zinc/65/35/18/646653518.db2.gz MKYSAYGICRPJLU-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329097 712187761 /nfs/dbraw/zinc/18/77/61/712187761.db2.gz BFSIWOOYAHDVDE-AVGNSLFASA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329097 712187764 /nfs/dbraw/zinc/18/77/64/712187764.db2.gz BFSIWOOYAHDVDE-AVGNSLFASA-N 1 3 240.391 2.003 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712378711 712428649 /nfs/dbraw/zinc/42/86/49/712428649.db2.gz RHUPXNVQXLIWRY-ZUWCUPBKSA-N 1 3 222.376 2.282 20 0 BEADHO CN(C[C@H]1CCC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000713597432 712466365 /nfs/dbraw/zinc/46/63/65/712466365.db2.gz UYDNCCUKSJZJHD-GFCCVEGCSA-N 1 3 242.407 2.108 20 0 BEADHO COCC(C)(C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000718713868 712778232 /nfs/dbraw/zinc/77/82/32/712778232.db2.gz AERMGYYXQGDSPS-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO [NH3+]C[C@H]1CN(CC2CC=CC2)C[C@@H]1C(F)(F)F ZINC000720878443 712872696 /nfs/dbraw/zinc/87/26/96/712872696.db2.gz SRFYJVGKYQQGQN-QWRGUYRKSA-N 1 3 248.292 2.022 20 0 BEADHO CC[C@H](C)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720805287 712867021 /nfs/dbraw/zinc/86/70/21/712867021.db2.gz LXPXVKPHNYVQSO-LPEHRKFASA-N 1 3 238.297 2.102 20 0 BEADHO CC(C)C(C)(C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383308280 710980172 /nfs/dbraw/zinc/98/01/72/710980172.db2.gz NBHWITJQSAUHBO-YHQUGGNUSA-N 1 3 236.403 2.255 20 0 BEADHO C[C@H](CC(C)(C)C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000384575865 710994230 /nfs/dbraw/zinc/99/42/30/710994230.db2.gz VYLJMQVGKONMCA-BBMNEWJDSA-N 1 3 236.403 2.397 20 0 BEADHO C[C@@H]([N@H+](C)C[C@@]1(C)CCCNC1)C1(C)CC1 ZINC000385467755 711013557 /nfs/dbraw/zinc/01/35/57/711013557.db2.gz ORWSYBSOILDMJJ-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([N@@H+](C)C[C@@]1(C)CCCNC1)C1(C)CC1 ZINC000385467755 711013561 /nfs/dbraw/zinc/01/35/61/711013561.db2.gz ORWSYBSOILDMJJ-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CC[N@H+](CCC1CC1)C[C@]1(C)CCCNC1 ZINC000385490485 711013605 /nfs/dbraw/zinc/01/36/05/711013605.db2.gz DZLNRYNRNUWMHW-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC[N@@H+](CCC1CC1)C[C@]1(C)CCCNC1 ZINC000385490485 711013608 /nfs/dbraw/zinc/01/36/08/711013608.db2.gz DZLNRYNRNUWMHW-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)[C@H]1C ZINC000380702821 712902603 /nfs/dbraw/zinc/90/26/03/712902603.db2.gz XSIZJJVEFUAALL-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)[C@H]1C ZINC000380702821 712902604 /nfs/dbraw/zinc/90/26/04/712902604.db2.gz XSIZJJVEFUAALL-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC1(C)C ZINC000387667644 711044732 /nfs/dbraw/zinc/04/47/32/711044732.db2.gz JAJKJHMPTAPNNZ-GRYCIOLGSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H]1CN(CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000390067679 711104066 /nfs/dbraw/zinc/10/40/66/711104066.db2.gz DIHZGKAVIFLIAG-VHSXEESVSA-N 1 3 220.307 2.091 20 0 BEADHO CC(C)[C@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000389668971 711085318 /nfs/dbraw/zinc/08/53/18/711085318.db2.gz SJKUAHWRFHJXTG-NXEZZACHSA-N 1 3 220.307 2.089 20 0 BEADHO CC(C)[C@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000389668974 711085555 /nfs/dbraw/zinc/08/55/55/711085555.db2.gz SJKUAHWRFHJXTG-VHSXEESVSA-N 1 3 220.307 2.089 20 0 BEADHO C[C@H]1CC[N@H+](CCCC2CC2)C[C@@H]1CN ZINC000394668592 711196770 /nfs/dbraw/zinc/19/67/70/711196770.db2.gz RAZGDHCSDURKLG-AAEUAGOBSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1CN ZINC000394668592 711196773 /nfs/dbraw/zinc/19/67/73/711196773.db2.gz RAZGDHCSDURKLG-AAEUAGOBSA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)C1(CN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396702951 711366761 /nfs/dbraw/zinc/36/67/61/711366761.db2.gz LUUKNPROTGXGES-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCNC1CC1 ZINC000399137196 711420872 /nfs/dbraw/zinc/42/08/72/711420872.db2.gz XPEFBDVWXYJPFC-WCQYABFASA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@H+]1CCCNC1CC1 ZINC000399137196 711420876 /nfs/dbraw/zinc/42/08/76/711420876.db2.gz XPEFBDVWXYJPFC-WCQYABFASA-N 1 3 210.365 2.249 20 0 BEADHO Cc1csc(C[NH2+][C@@H]2CCCN[C@H]2C)c1 ZINC000396645283 711362704 /nfs/dbraw/zinc/36/27/04/711362704.db2.gz BZANCNPZBDXXJZ-CMPLNLGQSA-N 1 3 224.373 2.287 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CCCC2CC2)C[C@H]1CN ZINC000397476387 711384008 /nfs/dbraw/zinc/38/40/08/711384008.db2.gz HFQJAQPCDHNTBE-YRGRVCCFSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCC2CC2)C[C@H]1CN ZINC000397476387 711384011 /nfs/dbraw/zinc/38/40/11/711384011.db2.gz HFQJAQPCDHNTBE-YRGRVCCFSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)CN(C)C ZINC000723560989 711517683 /nfs/dbraw/zinc/51/76/83/711517683.db2.gz VLBUHXOTRUCWKF-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@]1(C)CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000399452880 711747342 /nfs/dbraw/zinc/74/73/42/711747342.db2.gz IVVJIJRYMFYLDA-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@]1(C)CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000399452880 711747344 /nfs/dbraw/zinc/74/73/44/711747344.db2.gz IVVJIJRYMFYLDA-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CSC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000229083533 711837474 /nfs/dbraw/zinc/83/74/74/711837474.db2.gz DKWQBQAFSMAKRA-QWRGUYRKSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)C1(Cl)CC1 ZINC000702253504 712041570 /nfs/dbraw/zinc/04/15/70/712041570.db2.gz AEKLUQZNDFZDEC-WDEREUQCSA-N 1 3 230.783 2.078 20 0 BEADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253504 712041572 /nfs/dbraw/zinc/04/15/72/712041572.db2.gz AEKLUQZNDFZDEC-WDEREUQCSA-N 1 3 230.783 2.078 20 0 BEADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)C1(Cl)CC1 ZINC000702253502 712041845 /nfs/dbraw/zinc/04/18/45/712041845.db2.gz AEKLUQZNDFZDEC-MNOVXSKESA-N 1 3 230.783 2.078 20 0 BEADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253502 712041846 /nfs/dbraw/zinc/04/18/46/712041846.db2.gz AEKLUQZNDFZDEC-MNOVXSKESA-N 1 3 230.783 2.078 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)C2(Cl)CC2)C1 ZINC000702253973 712041862 /nfs/dbraw/zinc/04/18/62/712041862.db2.gz BGIQPIHZUGOVRB-MNOVXSKESA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000702253973 712041863 /nfs/dbraw/zinc/04/18/63/712041863.db2.gz BGIQPIHZUGOVRB-MNOVXSKESA-N 1 3 230.783 2.078 20 0 BEADHO CC[N@H+]1CC[C@@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000702253973 712041865 /nfs/dbraw/zinc/04/18/65/712041865.db2.gz BGIQPIHZUGOVRB-MNOVXSKESA-N 1 3 230.783 2.078 20 0 BEADHO Cc1cccc(C)c1CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703597745 712080098 /nfs/dbraw/zinc/08/00/98/712080098.db2.gz WXNZPGQNQBMQJX-GOEBONIOSA-N 1 3 244.382 2.345 20 0 BEADHO CCN(CC)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000705444512 712131309 /nfs/dbraw/zinc/13/13/09/712131309.db2.gz NUSHJVNRCARGPZ-UHFFFAOYSA-N 1 3 242.407 2.002 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCCC12CC2 ZINC000706262961 712142757 /nfs/dbraw/zinc/14/27/57/712142757.db2.gz ITIZEWDWAICLRD-UJOWSUJOSA-N 1 3 246.398 2.153 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCCC12CC2)N(C)C ZINC000706614982 712151329 /nfs/dbraw/zinc/15/13/29/712151329.db2.gz MSQHNQAZLMHSKW-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711417453 712299386 /nfs/dbraw/zinc/29/93/86/712299386.db2.gz VWQFIXDFWMODNR-VXGBXAGGSA-N 1 3 216.344 2.041 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CF)C1 ZINC000711417453 712299388 /nfs/dbraw/zinc/29/93/88/712299388.db2.gz VWQFIXDFWMODNR-VXGBXAGGSA-N 1 3 216.344 2.041 20 0 BEADHO C=C/C=C\CC[N@H+]1CCCC[C@H]1CCN ZINC000713734695 712470423 /nfs/dbraw/zinc/47/04/23/712470423.db2.gz LGWNHINBKOSNGU-SCOBNMCVSA-N 1 3 208.349 2.322 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714815078 712500993 /nfs/dbraw/zinc/50/09/93/712500993.db2.gz ZBVIGMUTWUSGFC-UGUYLWEFSA-N 1 3 248.414 2.483 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714815078 712500995 /nfs/dbraw/zinc/50/09/95/712500995.db2.gz ZBVIGMUTWUSGFC-UGUYLWEFSA-N 1 3 248.414 2.483 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715600100 712527709 /nfs/dbraw/zinc/52/77/09/712527709.db2.gz ICKMLSBPIRKXSS-XQQFMLRXSA-N 1 3 242.432 2.379 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000716582883 712564260 /nfs/dbraw/zinc/56/42/60/712564260.db2.gz LQJUIPGNIIESLH-LACSLYJWSA-N 1 3 236.403 2.386 20 0 BEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000717310712 712646202 /nfs/dbraw/zinc/64/62/02/712646202.db2.gz ULSZIBKQCCKNCF-SNVBAGLBSA-N 1 3 246.326 2.083 20 0 BEADHO O=C1CC2CCC(C1)[NH+]2CC1CC2CCCC2O1 ZINC000720810053 712866910 /nfs/dbraw/zinc/86/69/10/712866910.db2.gz LRHGDCWKJSGVEN-MUGBGTHKSA-N 1 3 249.354 2.140 20 0 BEADHO CC[C@H](C)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720805286 712867223 /nfs/dbraw/zinc/86/72/23/712867223.db2.gz LXPXVKPHNYVQSO-GUBZILKMSA-N 1 3 238.297 2.102 20 0 BEADHO CC[C@H](C)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720805285 712867399 /nfs/dbraw/zinc/86/73/99/712867399.db2.gz LXPXVKPHNYVQSO-AEJSXWLSSA-N 1 3 238.297 2.102 20 0 BEADHO C[C@H]1CC[C@@H](NCC2CC(C)(C)C2)C[NH2+]1 ZINC000706558957 957973909 /nfs/dbraw/zinc/97/39/09/957973909.db2.gz DPUVXSNWBROHCR-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCC[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000694515170 959899603 /nfs/dbraw/zinc/89/96/03/959899603.db2.gz MLUWYPPXNULYBF-PNESKVBLSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000695635916 960310178 /nfs/dbraw/zinc/31/01/78/960310178.db2.gz DVDWPICQYNDOAZ-NWDGAFQWSA-N 1 3 244.810 2.468 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)C2(Cl)CC2)C1 ZINC000695635916 960310186 /nfs/dbraw/zinc/31/01/86/960310186.db2.gz DVDWPICQYNDOAZ-NWDGAFQWSA-N 1 3 244.810 2.468 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCCC1(C)C)N(C)C ZINC000697877970 964604995 /nfs/dbraw/zinc/60/49/95/964604995.db2.gz GMVAESHAZPAGQG-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000157967281 965239712 /nfs/dbraw/zinc/23/97/12/965239712.db2.gz SAQMVCPTEJXAAY-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000157967281 965239726 /nfs/dbraw/zinc/23/97/26/965239726.db2.gz SAQMVCPTEJXAAY-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@]1(C[NH3+])CCCN(Cc2cnsc2)CC1 ZINC001206318537 968226093 /nfs/dbraw/zinc/22/60/93/968226093.db2.gz QYXPWAHZTNCHAL-LBPRGKRZSA-N 1 3 239.388 2.094 20 0 BEADHO C[C@@H]1C[N@H+](CCCNC2CC2)[C@@H](C)[C@H]1C ZINC000399667442 1166250407 /nfs/dbraw/zinc/25/04/07/1166250407.db2.gz MRNMZDUNXGKPEF-WOPDTQHZSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[N@@H+](CCCNC2CC2)[C@@H](C)[C@H]1C ZINC000399667442 1166250411 /nfs/dbraw/zinc/25/04/11/1166250411.db2.gz MRNMZDUNXGKPEF-WOPDTQHZSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H]1C[C@@H](CF)N(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208609195 969161169 /nfs/dbraw/zinc/16/11/69/969161169.db2.gz YWZHLBHPEHURGK-XQQFMLRXSA-N 1 3 228.355 2.008 20 0 BEADHO C[C@H]1C[C@@H](CF)N(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208609195 969161176 /nfs/dbraw/zinc/16/11/76/969161176.db2.gz YWZHLBHPEHURGK-XQQFMLRXSA-N 1 3 228.355 2.008 20 0 BEADHO CCCC1([NH2+]C[C@H](O)CNC(C)(C)C)CCC1 ZINC001253410048 969161751 /nfs/dbraw/zinc/16/17/51/969161751.db2.gz ADUZBTOJPFYLQQ-GFCCVEGCSA-N 1 3 242.407 2.048 20 0 BEADHO CCCC1(NC[C@H](O)C[NH2+]C(C)(C)C)CCC1 ZINC001253410048 969161753 /nfs/dbraw/zinc/16/17/53/969161753.db2.gz ADUZBTOJPFYLQQ-GFCCVEGCSA-N 1 3 242.407 2.048 20 0 BEADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@H](C(F)F)C2)C1 ZINC001208612793 969172673 /nfs/dbraw/zinc/17/26/73/969172673.db2.gz NZDJGQOJYFIZRE-NEPJUHHUSA-N 1 3 246.345 2.305 20 0 BEADHO C[N@H+]1CCC[C@@H](CN2CCC[C@H](C(F)F)C2)C1 ZINC001208612793 969172675 /nfs/dbraw/zinc/17/26/75/969172675.db2.gz NZDJGQOJYFIZRE-NEPJUHHUSA-N 1 3 246.345 2.305 20 0 BEADHO CC(C)(CCN[C@H]1CCC[NH2+]C1)C1CC1 ZINC000328563525 1166475532 /nfs/dbraw/zinc/47/55/32/1166475532.db2.gz JIVCEKKUMJWWOX-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO CCCC[NH+]1CCC(N(C)[C@@H](C)COC)CC1 ZINC001255577376 970377099 /nfs/dbraw/zinc/37/70/99/970377099.db2.gz FXVLNILSEYPAQW-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO Cc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000379804120 1166789818 /nfs/dbraw/zinc/78/98/18/1166789818.db2.gz NGYUNVRQWFYTBL-JQWIXIFHSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000379804129 1166790622 /nfs/dbraw/zinc/79/06/22/1166790622.db2.gz NGYUNVRQWFYTBL-ZYHUDNBSSA-N 1 3 224.373 2.226 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC001255941598 970568001 /nfs/dbraw/zinc/56/80/01/970568001.db2.gz UQMAQIOLWDIDAG-KBPBESRZSA-N 1 3 244.423 2.367 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](COC)C(C)C ZINC001255941598 970568011 /nfs/dbraw/zinc/56/80/11/970568011.db2.gz UQMAQIOLWDIDAG-KBPBESRZSA-N 1 3 244.423 2.367 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@H](COC)C(C)C ZINC001255941600 970573681 /nfs/dbraw/zinc/57/36/81/970573681.db2.gz UQMAQIOLWDIDAG-UONOGXRCSA-N 1 3 244.423 2.367 20 0 BEADHO CCCN(CCOC)[C@H](C)CC[NH+](CC)CC ZINC001255954236 970588918 /nfs/dbraw/zinc/58/89/18/970588918.db2.gz BISFIUMNUDHUMG-CQSZACIVSA-N 1 3 244.423 2.465 20 0 BEADHO CCC[N@H+](CCOC)[C@H](C)CCN(CC)CC ZINC001255954236 970588927 /nfs/dbraw/zinc/58/89/27/970588927.db2.gz BISFIUMNUDHUMG-CQSZACIVSA-N 1 3 244.423 2.465 20 0 BEADHO CCC[N@@H+](CCOC)[C@H](C)CCN(CC)CC ZINC001255954236 970588936 /nfs/dbraw/zinc/58/89/36/970588936.db2.gz BISFIUMNUDHUMG-CQSZACIVSA-N 1 3 244.423 2.465 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC000252770685 1166832391 /nfs/dbraw/zinc/83/23/91/1166832391.db2.gz LEATTXCNFOHCNM-PGUXBMHVSA-N 1 3 248.345 2.482 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC001255957639 970595378 /nfs/dbraw/zinc/59/53/78/970595378.db2.gz UAHHAURNUZOCAP-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318486 1166911961 /nfs/dbraw/zinc/91/19/61/1166911961.db2.gz BWBHUZCCDWLWFP-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318486 1166911965 /nfs/dbraw/zinc/91/19/65/1166911965.db2.gz BWBHUZCCDWLWFP-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[NH+]1CCC(N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001256209562 970708425 /nfs/dbraw/zinc/70/84/25/970708425.db2.gz YKTPXKSSEMJLBB-JSGCOSHPSA-N 1 3 222.376 2.345 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCO1 ZINC001173170131 975063846 /nfs/dbraw/zinc/06/38/46/975063846.db2.gz JWTVQZNMMYOURA-DGAVXFQQSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@]1(N)CC[N@H+](CCCC2CCCC2)C1 ZINC001204763924 1167184898 /nfs/dbraw/zinc/18/48/98/1167184898.db2.gz SPWNWCMJZUEUCS-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@]1(N)CC[N@@H+](CCCC2CCCC2)C1 ZINC001204763924 1167184905 /nfs/dbraw/zinc/18/49/05/1167184905.db2.gz SPWNWCMJZUEUCS-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC/C=C\C2CC2)C1 ZINC001334742587 976612745 /nfs/dbraw/zinc/61/27/45/976612745.db2.gz JQTRFVOKYMMJLA-DHCBQETCSA-N 1 3 222.376 2.320 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000385505076 1167393776 /nfs/dbraw/zinc/39/37/76/1167393776.db2.gz LOWIRHOQTCDEET-RYUDHWBXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000385505076 1167393778 /nfs/dbraw/zinc/39/37/78/1167393778.db2.gz LOWIRHOQTCDEET-RYUDHWBXSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CN1 ZINC000227168450 1167446698 /nfs/dbraw/zinc/44/66/98/1167446698.db2.gz VEUCWUGYRDUPKE-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]3CCC[C@@H]32)CN1 ZINC000227168450 1167446702 /nfs/dbraw/zinc/44/67/02/1167446702.db2.gz VEUCWUGYRDUPKE-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000215787531 1167478707 /nfs/dbraw/zinc/47/87/07/1167478707.db2.gz NESCTUXHFZOEPS-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000215787531 1167478712 /nfs/dbraw/zinc/47/87/12/1167478712.db2.gz NESCTUXHFZOEPS-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO Cc1cccc2c1CC[C@@H](N[C@H]1C[C@@](C)([NH3+])C1)C2 ZINC001246457096 1168638257 /nfs/dbraw/zinc/63/82/57/1168638257.db2.gz CGKYHNBTNKILDK-FMKPAKJESA-N 1 3 244.382 2.322 20 0 BEADHO Cc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@@](C)(N)C1)C2 ZINC001246457096 1168638263 /nfs/dbraw/zinc/63/82/63/1168638263.db2.gz CGKYHNBTNKILDK-FMKPAKJESA-N 1 3 244.382 2.322 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)C1CCCC1 ZINC001308983265 1169056374 /nfs/dbraw/zinc/05/63/74/1169056374.db2.gz BVPJGNMQJYRLQU-ZGKBOVNRSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001246589589 972993165 /nfs/dbraw/zinc/99/31/65/972993165.db2.gz SSIDMUYCUBALBU-VGMNWLOBSA-N 1 3 242.260 2.089 20 0 BEADHO C[C@H](CC(F)(F)F)[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001246589589 972993175 /nfs/dbraw/zinc/99/31/75/972993175.db2.gz SSIDMUYCUBALBU-VGMNWLOBSA-N 1 3 242.260 2.089 20 0 BEADHO C[NH2+]CC1CN([C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001246594785 973002426 /nfs/dbraw/zinc/00/24/26/973002426.db2.gz FGMMXBHXCDJCLU-AAEUAGOBSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H]1C[C@H]([NH+]2CC3(CNC3)C2)CC(C)(C)C1 ZINC001246612080 973032206 /nfs/dbraw/zinc/03/22/06/973032206.db2.gz FKRKSSUGXRYANH-RYUDHWBXSA-N 1 3 222.376 2.106 20 0 BEADHO CSC(C)(C)C[C@H](C)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246854708 973175267 /nfs/dbraw/zinc/17/52/67/973175267.db2.gz QQWKUJGHLLWIBQ-LOWVWBTDSA-N 1 3 242.432 2.330 20 0 BEADHO NC[C@@H]1CCCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000402202313 970767803 /nfs/dbraw/zinc/76/78/03/970767803.db2.gz FFNWMHXUHCUFJO-KBPBESRZSA-N 1 3 222.376 2.404 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000402202313 970767810 /nfs/dbraw/zinc/76/78/10/970767810.db2.gz FFNWMHXUHCUFJO-KBPBESRZSA-N 1 3 222.376 2.404 20 0 BEADHO c1cc2c[nH]cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c-2n1 ZINC001162982699 1169453412 /nfs/dbraw/zinc/45/34/12/1169453412.db2.gz IOECNZVZXHNDAI-GXTWGEPZSA-N 1 3 242.326 2.259 20 0 BEADHO c1cc2cncc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c2[nH]1 ZINC001162982699 1169453417 /nfs/dbraw/zinc/45/34/17/1169453417.db2.gz IOECNZVZXHNDAI-GXTWGEPZSA-N 1 3 242.326 2.259 20 0 BEADHO CC(C)(C)N1CCC([NH2+]CCn2cccc2)CC1 ZINC001256558694 970862641 /nfs/dbraw/zinc/86/26/41/970862641.db2.gz WAHJHIQWKKCTQE-UHFFFAOYSA-N 1 3 249.402 2.341 20 0 BEADHO C[C@H]1CC[N@@H+]1C1CCN(C(C)(C)C)CC1 ZINC001256569494 970868936 /nfs/dbraw/zinc/86/89/36/970868936.db2.gz HFGMIVCBSYJEGX-NSHDSACASA-N 1 3 210.365 2.344 20 0 BEADHO C[C@H]1CC[N@H+]1C1CCN(C(C)(C)C)CC1 ZINC001256569494 970868938 /nfs/dbraw/zinc/86/89/38/970868938.db2.gz HFGMIVCBSYJEGX-NSHDSACASA-N 1 3 210.365 2.344 20 0 BEADHO C[C@@H](Cc1ccncc1)[NH2+]CCCN1CCCC1 ZINC001256716552 970934958 /nfs/dbraw/zinc/93/49/58/970934958.db2.gz TWWYHKJWFGRUEU-AWEZNQCLSA-N 1 3 247.386 2.088 20 0 BEADHO C[NH2+]Cc1cccc(Nc2ccncc2C)c1F ZINC001216219233 970991596 /nfs/dbraw/zinc/99/15/96/970991596.db2.gz QUBLZFBHYXXDAG-UHFFFAOYSA-N 1 3 245.301 2.414 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403654061 971004191 /nfs/dbraw/zinc/00/41/91/971004191.db2.gz IBOYQVIKHLSNLX-OFIBSPLFSA-N 1 3 240.416 2.130 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073717 971090047 /nfs/dbraw/zinc/09/00/47/971090047.db2.gz TWRIWVWHUAPISW-CLLJXQQHSA-N 1 3 228.380 2.003 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073717 971090060 /nfs/dbraw/zinc/09/00/60/971090060.db2.gz TWRIWVWHUAPISW-CLLJXQQHSA-N 1 3 228.380 2.003 20 0 BEADHO CCC[N@H+](CCCN)C1C[C@@H](C)O[C@H](C)C1 ZINC001257073719 971090385 /nfs/dbraw/zinc/09/03/85/971090385.db2.gz TWRIWVWHUAPISW-VXGBXAGGSA-N 1 3 228.380 2.003 20 0 BEADHO CCC[N@@H+](CCCN)C1C[C@@H](C)O[C@H](C)C1 ZINC001257073719 971090391 /nfs/dbraw/zinc/09/03/91/971090391.db2.gz TWRIWVWHUAPISW-VXGBXAGGSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)(C)SCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405199785 971207931 /nfs/dbraw/zinc/20/79/31/971207931.db2.gz CGQAGQHMYKJZHW-WDEREUQCSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)(C)SCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405199785 971207937 /nfs/dbraw/zinc/20/79/37/971207937.db2.gz CGQAGQHMYKJZHW-WDEREUQCSA-N 1 3 242.432 2.378 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCC2(F)F)C12CCC2 ZINC000405270634 971222040 /nfs/dbraw/zinc/22/20/40/971222040.db2.gz RQJKQKKEAQDXQN-MXWKQRLJSA-N 1 3 244.329 2.281 20 0 BEADHO CC1(C)[C@H](NCCc2cccc(F)c2)C[C@@H]1[NH3+] ZINC000405309456 971233866 /nfs/dbraw/zinc/23/38/66/971233866.db2.gz ZWHKSYUPRFXVPF-QWHCGFSZSA-N 1 3 236.334 2.084 20 0 BEADHO CC(C)(CCN1C[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000406049746 971348467 /nfs/dbraw/zinc/34/84/67/971348467.db2.gz GLDQQWLNOQGPCK-LBPRGKRZSA-N 1 3 224.392 2.482 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CC)C[C@H]2C1 ZINC001257446910 971362532 /nfs/dbraw/zinc/36/25/32/971362532.db2.gz SKLOZVKLGMYVQC-JHJVBQTASA-N 1 3 210.365 2.059 20 0 BEADHO C1C[NH+](C2CCN([C@H]3CCCSC3)CC2)C1 ZINC001257685431 971489029 /nfs/dbraw/zinc/48/90/29/971489029.db2.gz OLXXQSCKZGIAMO-ZDUSSCGKSA-N 1 3 240.416 2.052 20 0 BEADHO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc2c1CNC2 ZINC001217992417 971563402 /nfs/dbraw/zinc/56/34/02/971563402.db2.gz RHTLLSZMGAJANR-RISCZKNCSA-N 1 3 246.354 2.057 20 0 BEADHO C[C@H](Oc1cccc2c1CNC2)C1CC[NH2+]CC1 ZINC001218005596 971568860 /nfs/dbraw/zinc/56/88/60/971568860.db2.gz KNOCALRIYYIRRW-NSHDSACASA-N 1 3 246.354 2.057 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CF)CC1)C2 ZINC001172101177 974327500 /nfs/dbraw/zinc/32/75/00/974327500.db2.gz XESAEWKNTLPRTL-CNDDSTCGSA-N 1 3 226.339 2.093 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724412 971653868 /nfs/dbraw/zinc/65/38/68/971653868.db2.gz JIVZODBRRWHDKH-YIYPIFLZSA-N 1 3 236.403 2.495 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724409 971655948 /nfs/dbraw/zinc/65/59/48/971655948.db2.gz JIVZODBRRWHDKH-FQUUOJAGSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@@H](C)OCC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001172327061 974535668 /nfs/dbraw/zinc/53/56/68/974535668.db2.gz CQBGYWPLZCMOAO-QWHCGFSZSA-N 1 3 242.407 2.393 20 0 BEADHO C([C@H]1CCCCN1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000309934656 971884007 /nfs/dbraw/zinc/88/40/07/971884007.db2.gz XTTMNZHMWXCYGW-MGPQQGTHSA-N 1 3 222.376 2.251 20 0 BEADHO COc1cccc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC000310990096 971990602 /nfs/dbraw/zinc/99/06/02/971990602.db2.gz GMISDKWDFFTVEP-AWEZNQCLSA-N 1 3 248.370 2.256 20 0 BEADHO Cc1cc(Cl)cc(C)c1N[C@H](N)CCC[NH3+] ZINC001170898990 972062062 /nfs/dbraw/zinc/06/20/62/972062062.db2.gz GCFGQKLSJZYVSG-NSHDSACASA-N 1 3 241.766 2.392 20 0 BEADHO CCCc1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900586 972065909 /nfs/dbraw/zinc/06/59/09/972065909.db2.gz MKJPTCQFBYDQJI-CYBMUJFWSA-N 1 3 221.348 2.075 20 0 BEADHO N[C@@H](CCC[NH3+])Nc1cccc(C(F)F)c1 ZINC001170900476 972066183 /nfs/dbraw/zinc/06/61/83/972066183.db2.gz URNQOOJELFVKJN-SNVBAGLBSA-N 1 3 229.274 2.060 20 0 BEADHO C[C@@H]1CC[C@H](CNC2CCCCC2)[NH2+]C1 ZINC001246115086 972176666 /nfs/dbraw/zinc/17/66/66/972176666.db2.gz QUABTAXVDRDLMV-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@@H](CC)[NH2+][C@H]1CNCC12CC2 ZINC001246133531 972192218 /nfs/dbraw/zinc/19/22/18/972192218.db2.gz OEJBEZRYJIXBNA-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246132246 972190734 /nfs/dbraw/zinc/19/07/34/972190734.db2.gz LHMWNPXTVVXLHO-CHWSQXEVSA-N 1 3 222.376 2.463 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246132252 972191256 /nfs/dbraw/zinc/19/12/56/972191256.db2.gz LHMWNPXTVVXLHO-QWHCGFSZSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1cccc(F)c1 ZINC001246306968 972269083 /nfs/dbraw/zinc/26/90/83/972269083.db2.gz UNVSZZWTVLXAHS-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](Cc1ccco1)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000397523290 957663639 /nfs/dbraw/zinc/66/36/39/957663639.db2.gz FZOUKTXISBNQFP-FRRDWIJNSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000397523297 957663964 /nfs/dbraw/zinc/66/39/64/957663964.db2.gz FZOUKTXISBNQFP-JHJVBQTASA-N 1 3 236.359 2.188 20 0 BEADHO CCCCC[C@@H](CC)[NH2+][C@@H]1CC12CNC2 ZINC001246441932 972313256 /nfs/dbraw/zinc/31/32/56/972313256.db2.gz ATXQZUFWQQCWSQ-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246443019 972314618 /nfs/dbraw/zinc/31/46/18/972314618.db2.gz FPEZFEIOSCOWCC-WXRRBKDZSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246443019 972314624 /nfs/dbraw/zinc/31/46/24/972314624.db2.gz FPEZFEIOSCOWCC-WXRRBKDZSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000723122319 958162739 /nfs/dbraw/zinc/16/27/39/958162739.db2.gz OPFPFUQLTAPWHT-LPWJVIDDSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000723122319 958162750 /nfs/dbraw/zinc/16/27/50/958162750.db2.gz OPFPFUQLTAPWHT-LPWJVIDDSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CC([NH2+][C@H]2C[C@@](C)(N)C2)C[C@@H](C)C1 ZINC001246458508 972330452 /nfs/dbraw/zinc/33/04/52/972330452.db2.gz HAKYSZJHASUFHR-XRRVDJEJSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@@]1([NH2+]C2CCCCCC2)CCNC1 ZINC001246459084 972332793 /nfs/dbraw/zinc/33/27/93/972332793.db2.gz JCTFGSDBTHNJDD-CYBMUJFWSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@H]1CC[C@@H](NCCCC(F)(F)F)C[NH2+]1 ZINC000399221963 958570991 /nfs/dbraw/zinc/57/09/91/958570991.db2.gz CHOSZYXWAYYMHZ-DTWKUNHWSA-N 1 3 224.270 2.059 20 0 BEADHO C1CC2(CCCCC2)[N@@H+]1[C@@H]1CCCNC1 ZINC000707663841 958656724 /nfs/dbraw/zinc/65/67/24/958656724.db2.gz XWYVEYQQTVJFGR-GFCCVEGCSA-N 1 3 208.349 2.147 20 0 BEADHO C1CC2(CCCCC2)[N@H+]1[C@@H]1CCCNC1 ZINC000707663841 958656735 /nfs/dbraw/zinc/65/67/35/958656735.db2.gz XWYVEYQQTVJFGR-GFCCVEGCSA-N 1 3 208.349 2.147 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)CCc1ccccn1 ZINC001207274900 958843137 /nfs/dbraw/zinc/84/31/37/958843137.db2.gz HBYMFZLJGNJYIH-UHFFFAOYSA-N 1 3 249.402 2.144 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1ccccn1 ZINC001207274900 958843138 /nfs/dbraw/zinc/84/31/38/958843138.db2.gz HBYMFZLJGNJYIH-UHFFFAOYSA-N 1 3 249.402 2.144 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001222141454 972389180 /nfs/dbraw/zinc/38/91/80/972389180.db2.gz MJDLCTPHQVJXFB-ZJIFWQFVSA-N 1 3 246.398 2.274 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001222141454 972389192 /nfs/dbraw/zinc/38/91/92/972389192.db2.gz MJDLCTPHQVJXFB-ZJIFWQFVSA-N 1 3 246.398 2.274 20 0 BEADHO CS[C@@H](C)CC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230651 972410507 /nfs/dbraw/zinc/41/05/07/972410507.db2.gz CDQGMNPZOQRWMG-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CS[C@@H](C)CC[N@H+]1CCC[C@]12CCCNC2 ZINC001222230651 972410516 /nfs/dbraw/zinc/41/05/16/972410516.db2.gz CDQGMNPZOQRWMG-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO C(C1CCC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222231150 972412902 /nfs/dbraw/zinc/41/29/02/972412902.db2.gz JZBUBCHFRFBDPS-CYBMUJFWSA-N 1 3 208.349 2.005 20 0 BEADHO C(C1CCC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001222231150 972412910 /nfs/dbraw/zinc/41/29/10/972412910.db2.gz JZBUBCHFRFBDPS-CYBMUJFWSA-N 1 3 208.349 2.005 20 0 BEADHO C(C1CCC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001222231150 972412915 /nfs/dbraw/zinc/41/29/15/972412915.db2.gz JZBUBCHFRFBDPS-CYBMUJFWSA-N 1 3 208.349 2.005 20 0 BEADHO Cc1sccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708865058 959985670 /nfs/dbraw/zinc/98/56/70/959985670.db2.gz ZFCSALDAEPGTSM-JOYOIKCWSA-N 1 3 224.373 2.083 20 0 BEADHO C[C@]1([NH3+])CCN(C2CCc3ccccc3CC2)C1 ZINC001246537116 972479088 /nfs/dbraw/zinc/47/90/88/972479088.db2.gz YFDFNDKBUUBYPU-INIZCTEOSA-N 1 3 244.382 2.357 20 0 BEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCC(F)(F)C2)C12CCC2 ZINC000695112757 960105768 /nfs/dbraw/zinc/10/57/68/960105768.db2.gz MFHFMFWVCAXKOR-MXWKQRLJSA-N 1 3 244.329 2.424 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695765020 960445709 /nfs/dbraw/zinc/44/57/09/960445709.db2.gz SJMJIVGBCPSFMD-YNEHKIRRSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000709525819 960633386 /nfs/dbraw/zinc/63/33/86/960633386.db2.gz RTKRSYRGDVFZRW-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000709525819 960633402 /nfs/dbraw/zinc/63/34/02/960633402.db2.gz RTKRSYRGDVFZRW-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO Cl/C=C\CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692915156 961322537 /nfs/dbraw/zinc/32/25/37/961322537.db2.gz LSKNFKZVXNRRAH-XYRDXQRHSA-N 1 3 242.794 2.451 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167892141 961493213 /nfs/dbraw/zinc/49/32/13/961493213.db2.gz SGDFNOSBZBIKKM-CLLJXQQHSA-N 1 3 210.365 2.106 20 0 BEADHO CN(C/C=C/Cl)CCCCCC[NH3+] ZINC000710683723 961773404 /nfs/dbraw/zinc/77/34/04/961773404.db2.gz KNKHCCVDTOFZBA-VOTSOKGWSA-N 1 3 204.745 2.190 20 0 BEADHO C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccncc3)CC2)C1 ZINC000092874348 961898278 /nfs/dbraw/zinc/89/82/78/961898278.db2.gz HMADQCBECSBUIZ-UKRRQHHQSA-N 1 3 245.370 2.392 20 0 BEADHO Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)cc(C)n1 ZINC001206632864 962150227 /nfs/dbraw/zinc/15/02/27/962150227.db2.gz PJJSYOFMUBBCGL-AWEZNQCLSA-N 1 3 247.386 2.259 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000710384748 962376819 /nfs/dbraw/zinc/37/68/19/962376819.db2.gz MZFQKCYTDGAPSI-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C(CNC1CC1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000688239841 963094443 /nfs/dbraw/zinc/09/44/43/963094443.db2.gz NAGZOXYOLVFRDH-AWEZNQCLSA-N 1 3 222.376 2.393 20 0 BEADHO C(CNC1CC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000688239841 963094462 /nfs/dbraw/zinc/09/44/62/963094462.db2.gz NAGZOXYOLVFRDH-AWEZNQCLSA-N 1 3 222.376 2.393 20 0 BEADHO Cc1nc(N2CCC[C@H]([NH3+])[C@@H]2C)cc2[nH]ccc21 ZINC001157746116 963715098 /nfs/dbraw/zinc/71/50/98/963715098.db2.gz PYFJFWAXSOWCOT-JQWIXIFHSA-N 1 3 244.342 2.187 20 0 BEADHO Cc1nc(N2CCC[C@@H]([NH3+])[C@@H]2C)cc2[nH]ccc21 ZINC001157746115 963715648 /nfs/dbraw/zinc/71/56/48/963715648.db2.gz PYFJFWAXSOWCOT-CMPLNLGQSA-N 1 3 244.342 2.187 20 0 BEADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1ccncc1 ZINC001256747088 1169837967 /nfs/dbraw/zinc/83/79/67/1169837967.db2.gz CLJNPUWJPHQDEK-CQSZACIVSA-N 1 3 249.402 2.286 20 0 BEADHO CC[C@H]([NH2+]CC[C@H](C)N(C)C)C1CCC1 ZINC000697824824 964544399 /nfs/dbraw/zinc/54/43/99/964544399.db2.gz MGNANTMEDBIDTH-AAEUAGOBSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCCSCC1)N(C)C ZINC000697846255 964565552 /nfs/dbraw/zinc/56/55/52/964565552.db2.gz BZIIGUOBLCEKMP-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N(C)C ZINC000697869833 964595452 /nfs/dbraw/zinc/59/54/52/964595452.db2.gz IXSHDOMEIHBGTQ-RNJOBUHISA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCC(C)(C)C1)N(C)C ZINC000697879261 964604053 /nfs/dbraw/zinc/60/40/53/964604053.db2.gz NEGORBXNZKGEKB-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO c1ccc([C@@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000149714484 964614577 /nfs/dbraw/zinc/61/45/77/964614577.db2.gz OOUPHCVQCFQHLO-YKUJZXIWSA-N 1 3 242.366 2.415 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1cscn1 ZINC000697905351 964672986 /nfs/dbraw/zinc/67/29/86/964672986.db2.gz LAAGZTLAGZUGCL-JTQLQIEISA-N 1 3 227.377 2.313 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](Nc2cccc(N)n2)[C@H](C)C1 ZINC001163365413 965370013 /nfs/dbraw/zinc/37/00/13/965370013.db2.gz ZVKAJMURYHKZIO-VXGBXAGGSA-N 1 3 248.374 2.195 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](Nc2cccc(N)n2)[C@H](C)C1 ZINC001163365413 965370024 /nfs/dbraw/zinc/37/00/24/965370024.db2.gz ZVKAJMURYHKZIO-VXGBXAGGSA-N 1 3 248.374 2.195 20 0 BEADHO CCCOCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000714974919 965573796 /nfs/dbraw/zinc/57/37/96/965573796.db2.gz OGYCWTNJLPZNIU-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO [NH3+][C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205094387 965726276 /nfs/dbraw/zinc/72/62/76/965726276.db2.gz LUIIOHHAFZIZFN-CQSZACIVSA-N 1 3 243.354 2.481 20 0 BEADHO [NH3+][C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001205094729 965729623 /nfs/dbraw/zinc/72/96/23/965729623.db2.gz OTRFWOZKQWFRKW-CQSZACIVSA-N 1 3 243.354 2.481 20 0 BEADHO CN(C)c1ccccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205094904 965735600 /nfs/dbraw/zinc/73/56/00/965735600.db2.gz RIVYKWBAJZCEBF-CQSZACIVSA-N 1 3 247.386 2.066 20 0 BEADHO [NH3+][C@@H]1CCCN(Cc2c[nH]c3ccccc23)CC1 ZINC001205095197 965739431 /nfs/dbraw/zinc/73/94/31/965739431.db2.gz VEQCZXYVYLYTKO-CYBMUJFWSA-N 1 3 243.354 2.481 20 0 BEADHO Cc1nc2ccc(N(CCC[NH3+])C(C)C)cc2[nH]1 ZINC001164123057 965745167 /nfs/dbraw/zinc/74/51/67/965745167.db2.gz XYLKWOKLAOMKPW-UHFFFAOYSA-N 1 3 246.358 2.435 20 0 BEADHO C[C@@H](C[NH+](C)C)Oc1cccc2c1CCN(C)C2 ZINC001234421307 965819873 /nfs/dbraw/zinc/81/98/73/965819873.db2.gz CUVFTODSBRFXCY-LBPRGKRZSA-N 1 3 248.370 2.003 20 0 BEADHO CCCC[C@@H](CC)CN1CC(C)(C[NH3+])C1 ZINC001206710932 966187133 /nfs/dbraw/zinc/18/71/33/966187133.db2.gz BAZGBEPIEXQKIN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC001236167794 966279106 /nfs/dbraw/zinc/27/91/06/966279106.db2.gz GDFLUISZPKARDL-RWMBFGLXSA-N 1 3 208.349 2.012 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC001236167796 966280074 /nfs/dbraw/zinc/28/00/74/966280074.db2.gz GDFLUISZPKARDL-XQQFMLRXSA-N 1 3 208.349 2.012 20 0 BEADHO C[C@@H]1CCCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000705575806 966737106 /nfs/dbraw/zinc/73/71/06/966737106.db2.gz DXSJJZKYPKTLQJ-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000705575806 966737109 /nfs/dbraw/zinc/73/71/09/966737109.db2.gz DXSJJZKYPKTLQJ-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1(Nc2ccc3nc[nH]c3c2C)C[NH2+]C1 ZINC001168584095 966933783 /nfs/dbraw/zinc/93/37/83/966933783.db2.gz YUNJXQKMJGEFFR-UHFFFAOYSA-N 1 3 230.315 2.035 20 0 BEADHO Cc1cc(C)c(CN2CCCC[C@@H](C[NH3+])C2)[nH]1 ZINC001206616966 968419637 /nfs/dbraw/zinc/41/96/37/968419637.db2.gz VKOLIZUDBQOMJL-ZDUSSCGKSA-N 1 3 235.375 2.192 20 0 BEADHO C[NH+](C)CC(C)(C)CN1CCC[C@H](CF)C1 ZINC001207286918 968715516 /nfs/dbraw/zinc/71/55/16/968715516.db2.gz WJDRBTJZKBCBES-GFCCVEGCSA-N 1 3 230.371 2.256 20 0 BEADHO C[N@H+](CCCN)CC1CCC2(CC2)CC1 ZINC000829155634 968826414 /nfs/dbraw/zinc/82/64/14/968826414.db2.gz HSCPMURLBBTWSJ-UHFFFAOYSA-N 1 3 210.365 2.237 20 0 BEADHO C[N@@H+](CCCN)CC1CCC2(CC2)CC1 ZINC000829155634 968826419 /nfs/dbraw/zinc/82/64/19/968826419.db2.gz HSCPMURLBBTWSJ-UHFFFAOYSA-N 1 3 210.365 2.237 20 0 BEADHO CN1CC2(C1)CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207632112 968848427 /nfs/dbraw/zinc/84/84/27/968848427.db2.gz MIBADMAVCXNEQG-ZNMIVQPWSA-N 1 3 246.398 2.226 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC001207858100 968892018 /nfs/dbraw/zinc/89/20/18/968892018.db2.gz DIQZRZORESEGGJ-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[N@H+](C[C@H](O)CNC(C)(C)C)[C@H](C)CC ZINC001253384921 969148410 /nfs/dbraw/zinc/14/84/10/969148410.db2.gz MTUAOUHVOGSHJG-CHWSQXEVSA-N 1 3 244.423 2.246 20 0 BEADHO CCC[N@@H+](C[C@H](O)CNC(C)(C)C)[C@H](C)CC ZINC001253384921 969148416 /nfs/dbraw/zinc/14/84/16/969148416.db2.gz MTUAOUHVOGSHJG-CHWSQXEVSA-N 1 3 244.423 2.246 20 0 BEADHO CCCC[N@H+](C)CCCNC[C@@H](O)C(C)(C)C ZINC001253740861 969358952 /nfs/dbraw/zinc/35/89/52/969358952.db2.gz LLVHNTXXFKQNJT-CYBMUJFWSA-N 1 3 244.423 2.105 20 0 BEADHO CCCC[N@@H+](C)CCCNC[C@@H](O)C(C)(C)C ZINC001253740861 969358958 /nfs/dbraw/zinc/35/89/58/969358958.db2.gz LLVHNTXXFKQNJT-CYBMUJFWSA-N 1 3 244.423 2.105 20 0 BEADHO CCCCN(C)CCC[NH2+]C[C@@H](O)C(C)(C)C ZINC001253740861 969358962 /nfs/dbraw/zinc/35/89/62/969358962.db2.gz LLVHNTXXFKQNJT-CYBMUJFWSA-N 1 3 244.423 2.105 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccsc1)C2 ZINC001169082462 969403504 /nfs/dbraw/zinc/40/35/04/969403504.db2.gz ZQCWTDUNWNSGFL-CLLJXQQHSA-N 1 3 236.384 2.463 20 0 BEADHO Cc1cnccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169080973 969405564 /nfs/dbraw/zinc/40/55/64/969405564.db2.gz OGFNMMTTXFMGHN-QKDCVEJESA-N 1 3 245.370 2.105 20 0 BEADHO [NH3+]C1(CC2CC2)CCN([C@H]2CCSC2)CC1 ZINC001255276810 970030006 /nfs/dbraw/zinc/03/00/06/970030006.db2.gz YZFOVELGXKXBKZ-LBPRGKRZSA-N 1 3 240.416 2.085 20 0 BEADHO C[NH2+]Cc1cccc(Nc2cnc(C)n2C)c1 ZINC001211137993 970159472 /nfs/dbraw/zinc/15/94/72/970159472.db2.gz HJQLCIRBMAUGAY-UHFFFAOYSA-N 1 3 230.315 2.192 20 0 BEADHO CC(C)[N@H+](CCCN)[C@H]1CCOC(C)(C)C1 ZINC001255527347 970289115 /nfs/dbraw/zinc/28/91/15/970289115.db2.gz KDKGTXUYXAOMKR-LBPRGKRZSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@H]1CCOC(C)(C)C1 ZINC001255527347 970289139 /nfs/dbraw/zinc/28/91/39/970289139.db2.gz KDKGTXUYXAOMKR-LBPRGKRZSA-N 1 3 228.380 2.003 20 0 BEADHO C[C@H](CC(F)(F)F)[NH2+]C(C)(C)C(C)(C)N ZINC001255639359 970411418 /nfs/dbraw/zinc/41/14/18/970411418.db2.gz KKGAVJFXBZBZEH-SSDOTTSWSA-N 1 3 226.286 2.433 20 0 BEADHO Cc1ccc(C[C@H](C)NC2CC([NH3+])C2)cc1 ZINC001255780816 970481782 /nfs/dbraw/zinc/48/17/82/970481782.db2.gz RTZDSBHICNGBKI-XGNXJENSSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001255780816 970481792 /nfs/dbraw/zinc/48/17/92/970481792.db2.gz RTZDSBHICNGBKI-XGNXJENSSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](C)CN)cc1 ZINC001255779298 970484005 /nfs/dbraw/zinc/48/40/05/970484005.db2.gz AJKQLQDAHTULCW-UONOGXRCSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](C)CN)cc1 ZINC001255779298 970484009 /nfs/dbraw/zinc/48/40/09/970484009.db2.gz AJKQLQDAHTULCW-UONOGXRCSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@@H](C)N(C)C[C@@H](C)C[NH3+])cc1 ZINC001255779298 970484019 /nfs/dbraw/zinc/48/40/19/970484019.db2.gz AJKQLQDAHTULCW-UONOGXRCSA-N 1 3 234.387 2.453 20 0 BEADHO NC[C@@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400131573 970550902 /nfs/dbraw/zinc/55/09/02/970550902.db2.gz VGFZHIKAIFMQNU-YIOUJQMASA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400131573 970550914 /nfs/dbraw/zinc/55/09/14/970550914.db2.gz VGFZHIKAIFMQNU-YIOUJQMASA-N 1 3 222.376 2.093 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138103 970557478 /nfs/dbraw/zinc/55/74/78/970557478.db2.gz YUCYAQHPUGPFSG-CLRIEMFWSA-N 1 3 222.376 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400138103 970557488 /nfs/dbraw/zinc/55/74/88/970557488.db2.gz YUCYAQHPUGPFSG-CLRIEMFWSA-N 1 3 222.376 2.106 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCCC1=O ZINC001255948337 970566527 /nfs/dbraw/zinc/56/65/27/970566527.db2.gz JWYGIZMCIWPBEA-QWHCGFSZSA-N 1 3 240.391 2.208 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCOCC1 ZINC001255940576 970568387 /nfs/dbraw/zinc/56/83/87/970568387.db2.gz DQOQJCBYLMGWFL-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC001255941236 970570871 /nfs/dbraw/zinc/57/08/71/970570871.db2.gz LVQCPMBKVXEUMO-CYBMUJFWSA-N 1 3 242.407 2.002 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCC1(O)CCCC1 ZINC001255941236 970570884 /nfs/dbraw/zinc/57/08/84/970570884.db2.gz LVQCPMBKVXEUMO-CYBMUJFWSA-N 1 3 242.407 2.002 20 0 BEADHO CC[NH+](CC)CC[C@H](C)n1ccnc1[C@@H](C)N ZINC001255940627 970571015 /nfs/dbraw/zinc/57/10/15/970571015.db2.gz FDPYJEAWEMCGBA-NWDGAFQWSA-N 1 3 238.379 2.196 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](COC)C(C)C ZINC001255941600 970573674 /nfs/dbraw/zinc/57/36/74/970573674.db2.gz UQMAQIOLWDIDAG-UONOGXRCSA-N 1 3 244.423 2.367 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CSC1 ZINC001255942633 970578346 /nfs/dbraw/zinc/57/83/46/970578346.db2.gz GZVOUQASOUBSFA-NSHDSACASA-N 1 3 230.421 2.059 20 0 BEADHO CCCN(CCOC)[C@@H](C)CC[NH+](CC)CC ZINC001255954235 970587109 /nfs/dbraw/zinc/58/71/09/970587109.db2.gz BISFIUMNUDHUMG-AWEZNQCLSA-N 1 3 244.423 2.465 20 0 BEADHO CCC[N@H+](CCOC)[C@@H](C)CCN(CC)CC ZINC001255954235 970587115 /nfs/dbraw/zinc/58/71/15/970587115.db2.gz BISFIUMNUDHUMG-AWEZNQCLSA-N 1 3 244.423 2.465 20 0 BEADHO CCC[N@@H+](CCOC)[C@@H](C)CCN(CC)CC ZINC001255954235 970587126 /nfs/dbraw/zinc/58/71/26/970587126.db2.gz BISFIUMNUDHUMG-AWEZNQCLSA-N 1 3 244.423 2.465 20 0 BEADHO C[NH+]1CCC(N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001256196847 970687413 /nfs/dbraw/zinc/68/74/13/970687413.db2.gz ZAWYUBAULPLVQT-OAHLLOKOSA-N 1 3 248.345 2.497 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H]2CO[C@@H](C)C2)CC1 ZINC000401965168 970756490 /nfs/dbraw/zinc/75/64/90/970756490.db2.gz DGXWBQAENHEHDK-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCC[C@@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546062 972661805 /nfs/dbraw/zinc/66/18/05/972661805.db2.gz MOGGUVIZJRYFCC-XQQFMLRXSA-N 1 3 228.380 2.002 20 0 BEADHO C[C@@H](CC1CC1)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246560413 972791896 /nfs/dbraw/zinc/79/18/96/972791896.db2.gz ULPMPFLRVLILIC-ONGXEEELSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H](Cc1cccnc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246578819 972905594 /nfs/dbraw/zinc/90/55/94/972905594.db2.gz AABVNKHNDCWUBV-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246578819 972905597 /nfs/dbraw/zinc/90/55/97/972905597.db2.gz AABVNKHNDCWUBV-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1cccnc1)N1CCCC[C@H](C[NH3+])C1 ZINC001246578819 972905605 /nfs/dbraw/zinc/90/56/05/972905605.db2.gz AABVNKHNDCWUBV-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[NH2+]CC1CN([C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001246594802 973009104 /nfs/dbraw/zinc/00/91/04/973009104.db2.gz FGMMXBHXCDJCLU-WCQYABFASA-N 1 3 224.392 2.352 20 0 BEADHO CC1(C)CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246637724 973053176 /nfs/dbraw/zinc/05/31/76/973053176.db2.gz IYGNCBYAKHJNOZ-CHWSQXEVSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654522 973070682 /nfs/dbraw/zinc/07/06/82/973070682.db2.gz ICSDDTWLEVWPPT-USZNOCQGSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654522 973070701 /nfs/dbraw/zinc/07/07/01/973070701.db2.gz ICSDDTWLEVWPPT-USZNOCQGSA-N 1 3 244.329 2.104 20 0 BEADHO COCC[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246781016 973087423 /nfs/dbraw/zinc/08/74/23/973087423.db2.gz DBLNNVGKJGDULP-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246781016 973087428 /nfs/dbraw/zinc/08/74/28/973087428.db2.gz DBLNNVGKJGDULP-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO c1cc2c[nH]cc(NC[C@@H]3CCCC[NH2+]3)c-2n1 ZINC001171334333 973863868 /nfs/dbraw/zinc/86/38/68/973863868.db2.gz LLZSFOIDHMDPRL-NSHDSACASA-N 1 3 230.315 2.117 20 0 BEADHO c1cc2cncc(NC[C@@H]3CCCC[NH2+]3)c2[nH]1 ZINC001171334333 973863871 /nfs/dbraw/zinc/86/38/71/973863871.db2.gz LLZSFOIDHMDPRL-NSHDSACASA-N 1 3 230.315 2.117 20 0 BEADHO COC[C@@H](C)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617455 974114418 /nfs/dbraw/zinc/11/44/18/974114418.db2.gz LLHXAYSIWZYBQF-LLVKDONJSA-N 1 3 242.407 2.262 20 0 BEADHO COC[C@@H](C)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171617455 974114424 /nfs/dbraw/zinc/11/44/24/974114424.db2.gz LLHXAYSIWZYBQF-LLVKDONJSA-N 1 3 242.407 2.262 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001171663428 974123569 /nfs/dbraw/zinc/12/35/69/974123569.db2.gz LEITZCBWTNHUGP-LRVUVFPRSA-N 1 3 232.371 2.395 20 0 BEADHO Cc1ccc(CC[C@@H](C)NC2CC([NH3+])C2)cc1 ZINC001171663428 974123582 /nfs/dbraw/zinc/12/35/82/974123582.db2.gz LEITZCBWTNHUGP-LRVUVFPRSA-N 1 3 232.371 2.395 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(C)(C)C1)C2 ZINC001172109155 974376944 /nfs/dbraw/zinc/37/69/44/974376944.db2.gz BUHCPGLHDBTZED-CLLJXQQHSA-N 1 3 222.376 2.344 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(C)(C)C1)C2 ZINC001172109155 974376958 /nfs/dbraw/zinc/37/69/58/974376958.db2.gz BUHCPGLHDBTZED-CLLJXQQHSA-N 1 3 222.376 2.344 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)CCOC(C)C ZINC001172432852 974720275 /nfs/dbraw/zinc/72/02/75/974720275.db2.gz CYAXMEHWCKTZOY-CYBMUJFWSA-N 1 3 230.396 2.251 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)CCOC(C)C ZINC001172432852 974720278 /nfs/dbraw/zinc/72/02/78/974720278.db2.gz CYAXMEHWCKTZOY-CYBMUJFWSA-N 1 3 230.396 2.251 20 0 BEADHO CC(C)(C[NH3+])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708486 974925317 /nfs/dbraw/zinc/92/53/17/974925317.db2.gz HBSYYKWUZUKCIK-LBPRGKRZSA-N 1 3 238.762 2.134 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CCO1 ZINC001173170132 975063307 /nfs/dbraw/zinc/06/33/07/975063307.db2.gz JWTVQZNMMYOURA-FQUUOJAGSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001332991555 975360012 /nfs/dbraw/zinc/36/00/12/975360012.db2.gz QUGQJBCVFMVUPI-AAEUAGOBSA-N 1 3 210.365 2.201 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001332991555 975360016 /nfs/dbraw/zinc/36/00/16/975360016.db2.gz QUGQJBCVFMVUPI-AAEUAGOBSA-N 1 3 210.365 2.201 20 0 BEADHO Nc1[nH+]c2ccccc2n1-c1ccc2nccn2c1 ZINC001174275996 976507933 /nfs/dbraw/zinc/50/79/33/976507933.db2.gz NJOCXEVWGVMSBQ-UHFFFAOYSA-N 1 3 249.277 2.255 20 0 BEADHO C[C@H](C[NH+](C)C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936125 976592271 /nfs/dbraw/zinc/59/22/71/976592271.db2.gz BXNZKJMMKWLUTO-GFCCVEGCSA-N 1 3 248.370 2.003 20 0 BEADHO Cc1cc(N(C)c2cc(N)cc[nH+]2)ccn1 ZINC001174654628 976945436 /nfs/dbraw/zinc/94/54/36/976945436.db2.gz HRBUTRMNMXRWLB-UHFFFAOYSA-N 1 3 214.272 2.135 20 0 BEADHO CN(C)Cc1ccccc1OC1CC[NH+](C)CC1 ZINC001229699001 976946972 /nfs/dbraw/zinc/94/69/72/976946972.db2.gz JFRAPBDOOTTYMD-UHFFFAOYSA-N 1 3 248.370 2.221 20 0 BEADHO c1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC001336398633 977660132 /nfs/dbraw/zinc/66/01/32/977660132.db2.gz DFQKPXMMELMTBW-CQSZACIVSA-N 1 3 245.370 2.322 20 0 BEADHO c1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC001336398633 977660140 /nfs/dbraw/zinc/66/01/40/977660140.db2.gz DFQKPXMMELMTBW-CQSZACIVSA-N 1 3 245.370 2.322 20 0 BEADHO Cn1ccnc1Nc1ccc(C[NH+](C)C)cc1 ZINC001176287747 978011365 /nfs/dbraw/zinc/01/13/65/978011365.db2.gz VGNUVKSSCINDMO-UHFFFAOYSA-N 1 3 230.315 2.225 20 0 BEADHO Cc1cc(C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000721838720 978051154 /nfs/dbraw/zinc/05/11/54/978051154.db2.gz STPZQWDJVDQFNI-NWDGAFQWSA-N 1 3 219.332 2.380 20 0 BEADHO CC(C)[C@H](CNc1ccncc1)[NH+]1CCCC1 ZINC001336917100 978053328 /nfs/dbraw/zinc/05/33/28/978053328.db2.gz ZRGMFZDOPFPVKK-AWEZNQCLSA-N 1 3 233.359 2.036 20 0 BEADHO CN(C)CCC[N@H+](C)Cc1cccc2c1CCO2 ZINC001233273910 978526169 /nfs/dbraw/zinc/52/61/69/978526169.db2.gz XAJLMAYJQSHKNR-UHFFFAOYSA-N 1 3 248.370 2.005 20 0 BEADHO CN(C)CCC[N@@H+](C)Cc1cccc2c1CCO2 ZINC001233273910 978526172 /nfs/dbraw/zinc/52/61/72/978526172.db2.gz XAJLMAYJQSHKNR-UHFFFAOYSA-N 1 3 248.370 2.005 20 0 BEADHO [NH3+][C@@H]1[C@H]2CN(CCCC3CCCCC3)C[C@H]21 ZINC001235210619 979000637 /nfs/dbraw/zinc/00/06/37/979000637.db2.gz OTBBWLWHFCUHBY-WDNDVIMCSA-N 1 3 222.376 2.236 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3CNCC[C@@H]32)CC1 ZINC001235256768 979009162 /nfs/dbraw/zinc/00/91/62/979009162.db2.gz GQMUBVNKTKODFG-AJNGGQMLSA-N 1 3 234.387 2.273 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CNCC[C@@H]32)CC1 ZINC001235256768 979009172 /nfs/dbraw/zinc/00/91/72/979009172.db2.gz GQMUBVNKTKODFG-AJNGGQMLSA-N 1 3 234.387 2.273 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3CNCC[C@H]32)CC1 ZINC001235256776 979009506 /nfs/dbraw/zinc/00/95/06/979009506.db2.gz GQMUBVNKTKODFG-ZQDZILKHSA-N 1 3 234.387 2.273 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CNCC[C@H]32)CC1 ZINC001235256776 979009511 /nfs/dbraw/zinc/00/95/11/979009511.db2.gz GQMUBVNKTKODFG-ZQDZILKHSA-N 1 3 234.387 2.273 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989217 979271121 /nfs/dbraw/zinc/27/11/21/979271121.db2.gz IJGGFZYPSNIDHV-GDBMZVCRSA-N 1 3 242.366 2.487 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989217 979271145 /nfs/dbraw/zinc/27/11/45/979271145.db2.gz IJGGFZYPSNIDHV-GDBMZVCRSA-N 1 3 242.366 2.487 20 0 BEADHO CNc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2N)cc1 ZINC001236218337 979453763 /nfs/dbraw/zinc/45/37/63/979453763.db2.gz SDEVTIORHRFACZ-GJZGRUSLSA-N 1 3 247.386 2.430 20 0 BEADHO CNc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)cc1 ZINC001236218337 979453770 /nfs/dbraw/zinc/45/37/70/979453770.db2.gz SDEVTIORHRFACZ-GJZGRUSLSA-N 1 3 247.386 2.430 20 0 BEADHO CCCC[C@@H](CC)CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412466 979588589 /nfs/dbraw/zinc/58/85/89/979588589.db2.gz VEVXZWGZCWMPAK-MQYQWHSLSA-N 1 3 224.392 2.352 20 0 BEADHO CNc1ccccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205280682 979874746 /nfs/dbraw/zinc/87/47/46/979874746.db2.gz FUNIIQSFSPIKRP-OAHLLOKOSA-N 1 3 247.386 2.432 20 0 BEADHO C1=CC[C@H](C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001184135744 979945364 /nfs/dbraw/zinc/94/53/64/979945364.db2.gz VPMJAMFFALEXTC-ZFWWWQNUSA-N 1 3 234.387 2.274 20 0 BEADHO C1=CC[C@H](C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001184135741 979947870 /nfs/dbraw/zinc/94/78/70/979947870.db2.gz VPMJAMFFALEXTC-DZGCQCFKSA-N 1 3 234.387 2.274 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184386310 980058740 /nfs/dbraw/zinc/05/87/40/980058740.db2.gz BRKGZNJAWKPDFQ-PDWCTOEPSA-N 1 3 224.392 2.351 20 0 BEADHO CCN1C[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@@H]2C1 ZINC001203713847 980857041 /nfs/dbraw/zinc/85/70/41/980857041.db2.gz YFCDRRSQPSCLRQ-IYBDPMFKSA-N 1 3 244.382 2.379 20 0 BEADHO CCN1C[C@@H]2C[N@H+](Cc3ccccc3C)C[C@@H]2C1 ZINC001203713847 980857043 /nfs/dbraw/zinc/85/70/43/980857043.db2.gz YFCDRRSQPSCLRQ-IYBDPMFKSA-N 1 3 244.382 2.379 20 0 BEADHO C[C@H]([NH3+])c1cccc(C2=CCN(C)CC2)c1 ZINC001241330519 982491135 /nfs/dbraw/zinc/49/11/35/982491135.db2.gz UVPYQNMTBBZXBH-NSHDSACASA-N 1 3 216.328 2.425 20 0 BEADHO C[C@H]([NH3+])c1ccccc1C1=CCCN(C)C1 ZINC001241570551 982823337 /nfs/dbraw/zinc/82/33/37/982823337.db2.gz KJMKBCZWEZKFQO-NSHDSACASA-N 1 3 216.328 2.425 20 0 BEADHO CCN1C[C@@H](C)N(c2cc[nH+]cc2)C[C@@H]1C ZINC001354019629 983118306 /nfs/dbraw/zinc/11/83/06/983118306.db2.gz UBOVYSZGSRIGEY-NWDGAFQWSA-N 1 3 219.332 2.001 20 0 BEADHO CCCN1C[C@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001201630297 983359716 /nfs/dbraw/zinc/35/97/16/983359716.db2.gz OUUSKBSFLUOSCE-KBPBESRZSA-N 1 3 224.392 2.306 20 0 BEADHO CN1CC2(C1)CC[NH+](CCc1ccccc1)CC2 ZINC001201606330 983375355 /nfs/dbraw/zinc/37/53/55/983375355.db2.gz YGCQZAUILMGZOK-UHFFFAOYSA-N 1 3 244.382 2.257 20 0 BEADHO CCC[NH+]1C[C@@H]2CN(CCCSC)C[C@H]2C1 ZINC001201697879 983412923 /nfs/dbraw/zinc/41/29/23/983412923.db2.gz RYEJOWLTQPRQJM-CHWSQXEVSA-N 1 3 242.432 2.013 20 0 BEADHO C1=C(c2cncc(CN3CCCCC3)c2)C[NH2+]C1 ZINC001243111629 984575177 /nfs/dbraw/zinc/57/51/77/984575177.db2.gz UAWKJJSPSZECLJ-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000691886678 984893390 /nfs/dbraw/zinc/89/33/90/984893390.db2.gz UJEPBHHWDANPAU-HTAVTVPLSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@H](C)N1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001257432890 985007261 /nfs/dbraw/zinc/00/72/61/985007261.db2.gz ASMDFFOAGNSUGI-ZDUSSCGKSA-N 1 3 247.386 2.216 20 0 BEADHO CC1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCC1 ZINC000685990073 985027968 /nfs/dbraw/zinc/02/79/68/985027968.db2.gz WRGPHZCAQDRCLU-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO CC1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCC1 ZINC000685990073 985027983 /nfs/dbraw/zinc/02/79/83/985027983.db2.gz WRGPHZCAQDRCLU-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO c1c(C[NH2+]C2CCCC2)sc2c1CNCC2 ZINC000688039534 985508507 /nfs/dbraw/zinc/50/85/07/985508507.db2.gz TZRHYPVEEACHAC-UHFFFAOYSA-N 1 3 236.384 2.426 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001578960532 985579288 /nfs/dbraw/zinc/57/92/88/985579288.db2.gz JJXRHMYIUFZZHL-UPJWGTAASA-N 1 3 242.407 2.168 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001578960532 985579296 /nfs/dbraw/zinc/57/92/96/985579296.db2.gz JJXRHMYIUFZZHL-UPJWGTAASA-N 1 3 242.407 2.168 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001578960530 985580548 /nfs/dbraw/zinc/58/05/48/985580548.db2.gz JJXRHMYIUFZZHL-AGIUHOORSA-N 1 3 242.407 2.168 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001578960530 985580570 /nfs/dbraw/zinc/58/05/70/985580570.db2.gz JJXRHMYIUFZZHL-AGIUHOORSA-N 1 3 242.407 2.168 20 0 BEADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCN2)cc1 ZINC001579192717 985820166 /nfs/dbraw/zinc/82/01/66/985820166.db2.gz HLRVHCRVJHMDNG-BZPMIXESSA-N 1 3 248.370 2.139 20 0 BEADHO NC[C@H]1CCCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606787 985938493 /nfs/dbraw/zinc/93/84/93/985938493.db2.gz SKGZWBPAJLSXAK-YJNKXOJESA-N 1 3 234.387 2.259 20 0 BEADHO NC[C@H]1CCCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606787 985938512 /nfs/dbraw/zinc/93/85/12/985938512.db2.gz SKGZWBPAJLSXAK-YJNKXOJESA-N 1 3 234.387 2.259 20 0 BEADHO Cc1ccc(C2(CNC3CC([NH3+])C3)CC2)c(C)c1 ZINC001579678479 986173422 /nfs/dbraw/zinc/17/34/22/986173422.db2.gz UCTRAUMBOYTNAV-UHFFFAOYSA-N 1 3 244.382 2.414 20 0 BEADHO Cn1cccc1[C@H]1CCCN1CC(C)(C)C[NH3+] ZINC001579974621 986377019 /nfs/dbraw/zinc/37/70/19/986377019.db2.gz PMAXNBGIMZGSIO-CYBMUJFWSA-N 1 3 235.375 2.147 20 0 BEADHO F[C@@]1(c2ccccc2)C[C@H]1NCC1CC[NH2+]CC1 ZINC001580026277 986422559 /nfs/dbraw/zinc/42/25/59/986422559.db2.gz BJEWLFCTGLFALQ-HUUCEWRRSA-N 1 3 248.345 2.213 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC001580258259 986714203 /nfs/dbraw/zinc/71/42/03/986714203.db2.gz LGXPSWIIKGJBMB-UQOMUDLDSA-N 1 3 248.345 2.341 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccn1C1CC1 ZINC001580262194 986718126 /nfs/dbraw/zinc/71/81/26/986718126.db2.gz QJSJNSUNWJUCON-DOMZBBRYSA-N 1 3 247.386 2.430 20 0 BEADHO C[C@@H](CC(F)(F)F)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001255639061 987037548 /nfs/dbraw/zinc/03/75/48/987037548.db2.gz HHWRWHNIUYVHAH-CIUDSAMLSA-N 1 3 224.270 2.187 20 0 BEADHO CC1CC([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000693752623 987315483 /nfs/dbraw/zinc/31/54/83/987315483.db2.gz ANDINMXUFFHFEZ-UDSBESMDSA-N 1 3 222.376 2.151 20 0 BEADHO CCC(C)(C)[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000695155663 987334114 /nfs/dbraw/zinc/33/41/14/987334114.db2.gz ZMEUBRDOPVCUAK-VZKILSJISA-N 1 3 236.403 2.397 20 0 BEADHO CCC(C)(C)[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000695155658 987334978 /nfs/dbraw/zinc/33/49/78/987334978.db2.gz ZMEUBRDOPVCUAK-SNIKSBKOSA-N 1 3 236.403 2.397 20 0 BEADHO CC1(C)CC([NH2+]C2CCNCC2)CC(C)(C)O1 ZINC001246076993 987369900 /nfs/dbraw/zinc/36/99/00/987369900.db2.gz FRVZDIIVEWMCSP-UHFFFAOYSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246104958 987431744 /nfs/dbraw/zinc/43/17/44/987431744.db2.gz KZAGOGYIDFBJGB-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)CCN1 ZINC001246112321 987446869 /nfs/dbraw/zinc/44/68/69/987446869.db2.gz QYZKCQZUIRYGQH-MXWKQRLJSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H]1CNC[C@@H]1[NH2+]C1CCCCCCC1 ZINC001246110615 987447081 /nfs/dbraw/zinc/44/70/81/987447081.db2.gz TUHHJDUKMNMTKT-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CN(C)[C@@H](CNc1cc[nH+]cc1)c1cccs1 ZINC001116177454 987460396 /nfs/dbraw/zinc/46/03/96/987460396.db2.gz JJXMAJHTQKMPLL-LBPRGKRZSA-N 1 3 247.367 2.280 20 0 BEADHO CCCCC[C@@H](CC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246133006 987487305 /nfs/dbraw/zinc/48/73/05/987487305.db2.gz HJRPPYGSWWLJNJ-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC(C)(C)C1 ZINC001246145932 987505010 /nfs/dbraw/zinc/50/50/10/987505010.db2.gz GFYFXSDTJBDMMA-ODXJTPSBSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246145791 987505077 /nfs/dbraw/zinc/50/50/77/987505077.db2.gz DYSQMZKCTMJWLT-MQYQWHSLSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCN[C@@H](C)C2)s1 ZINC001246167107 987527256 /nfs/dbraw/zinc/52/72/56/987527256.db2.gz CQPHSZFBPKWITB-CMPLNLGQSA-N 1 3 238.400 2.329 20 0 BEADHO C(CC1CCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC001246179026 987546627 /nfs/dbraw/zinc/54/66/27/987546627.db2.gz YUILCPZZELWISP-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO CC(C)C1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001246191625 987577458 /nfs/dbraw/zinc/57/74/58/987577458.db2.gz WTCWKBFHLHNFJS-JSTMSRMQSA-N 1 3 210.365 2.281 20 0 BEADHO Cc1cccc2c1CC[C@H]([NH2+]CC(C)(C)CN)C2 ZINC001246253558 987652002 /nfs/dbraw/zinc/65/20/02/987652002.db2.gz ZQBNUQASPTUZLH-AWEZNQCLSA-N 1 3 246.398 2.427 20 0 BEADHO CCC1([NH2+]C2CCNCC2)CCCCC1 ZINC001246258494 987654804 /nfs/dbraw/zinc/65/48/04/987654804.db2.gz XAHAIQNGEWSOCP-UHFFFAOYSA-N 1 3 210.365 2.441 20 0 BEADHO c1ccc(CCCCN[C@H]2CCC[NH2+]C2)cc1 ZINC001246338100 987742279 /nfs/dbraw/zinc/74/22/79/987742279.db2.gz AALRNXNUUPOTDA-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246333957 987742478 /nfs/dbraw/zinc/74/24/78/987742478.db2.gz SQSCZDJTWXXKFS-WUHRBBMRSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246333958 987742980 /nfs/dbraw/zinc/74/29/80/987742980.db2.gz SQSCZDJTWXXKFS-ZDEQEGDKSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246344728 987752398 /nfs/dbraw/zinc/75/23/98/987752398.db2.gz COOIRAMZKGZUFT-YRGRVCCFSA-N 1 3 248.370 2.053 20 0 BEADHO Cc1ccnc(C(C)(C)CNC2CC[NH2+]CC2)c1 ZINC001246393365 987778444 /nfs/dbraw/zinc/77/84/44/987778444.db2.gz XEOXPGKZZHGTCC-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO Cc1ccnc(C(C)(C)C[NH2+]C2CCNCC2)c1 ZINC001246393365 987778452 /nfs/dbraw/zinc/77/84/52/987778452.db2.gz XEOXPGKZZHGTCC-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C(C)(C)CC2CC2)CCN1 ZINC001246396454 987782877 /nfs/dbraw/zinc/78/28/77/987782877.db2.gz ZQABMZRUPMOBFC-ZYHUDNBSSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)(CC1CCC1)[NH2+]C1CCNCC1 ZINC001246406295 987789163 /nfs/dbraw/zinc/78/91/63/987789163.db2.gz MADIECBBZJJANO-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CC[C@H](NCC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429661 987795498 /nfs/dbraw/zinc/79/54/98/987795498.db2.gz CGQMDKXYECRAEE-AAEUAGOBSA-N 1 3 222.376 2.297 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC23CNC3)C1 ZINC001246445119 987802247 /nfs/dbraw/zinc/80/22/47/987802247.db2.gz MMLNMXZDVUMQPS-BBBLOLIVSA-N 1 3 248.292 2.059 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@@H](N[C@H]2CC23C[NH2+]C3)C1 ZINC001246445119 987802251 /nfs/dbraw/zinc/80/22/51/987802251.db2.gz MMLNMXZDVUMQPS-BBBLOLIVSA-N 1 3 248.292 2.059 20 0 BEADHO CCCC[C@H](CCC)[NH2+][C@H]1CC12CNC2 ZINC001246444278 987803636 /nfs/dbraw/zinc/80/36/36/987803636.db2.gz JUZZDLDQXSYVRS-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446762 987806764 /nfs/dbraw/zinc/80/67/64/987806764.db2.gz TYQVJQLOHIKWML-AVGNSLFASA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446762 987806766 /nfs/dbraw/zinc/80/67/66/987806766.db2.gz TYQVJQLOHIKWML-AVGNSLFASA-N 1 3 224.392 2.399 20 0 BEADHO CCC[C@@]1(CN[C@H]2CC[C@H](C)C2)CC[NH2+]1 ZINC001246455677 987812219 /nfs/dbraw/zinc/81/22/19/987812219.db2.gz IZPLLNVFEAYKCO-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246493606 987846806 /nfs/dbraw/zinc/84/68/06/987846806.db2.gz ILPDFIFQCOYMSG-KKOKHZNYSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001246496629 987850167 /nfs/dbraw/zinc/85/01/67/987850167.db2.gz PEMDERSRFFMBNC-CKIKVBCHSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001246494790 987850985 /nfs/dbraw/zinc/85/09/85/987850985.db2.gz HTBLJIUNSHFWBL-CXYFJQCHSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@](C)(N)C1)CC2 ZINC001246527564 987881163 /nfs/dbraw/zinc/88/11/63/987881163.db2.gz GPYCKBPCBJSAMG-CVEARBPZSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@](C)(N)C1)CC2 ZINC001246527564 987881168 /nfs/dbraw/zinc/88/11/68/987881168.db2.gz GPYCKBPCBJSAMG-CVEARBPZSA-N 1 3 244.382 2.275 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)C[C@H]1CN ZINC001246541668 987913183 /nfs/dbraw/zinc/91/31/83/987913183.db2.gz MNKURBWAUIAWSS-MBJXGIAVSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)C[C@H]1CN ZINC001246541668 987913192 /nfs/dbraw/zinc/91/31/92/987913192.db2.gz MNKURBWAUIAWSS-MBJXGIAVSA-N 1 3 224.392 2.338 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542979 987913716 /nfs/dbraw/zinc/91/37/16/987913716.db2.gz QOQCBHPDWUPNRH-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542979 987913721 /nfs/dbraw/zinc/91/37/21/987913721.db2.gz QOQCBHPDWUPNRH-YNEHKIRRSA-N 1 3 212.381 2.338 20 0 BEADHO CCCOC1CCC(N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001246545434 987917625 /nfs/dbraw/zinc/91/76/25/987917625.db2.gz VZEDAVJZNBBQSF-BLYZHGLHSA-N 1 3 240.391 2.146 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246550080 987947788 /nfs/dbraw/zinc/94/77/88/987947788.db2.gz NTXQLGYJPFIGHS-MISXGVKJSA-N 1 3 236.334 2.178 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246550080 987947796 /nfs/dbraw/zinc/94/77/96/987947796.db2.gz NTXQLGYJPFIGHS-MISXGVKJSA-N 1 3 236.334 2.178 20 0 BEADHO CC(C)OC1CCC(N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246561259 987997503 /nfs/dbraw/zinc/99/75/03/987997503.db2.gz JRWGNHGGKVNFFQ-BLYZHGLHSA-N 1 3 240.391 2.002 20 0 BEADHO CC1([NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC001118118922 988022426 /nfs/dbraw/zinc/02/24/26/988022426.db2.gz KQDNVEDJDQBJML-RYUDHWBXSA-N 1 3 202.301 2.273 20 0 BEADHO CCCOC1CCC(N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001246566645 988025397 /nfs/dbraw/zinc/02/53/97/988025397.db2.gz IGKFGQCARLDCHY-BLYZHGLHSA-N 1 3 240.391 2.003 20 0 BEADHO CNCC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001246572967 988070866 /nfs/dbraw/zinc/07/08/66/988070866.db2.gz LNHDZFKQQNZENQ-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO CNCC[C@H](C)[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001246572967 988070883 /nfs/dbraw/zinc/07/08/83/988070883.db2.gz LNHDZFKQQNZENQ-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO CCCCCC[C@H](CC)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573690 988073027 /nfs/dbraw/zinc/07/30/27/988073027.db2.gz ZBXNORFYAXWRAS-BFHYXJOUSA-N 1 3 242.407 2.129 20 0 BEADHO CCCCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573690 988073043 /nfs/dbraw/zinc/07/30/43/988073043.db2.gz ZBXNORFYAXWRAS-BFHYXJOUSA-N 1 3 242.407 2.129 20 0 BEADHO C[C@@H](Cc1ccncc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246590582 988165160 /nfs/dbraw/zinc/16/51/60/988165160.db2.gz HHTRHMIAFNEUCN-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccncc1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246590582 988165177 /nfs/dbraw/zinc/16/51/77/988165177.db2.gz HHTRHMIAFNEUCN-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1ccncc1)N1CCCC[C@H](C[NH3+])C1 ZINC001246590582 988165185 /nfs/dbraw/zinc/16/51/85/988165185.db2.gz HHTRHMIAFNEUCN-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO CSCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246609749 988238103 /nfs/dbraw/zinc/23/81/03/988238103.db2.gz NAGCSMWTWLXONL-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CSCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246609749 988238124 /nfs/dbraw/zinc/23/81/24/988238124.db2.gz NAGCSMWTWLXONL-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@H]1C ZINC001246617540 988252893 /nfs/dbraw/zinc/25/28/93/988252893.db2.gz DBILPCBQUSZUSJ-UXXRCYHCSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@H]1C ZINC001246617540 988252916 /nfs/dbraw/zinc/25/29/16/988252916.db2.gz DBILPCBQUSZUSJ-UXXRCYHCSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629654 988310246 /nfs/dbraw/zinc/31/02/46/988310246.db2.gz FQPZPGIEUVFHPP-MROQNXINSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629654 988310259 /nfs/dbraw/zinc/31/02/59/988310259.db2.gz FQPZPGIEUVFHPP-MROQNXINSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629659 988310689 /nfs/dbraw/zinc/31/06/89/988310689.db2.gz FQPZPGIEUVFHPP-ZDEQEGDKSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1CCC[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629659 988310704 /nfs/dbraw/zinc/31/07/04/988310704.db2.gz FQPZPGIEUVFHPP-ZDEQEGDKSA-N 1 3 208.349 2.001 20 0 BEADHO C1CC12CCC(N1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246633014 988315164 /nfs/dbraw/zinc/31/51/64/988315164.db2.gz IZPAGBIJMMMLMM-QWHCGFSZSA-N 1 3 220.360 2.145 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636636 988328207 /nfs/dbraw/zinc/32/82/07/988328207.db2.gz DFAIOMYZQYYYNN-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636636 988328221 /nfs/dbraw/zinc/32/82/21/988328221.db2.gz DFAIOMYZQYYYNN-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO CC(C)C1CCC(N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246647317 988363973 /nfs/dbraw/zinc/36/39/73/988363973.db2.gz RTOCSCHNLSIEBI-OOJKYFRXSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246647142 988364691 /nfs/dbraw/zinc/36/46/91/988364691.db2.gz ZEYVORMFGNMNBC-IKOXMDCHSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H]1C ZINC001246647142 988364704 /nfs/dbraw/zinc/36/47/04/988364704.db2.gz ZEYVORMFGNMNBC-IKOXMDCHSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@@H]1C ZINC001246647142 988364719 /nfs/dbraw/zinc/36/47/19/988364719.db2.gz ZEYVORMFGNMNBC-IKOXMDCHSA-N 1 3 222.376 2.247 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653854 988379849 /nfs/dbraw/zinc/37/98/49/988379849.db2.gz AOGLKUOMMWXMKW-CAOSSQGBSA-N 1 3 244.382 2.287 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653854 988379861 /nfs/dbraw/zinc/37/98/61/988379861.db2.gz AOGLKUOMMWXMKW-CAOSSQGBSA-N 1 3 244.382 2.287 20 0 BEADHO CCCC1CCC([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001246659111 988384104 /nfs/dbraw/zinc/38/41/04/988384104.db2.gz RBIBDJYQZYOJOD-TWASESMYSA-N 1 3 222.376 2.234 20 0 BEADHO CCCC1CCC([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001246659111 988384116 /nfs/dbraw/zinc/38/41/16/988384116.db2.gz RBIBDJYQZYOJOD-TWASESMYSA-N 1 3 222.376 2.234 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CCC[C@H]3C2)CN1 ZINC001246655752 988387450 /nfs/dbraw/zinc/38/74/50/988387450.db2.gz KPWDWZPXUFMISZ-MQYQWHSLSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CCC[C@H]3C2)CN1 ZINC001246655752 988387465 /nfs/dbraw/zinc/38/74/65/988387465.db2.gz KPWDWZPXUFMISZ-MQYQWHSLSA-N 1 3 222.376 2.249 20 0 BEADHO CCCC[C@@H](CCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661463 988400980 /nfs/dbraw/zinc/40/09/80/988400980.db2.gz XRVVYGXYMYXATN-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661463 988400984 /nfs/dbraw/zinc/40/09/84/988400984.db2.gz XRVVYGXYMYXATN-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665974 988403544 /nfs/dbraw/zinc/40/35/44/988403544.db2.gz VOMDTPRPHJXJAN-VJTDZRGJSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665974 988403548 /nfs/dbraw/zinc/40/35/48/988403548.db2.gz VOMDTPRPHJXJAN-VJTDZRGJSA-N 1 3 224.392 2.480 20 0 BEADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CNCC[C@H]21 ZINC001246669873 988410440 /nfs/dbraw/zinc/41/04/40/988410440.db2.gz CFOHPPNMUVQRHY-BFHYXJOUSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CNCC[C@H]21 ZINC001246669873 988410451 /nfs/dbraw/zinc/41/04/51/988410451.db2.gz CFOHPPNMUVQRHY-BFHYXJOUSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC[C@H](C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246792891 988467658 /nfs/dbraw/zinc/46/76/58/988467658.db2.gz RXNBDZDMGAVEAG-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CC[C@H](C)[N@H+]1CCCC2(CNC2)C1 ZINC001246792891 988467660 /nfs/dbraw/zinc/46/76/60/988467660.db2.gz RXNBDZDMGAVEAG-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CC[C@H](C)N1CCCC2(C[NH2+]C2)C1 ZINC001246792891 988467663 /nfs/dbraw/zinc/46/76/63/988467663.db2.gz RXNBDZDMGAVEAG-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@H]2C)CCN1 ZINC001246786925 988470299 /nfs/dbraw/zinc/47/02/99/988470299.db2.gz BFFRSWMZRDXURF-LPWJVIDDSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2C)CCN1 ZINC001246786925 988470302 /nfs/dbraw/zinc/47/03/02/988470302.db2.gz BFFRSWMZRDXURF-LPWJVIDDSA-N 1 3 210.365 2.247 20 0 BEADHO FC1(F)C[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246804721 988486141 /nfs/dbraw/zinc/48/61/41/988486141.db2.gz BPLFEVOMMVCCQM-AYLPWXGPSA-N 1 3 242.313 2.001 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)[C@@H](C)C1 ZINC001246811410 988498253 /nfs/dbraw/zinc/49/82/53/988498253.db2.gz VELJTGIBRWVDFS-NDBYEHHHSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)[C@@H](C)C1 ZINC001246811410 988498261 /nfs/dbraw/zinc/49/82/61/988498261.db2.gz VELJTGIBRWVDFS-NDBYEHHHSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246846179 988555219 /nfs/dbraw/zinc/55/52/19/988555219.db2.gz NDDBSKYPKCPMMD-IJLUTSLNSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246846179 988555227 /nfs/dbraw/zinc/55/52/27/988555227.db2.gz NDDBSKYPKCPMMD-IJLUTSLNSA-N 1 3 210.365 2.105 20 0 BEADHO CC[C@H](Cc1ccccc1)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246851720 988570954 /nfs/dbraw/zinc/57/09/54/988570954.db2.gz GSXIIWDIUCXZFA-BZUAXINKSA-N 1 3 244.382 2.431 20 0 BEADHO CCCCC[C@H](C)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246857568 988586349 /nfs/dbraw/zinc/58/63/49/988586349.db2.gz AZWHTYFKLVCCOG-XQQFMLRXSA-N 1 3 210.365 2.378 20 0 BEADHO CC(C)CC[C@H](C)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246862127 988597830 /nfs/dbraw/zinc/59/78/30/988597830.db2.gz QBMRWEPKEWYPEA-XQQFMLRXSA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867042 988621502 /nfs/dbraw/zinc/62/15/02/988621502.db2.gz MZVDKJSAULNGEA-AVGNSLFASA-N 1 3 210.365 2.249 20 0 BEADHO CCCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867042 988621521 /nfs/dbraw/zinc/62/15/21/988621521.db2.gz MZVDKJSAULNGEA-AVGNSLFASA-N 1 3 210.365 2.249 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C[C@@H]21 ZINC001246870719 988633230 /nfs/dbraw/zinc/63/32/30/988633230.db2.gz ZHROHIUXLPRHGH-HTVCTNPSSA-N 1 3 234.387 2.105 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C[C@@H]21 ZINC001246870719 988633243 /nfs/dbraw/zinc/63/32/43/988633243.db2.gz ZHROHIUXLPRHGH-HTVCTNPSSA-N 1 3 234.387 2.105 20 0 BEADHO C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)CCN1 ZINC001246894386 988665458 /nfs/dbraw/zinc/66/54/58/988665458.db2.gz NMNXCDDLJRNACS-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[N@H+]([C@H]2CCN[C@@H](C)C2)C2(CC2)C1 ZINC001246895957 988670282 /nfs/dbraw/zinc/67/02/82/988670282.db2.gz RKWFQJWLQWPNCK-SRVKXCTJSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@H]2CCN[C@@H](C)C2)C2(CC2)C1 ZINC001246895957 988670296 /nfs/dbraw/zinc/67/02/96/988670296.db2.gz RKWFQJWLQWPNCK-SRVKXCTJSA-N 1 3 208.349 2.001 20 0 BEADHO CCCC(CCC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947232 988778859 /nfs/dbraw/zinc/77/88/59/988778859.db2.gz KANSRRQPPQMSLH-ITGUQSILSA-N 1 3 210.365 2.105 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@H+](C)C[C@H](C)N ZINC001246981887 988811147 /nfs/dbraw/zinc/81/11/47/988811147.db2.gz SWGDVIBLYKSODZ-UWVGGRQHSA-N 1 3 218.410 2.186 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@@H+](C)C[C@H](C)N ZINC001246981887 988811155 /nfs/dbraw/zinc/81/11/55/988811155.db2.gz SWGDVIBLYKSODZ-UWVGGRQHSA-N 1 3 218.410 2.186 20 0 BEADHO c1ncc(C[NH+]2CCCC2)cc1CN1CCCC1 ZINC001324418097 988832680 /nfs/dbraw/zinc/83/26/80/988832680.db2.gz RMYCGGRDFZJHRL-UHFFFAOYSA-N 1 3 245.370 2.273 20 0 BEADHO C[C@@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCCCN1 ZINC001326473919 989575304 /nfs/dbraw/zinc/57/53/04/989575304.db2.gz QJUVXGRHEOCSHH-FVKZJRLBSA-N 1 3 208.349 2.073 20 0 BEADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1ccco1 ZINC001258198798 991114796 /nfs/dbraw/zinc/11/47/96/991114796.db2.gz JRXDMZQHZKUOHR-ZDUSSCGKSA-N 1 3 238.375 2.484 20 0 BEADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1ccco1 ZINC001258198797 991117235 /nfs/dbraw/zinc/11/72/35/991117235.db2.gz JRXDMZQHZKUOHR-CYBMUJFWSA-N 1 3 238.375 2.484 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC4(CCC4)C3)[C@@H]2C1 ZINC001308983731 991251566 /nfs/dbraw/zinc/25/15/66/991251566.db2.gz AVYILQVSOFLQMX-YUTCNCBUSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001560622565 991525819 /nfs/dbraw/zinc/52/58/19/991525819.db2.gz KSRMRUOLXDYHLW-XHJNMGKDSA-N 1 3 222.376 2.105 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1cccnc1 ZINC001258613071 991536708 /nfs/dbraw/zinc/53/67/08/991536708.db2.gz LBDSTIKMJYAKFR-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1cccnc1 ZINC001258613071 991536719 /nfs/dbraw/zinc/53/67/19/991536719.db2.gz LBDSTIKMJYAKFR-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)N(CCC[NH3+])[C@@H](C)Cc1cccnc1 ZINC001258613071 991536729 /nfs/dbraw/zinc/53/67/29/991536729.db2.gz LBDSTIKMJYAKFR-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)C1CCC1 ZINC001561053066 991707447 /nfs/dbraw/zinc/70/74/47/991707447.db2.gz RYVQAQGYUXEUHI-AHLTXXRQSA-N 1 3 222.376 2.105 20 0 BEADHO CCC[NH+]1CCC(NC[C@@H]2CC(C)(C)O2)CC1 ZINC001258766541 991727012 /nfs/dbraw/zinc/72/70/12/991727012.db2.gz XRQGFOAXSLNADF-ZDUSSCGKSA-N 1 3 240.391 2.018 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)N1CCOC[C@H]1C ZINC001258907280 991894343 /nfs/dbraw/zinc/89/43/43/991894343.db2.gz HKWMHHKAZLQWMS-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC001319691780 991943004 /nfs/dbraw/zinc/94/30/04/991943004.db2.gz VCKDOFBSUNGTAP-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)[C@H]2C1 ZINC001474756470 992512979 /nfs/dbraw/zinc/51/29/79/992512979.db2.gz GSWPMXFINWBMHY-LXFSFDBISA-N 1 3 234.387 2.105 20 0 BEADHO CC(C)=CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001575391074 993033836 /nfs/dbraw/zinc/03/38/36/993033836.db2.gz FSEXKPCDPSQAQQ-AWEZNQCLSA-N 1 3 222.376 2.418 20 0 BEADHO C[C@@H](CCc1ccsc1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001575971147 993146030 /nfs/dbraw/zinc/14/60/30/993146030.db2.gz CLVGHHBDSPRDIW-ZMLRMANQSA-N 1 3 224.373 2.149 20 0 BEADHO C[C@@H](CCc1ccsc1)N[C@H]1C[C@@H]([NH3+])C1 ZINC001575971147 993146034 /nfs/dbraw/zinc/14/60/34/993146034.db2.gz CLVGHHBDSPRDIW-ZMLRMANQSA-N 1 3 224.373 2.149 20 0 BEADHO C[C@H](CCc1ccsc1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001575971146 993146620 /nfs/dbraw/zinc/14/66/20/993146620.db2.gz CLVGHHBDSPRDIW-JLLWLGSASA-N 1 3 224.373 2.149 20 0 BEADHO C[C@H](CCc1ccsc1)N[C@H]1C[C@@H]([NH3+])C1 ZINC001575971146 993146626 /nfs/dbraw/zinc/14/66/26/993146626.db2.gz CLVGHHBDSPRDIW-JLLWLGSASA-N 1 3 224.373 2.149 20 0 BEADHO C[C@@H](C[NH3+])CNC/C=C/c1cccc(F)c1 ZINC001575987489 993150783 /nfs/dbraw/zinc/15/07/83/993150783.db2.gz HVBLPFQIEFKTEK-TZNOJPMFSA-N 1 3 222.307 2.023 20 0 BEADHO CC1CC(C[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC001576597129 993361410 /nfs/dbraw/zinc/36/14/10/993361410.db2.gz CIMZWCFGEZCVGA-BPCQOVAHSA-N 1 3 210.365 2.012 20 0 BEADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851124 993433635 /nfs/dbraw/zinc/43/36/35/993433635.db2.gz XWJZCVPCYWFEBK-PYJNHQTQSA-N 1 3 222.376 2.010 20 0 BEADHO CC[C@@H](CC(F)(F)F)NC[C@@H]1CCC[NH2+]C1 ZINC001577044915 993488215 /nfs/dbraw/zinc/48/82/15/993488215.db2.gz XFGGPACNEIQJBA-ZJUUUORDSA-N 1 3 238.297 2.307 20 0 BEADHO CCC1(CC)CCC[N@H+](CC2CNC2)CC1 ZINC001577212194 993543863 /nfs/dbraw/zinc/54/38/63/993543863.db2.gz CONUIBHFLDCWOI-UHFFFAOYSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1(CC)CCC[N@@H+](CC2CNC2)CC1 ZINC001577212194 993543873 /nfs/dbraw/zinc/54/38/73/993543873.db2.gz CONUIBHFLDCWOI-UHFFFAOYSA-N 1 3 224.392 2.498 20 0 BEADHO CCCSC[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001577597359 993689793 /nfs/dbraw/zinc/68/97/93/993689793.db2.gz YZNRSBYGDRVKAB-IJLUTSLNSA-N 1 3 230.421 2.378 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000389914035 993766169 /nfs/dbraw/zinc/76/61/69/993766169.db2.gz LTZJUFCOZNCNAV-AGIUHOORSA-N 1 3 212.381 2.352 20 0 BEADHO CC1CCC([N@@H+]2CCC[C@H](N)CC2)CC1 ZINC000393196287 993910104 /nfs/dbraw/zinc/91/01/04/993910104.db2.gz AHVWCICJQCWFPY-CPCZMJQVSA-N 1 3 210.365 2.378 20 0 BEADHO CC1CCC([N@H+]2CCC[C@H](N)CC2)CC1 ZINC000393196287 993910114 /nfs/dbraw/zinc/91/01/14/993910114.db2.gz AHVWCICJQCWFPY-CPCZMJQVSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CCN1 ZINC000821987588 994414938 /nfs/dbraw/zinc/41/49/38/994414938.db2.gz FKPLGBWADRRZNP-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001621570550 1170163931 /nfs/dbraw/zinc/16/39/31/1170163931.db2.gz XACUCJSLKICMMB-REBRKWNGSA-N 1 3 236.403 2.495 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001617798429 1170604930 /nfs/dbraw/zinc/60/49/30/1170604930.db2.gz CCRNCNREKBUMCW-ZDUSSCGKSA-N 1 3 244.423 2.103 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001621570546 1170858315 /nfs/dbraw/zinc/85/83/15/1170858315.db2.gz WYYBWVJIZJGHDY-XGFWRYKXSA-N 1 3 222.376 2.105 20 0 BEADHO Cc1nc([C@@H](C)NCCCC[NH3+])c(C)s1 ZINC000037715234 1170964709 /nfs/dbraw/zinc/96/47/09/1170964709.db2.gz DZOZOBPXZZTZCC-MRVPVSSYSA-N 1 3 227.377 2.149 20 0 BEADHO CCCC1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC000049545616 1171704690 /nfs/dbraw/zinc/70/46/90/1171704690.db2.gz PUIZFAZRLVHFNE-OTTFEQOBSA-N 1 3 210.365 2.378 20 0 BEADHO Cc1ccc(CNCc2ccc(C[NH3+])cc2)cn1 ZINC000516970322 398136648 /nfs/dbraw/zinc/13/66/48/398136648.db2.gz IHBNZMISHLNTFX-UHFFFAOYSA-N 1 3 241.338 2.139 20 0 BEADHO C1=C(CCN2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000385161153 398137396 /nfs/dbraw/zinc/13/73/96/398137396.db2.gz LGXHNRLEPRCWSA-OKILXGFUSA-N 1 3 220.360 2.028 20 0 BEADHO CO[C@H](CN1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000379241322 398140995 /nfs/dbraw/zinc/14/09/95/398140995.db2.gz WZKTUCDRJVNGKP-VNHYZAJKSA-N 1 3 248.370 2.043 20 0 BEADHO C[N@H+](CC1CC1)C[C@H]1CCN(CCC2CC2)C1 ZINC000336706977 187321460 /nfs/dbraw/zinc/32/14/60/187321460.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CCC2CC2)C1 ZINC000336706977 187321462 /nfs/dbraw/zinc/32/14/62/187321462.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336706977 187321463 /nfs/dbraw/zinc/32/14/63/187321463.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336706977 187321465 /nfs/dbraw/zinc/32/14/65/187321465.db2.gz LDBWWMUMSVXPBI-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCOC1CCCCC1 ZINC000422941832 398159635 /nfs/dbraw/zinc/15/96/35/398159635.db2.gz IPSZMPDKWDSSGN-RYUDHWBXSA-N 1 3 228.380 2.051 20 0 BEADHO CC(C)c1nc(CC[NH2+]CC(C)(C)N)cs1 ZINC000415096632 398161810 /nfs/dbraw/zinc/16/18/10/398161810.db2.gz BUURUQQMQYMLLM-UHFFFAOYSA-N 1 3 241.404 2.136 20 0 BEADHO C[C@H](CCCc1cccnc1)N[C@H]1CCC[NH2+]C1 ZINC000415119065 398163163 /nfs/dbraw/zinc/16/31/63/398163163.db2.gz YOQMJUFBZLVJKX-HIFRSBDPSA-N 1 3 247.386 2.134 20 0 BEADHO CC[C@H]([NH2+]CC1(N)CCC1)c1ccncc1 ZINC000423327148 398166254 /nfs/dbraw/zinc/16/62/54/398166254.db2.gz LFFJPBLMUJMCFQ-LBPRGKRZSA-N 1 3 219.332 2.004 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCNC3)[C@@H]1C ZINC000386302703 398205029 /nfs/dbraw/zinc/20/50/29/398205029.db2.gz VRPBRQCVSJMVGW-XHBSWPGZSA-N 1 3 244.382 2.466 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)C2CCCCC2)CCN1 ZINC000229539148 538939652 /nfs/dbraw/zinc/93/96/52/538939652.db2.gz PZHBMFMTNTYDNX-YPMHNXCESA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)C2CCCCC2)CCN1 ZINC000229539148 538939654 /nfs/dbraw/zinc/93/96/54/538939654.db2.gz PZHBMFMTNTYDNX-YPMHNXCESA-N 1 3 210.365 2.391 20 0 BEADHO CCC(CC)C[NH2+]C[C@@H](C)CN(C)C ZINC000308590180 168362334 /nfs/dbraw/zinc/36/23/34/168362334.db2.gz UVUKFPXSZYNRPP-LLVKDONJSA-N 1 3 200.370 2.210 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2COc3ccccc32)C1 ZINC000576718176 365668453 /nfs/dbraw/zinc/66/84/53/365668453.db2.gz UXVVGVKTTRTFHU-XQQFMLRXSA-N 1 3 246.354 2.022 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000576718176 365668457 /nfs/dbraw/zinc/66/84/57/365668457.db2.gz UXVVGVKTTRTFHU-XQQFMLRXSA-N 1 3 246.354 2.022 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2COc3ccccc32)C1 ZINC000576718175 365669146 /nfs/dbraw/zinc/66/91/46/365669146.db2.gz UXVVGVKTTRTFHU-UPJWGTAASA-N 1 3 246.354 2.022 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000576718175 365669151 /nfs/dbraw/zinc/66/91/51/365669151.db2.gz UXVVGVKTTRTFHU-UPJWGTAASA-N 1 3 246.354 2.022 20 0 BEADHO CC[C@H]1C[N@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000162099357 349564288 /nfs/dbraw/zinc/56/42/88/349564288.db2.gz WGUJUCNFUCPKTN-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO CC[C@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000162099357 349564290 /nfs/dbraw/zinc/56/42/90/349564290.db2.gz WGUJUCNFUCPKTN-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1(C)CC1 ZINC000166566781 361852713 /nfs/dbraw/zinc/85/27/13/361852713.db2.gz PKOXRBIBFBADMN-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)C1(C)CC1 ZINC000166566897 361852883 /nfs/dbraw/zinc/85/28/83/361852883.db2.gz PKOXRBIBFBADMN-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO CSC1(C[NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000600191492 342697989 /nfs/dbraw/zinc/69/79/89/342697989.db2.gz PJULDOZPVUFNLO-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000382309835 361895481 /nfs/dbraw/zinc/89/54/81/361895481.db2.gz ICPILYPPTRBBKM-TUAOUCFPSA-N 1 3 246.345 2.481 20 0 BEADHO CCC[C@H](C)CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000625096964 342852110 /nfs/dbraw/zinc/85/21/10/342852110.db2.gz HSDDUOVEMFXCHE-IHRRRGAJSA-N 1 3 224.392 2.354 20 0 BEADHO COCCC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000178244200 536666787 /nfs/dbraw/zinc/66/67/87/536666787.db2.gz HISJLBWNRKXGEN-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCNCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000576814629 365691128 /nfs/dbraw/zinc/69/11/28/365691128.db2.gz FXMNNLJGFDILLL-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000353910384 187208928 /nfs/dbraw/zinc/20/89/28/187208928.db2.gz DDYCFXBYOBHYFK-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000235483856 343039654 /nfs/dbraw/zinc/03/96/54/343039654.db2.gz IQMFYHCVYKACOW-MXWKQRLJSA-N 1 3 239.388 2.106 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000576862101 365705924 /nfs/dbraw/zinc/70/59/24/365705924.db2.gz IYVOWCWWWUSWBB-SRVKXCTJSA-N 1 3 212.381 2.399 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000093210097 343151342 /nfs/dbraw/zinc/15/13/42/343151342.db2.gz MJSZYFRIPVKXIC-CABCVRRESA-N 1 3 232.371 2.479 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC000082489404 136276750 /nfs/dbraw/zinc/27/67/50/136276750.db2.gz VBELMGPTCORLOO-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC000082489404 136276751 /nfs/dbraw/zinc/27/67/51/136276751.db2.gz VBELMGPTCORLOO-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+]C[C@H]1CCCNC1 ZINC000132023024 343187213 /nfs/dbraw/zinc/18/72/13/343187213.db2.gz RPPVQIPEDIFZJA-STQMWFEESA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H](CCc1ccco1)NC[C@H]1CCC[NH2+]C1 ZINC000132023024 343187215 /nfs/dbraw/zinc/18/72/15/343187215.db2.gz RPPVQIPEDIFZJA-STQMWFEESA-N 1 3 236.359 2.190 20 0 BEADHO CC[C@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000302365362 529701874 /nfs/dbraw/zinc/70/18/74/529701874.db2.gz KKDAZURKEUHPEL-CFVMTHIKSA-N 1 3 232.371 2.459 20 0 BEADHO CC[C@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000302365362 529701876 /nfs/dbraw/zinc/70/18/76/529701876.db2.gz KKDAZURKEUHPEL-CFVMTHIKSA-N 1 3 232.371 2.459 20 0 BEADHO CCC1([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000335626659 136299843 /nfs/dbraw/zinc/29/98/43/136299843.db2.gz VYUCOWCTGSNKEO-NEPJUHHUSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000335626659 136299844 /nfs/dbraw/zinc/29/98/44/136299844.db2.gz VYUCOWCTGSNKEO-NEPJUHHUSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000335626659 136299845 /nfs/dbraw/zinc/29/98/45/136299845.db2.gz VYUCOWCTGSNKEO-NEPJUHHUSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000166224981 136313574 /nfs/dbraw/zinc/31/35/74/136313574.db2.gz CYYCZCKLPMETPY-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166224981 136313575 /nfs/dbraw/zinc/31/35/75/136313575.db2.gz CYYCZCKLPMETPY-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)[NH+]1CCC(NCCc2cccnc2)CC1 ZINC000037717664 187260394 /nfs/dbraw/zinc/26/03/94/187260394.db2.gz GXIRXJBLPFFEOG-UHFFFAOYSA-N 1 3 247.386 2.087 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CC[C@H](C(C)C)C1 ZINC000166313192 136345533 /nfs/dbraw/zinc/34/55/33/136345533.db2.gz QERJDOVKCVVVFU-QWHCGFSZSA-N 1 3 212.381 2.338 20 0 BEADHO N[C@H]1C[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000379919280 343655125 /nfs/dbraw/zinc/65/51/25/343655125.db2.gz QYMIGMWFVPIOFJ-NWDGAFQWSA-N 1 3 208.280 2.080 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC1)C1CCCCCC1 ZINC000088163226 343709792 /nfs/dbraw/zinc/70/97/92/343709792.db2.gz DIOBXSJRNXCDBG-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000044528046 343781278 /nfs/dbraw/zinc/78/12/78/343781278.db2.gz QIKLPOPRTBEGTO-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000044528046 343781279 /nfs/dbraw/zinc/78/12/79/343781279.db2.gz QIKLPOPRTBEGTO-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000044528046 343781280 /nfs/dbraw/zinc/78/12/80/343781280.db2.gz QIKLPOPRTBEGTO-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO Cc1ccsc1CN1CCC[C@@H](C[NH3+])C1 ZINC000044527838 343781303 /nfs/dbraw/zinc/78/13/03/343781303.db2.gz YCOGWWMYVPRJNH-NSHDSACASA-N 1 3 224.373 2.227 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000387661116 346995199 /nfs/dbraw/zinc/99/51/99/346995199.db2.gz HLONGKNINXWJNM-FVCCEPFGSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C2CCCC2)C1 ZINC000040620882 187281309 /nfs/dbraw/zinc/28/13/09/187281309.db2.gz LSMYJMRLITYEHD-GFCCVEGCSA-N 1 3 210.365 2.249 20 0 BEADHO CC1CC([NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000634733290 344113322 /nfs/dbraw/zinc/11/33/22/344113322.db2.gz BZEIFROIUBPMCU-CXQJBGSLSA-N 1 3 210.365 2.153 20 0 BEADHO COCC(C)(C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634734111 344114600 /nfs/dbraw/zinc/11/46/00/344114600.db2.gz XAOCKQIOGVSATE-LBPRGKRZSA-N 1 3 242.407 2.027 20 0 BEADHO COc1cccc2c1CCC[C@H]2[NH2+]CC(C)(C)N ZINC000518359995 344210859 /nfs/dbraw/zinc/21/08/59/344210859.db2.gz MALXQCFBOHOBFL-CYBMUJFWSA-N 1 3 248.370 2.400 20 0 BEADHO CCCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747118 344284589 /nfs/dbraw/zinc/28/45/89/344284589.db2.gz WOMWGXKKJDAEQW-FUNVUKJBSA-N 1 3 210.365 2.391 20 0 BEADHO COCc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093214623 344312804 /nfs/dbraw/zinc/31/28/04/344312804.db2.gz DDLVOUMZEQGFMK-CABCVRRESA-N 1 3 248.370 2.193 20 0 BEADHO CC(C)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000318969272 259381138 /nfs/dbraw/zinc/38/11/38/259381138.db2.gz GQRHDMWEFGQXHR-NSHDSACASA-N 1 3 218.344 2.424 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000306073390 187296042 /nfs/dbraw/zinc/29/60/42/187296042.db2.gz DNFJOCUWIWKGKC-AHDPXTMNSA-N 1 3 234.387 2.391 20 0 BEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000583428567 344947128 /nfs/dbraw/zinc/94/71/28/344947128.db2.gz GSARZHMAHIBHAP-BXKDBHETSA-N 1 3 240.297 2.182 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC12CC(C1)C[NH2+]2 ZINC000634993397 345190359 /nfs/dbraw/zinc/19/03/59/345190359.db2.gz SZDBDWLWLYZWFG-FVEONMQPSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC12CC(C1)CN2 ZINC000634993397 345190360 /nfs/dbraw/zinc/19/03/60/345190360.db2.gz SZDBDWLWLYZWFG-FVEONMQPSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC12CC(C1)CN2 ZINC000634993397 345190361 /nfs/dbraw/zinc/19/03/61/345190361.db2.gz SZDBDWLWLYZWFG-FVEONMQPSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)[C@@H](C[NH3+])CN[C@H]1CCc2cc(N)ccc21 ZINC000634996701 345191435 /nfs/dbraw/zinc/19/14/35/345191435.db2.gz QZRWXRZUGHGERL-WFASDCNBSA-N 1 3 247.386 2.077 20 0 BEADHO CC(C)[C@@H](CN)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000634996701 345191438 /nfs/dbraw/zinc/19/14/38/345191438.db2.gz QZRWXRZUGHGERL-WFASDCNBSA-N 1 3 247.386 2.077 20 0 BEADHO CC1([NH2+]CC23CC(C2)CN3)CCC(F)(F)CC1 ZINC000634997486 345196415 /nfs/dbraw/zinc/19/64/15/345196415.db2.gz MEYWGHYBQHDKIC-UHFFFAOYSA-N 1 3 244.329 2.296 20 0 BEADHO CC1(NCC23CC(C2)C[NH2+]3)CCC(F)(F)CC1 ZINC000634997486 345196419 /nfs/dbraw/zinc/19/64/19/345196419.db2.gz MEYWGHYBQHDKIC-UHFFFAOYSA-N 1 3 244.329 2.296 20 0 BEADHO C[C@H]1CN(Cc2coc3ccccc23)C[C@H]1C[NH3+] ZINC000634998091 345197742 /nfs/dbraw/zinc/19/77/42/345197742.db2.gz ANHCOFUNYRDIIL-NWDGAFQWSA-N 1 3 244.338 2.459 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634999616 345200343 /nfs/dbraw/zinc/20/03/43/345200343.db2.gz WZXDXGJGOXAFRM-IJEWVQPXSA-N 1 3 246.398 2.392 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634999616 345200348 /nfs/dbraw/zinc/20/03/48/345200348.db2.gz WZXDXGJGOXAFRM-IJEWVQPXSA-N 1 3 246.398 2.392 20 0 BEADHO CC[C@@H](N[C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000635004480 345207831 /nfs/dbraw/zinc/20/78/31/345207831.db2.gz PFSUHTUTAFZJAG-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000635004480 345207833 /nfs/dbraw/zinc/20/78/33/345207833.db2.gz PFSUHTUTAFZJAG-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004853 345208336 /nfs/dbraw/zinc/20/83/36/345208336.db2.gz QKHONVYSVKKMBT-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCC[C@H]1CNc2ccccc21 ZINC000635005713 345209886 /nfs/dbraw/zinc/20/98/86/345209886.db2.gz JPGBYHGUASHMIX-LNSITVRQSA-N 1 3 245.370 2.055 20 0 BEADHO CC1CC([NH2+]CC[C@@H](N)Cc2ccccc2)C1 ZINC000635010121 345211990 /nfs/dbraw/zinc/21/19/90/345211990.db2.gz YLNKXHBDFLKIDF-HNFVBEJKSA-N 1 3 232.371 2.335 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635012443 345214220 /nfs/dbraw/zinc/21/42/20/345214220.db2.gz MLOJOKWEWMBNNH-DOLQZWNJSA-N 1 3 236.281 2.044 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc2[nH]ccc21 ZINC000635012540 345214355 /nfs/dbraw/zinc/21/43/55/345214355.db2.gz MVZNFCGCRSXKPD-SMDDNHRTSA-N 1 3 243.354 2.385 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012540 345214358 /nfs/dbraw/zinc/21/43/58/345214358.db2.gz MVZNFCGCRSXKPD-SMDDNHRTSA-N 1 3 243.354 2.385 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)[C@H]1C ZINC000635012813 345215073 /nfs/dbraw/zinc/21/50/73/345215073.db2.gz VRALVHLNUMUFHX-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO Cc1scc(C[NH2+][C@H]2CCC[C@H]2N)c1C ZINC000635023075 345222232 /nfs/dbraw/zinc/22/22/32/345222232.db2.gz RMOMIWCSEQCUQT-NEPJUHHUSA-N 1 3 224.373 2.334 20 0 BEADHO CC(C)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000308847265 187306806 /nfs/dbraw/zinc/30/68/06/187306806.db2.gz MSLXNILSRRBTSF-GFCCVEGCSA-N 1 3 210.365 2.273 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772696 345575471 /nfs/dbraw/zinc/57/54/71/345575471.db2.gz VUZHWDSIQVJVQA-KGLIPLIRSA-N 1 3 234.387 2.393 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772696 345575474 /nfs/dbraw/zinc/57/54/74/345575474.db2.gz VUZHWDSIQVJVQA-KGLIPLIRSA-N 1 3 234.387 2.393 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1(C2CC2)CC1 ZINC000090772696 345575478 /nfs/dbraw/zinc/57/54/78/345575478.db2.gz VUZHWDSIQVJVQA-KGLIPLIRSA-N 1 3 234.387 2.393 20 0 BEADHO c1ccc(C2(C[NH2+]C3CCNCC3)CC2)cc1 ZINC000216202176 345743133 /nfs/dbraw/zinc/74/31/33/345743133.db2.gz XYFKSGVTUNCKEF-UHFFFAOYSA-N 1 3 230.355 2.060 20 0 BEADHO c1ccc(C2(CNC3CC[NH2+]CC3)CC2)cc1 ZINC000216202176 345743136 /nfs/dbraw/zinc/74/31/36/345743136.db2.gz XYFKSGVTUNCKEF-UHFFFAOYSA-N 1 3 230.355 2.060 20 0 BEADHO CCOC[C@@H]1CC[N@H+](CCCN(CC)CC)C1 ZINC000191803854 346065045 /nfs/dbraw/zinc/06/50/45/346065045.db2.gz STFGWMXFPZFRPY-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCOC[C@@H]1CC[N@@H+](CCCN(CC)CC)C1 ZINC000191803854 346065047 /nfs/dbraw/zinc/06/50/47/346065047.db2.gz STFGWMXFPZFRPY-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000381521490 346242557 /nfs/dbraw/zinc/24/25/57/346242557.db2.gz UVIMQJWVXAAEMI-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1cccc(C)c1CNC1CC[NH+](C)CC1 ZINC000083359008 179037406 /nfs/dbraw/zinc/03/74/06/179037406.db2.gz QRGAIEZMHFBDNK-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@@H+](C)C2CCNCC2)c1 ZINC000036301451 179064120 /nfs/dbraw/zinc/06/41/20/179064120.db2.gz WIBJDOBALBFQOJ-UHFFFAOYSA-N 1 3 218.344 2.179 20 0 BEADHO Cc1cccc(C[N@H+](C)C2CCNCC2)c1 ZINC000036301451 179064122 /nfs/dbraw/zinc/06/41/22/179064122.db2.gz WIBJDOBALBFQOJ-UHFFFAOYSA-N 1 3 218.344 2.179 20 0 BEADHO Cc1cccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228204718 179081909 /nfs/dbraw/zinc/08/19/09/179081909.db2.gz BPSLYPCHBVNWEJ-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)C1(C)C)c1ccccc1 ZINC000641801102 362755191 /nfs/dbraw/zinc/75/51/91/362755191.db2.gz NBYMOGMNNLOWQI-MGPQQGTHSA-N 1 3 248.370 2.090 20 0 BEADHO COc1cc(C)cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000577124171 365828824 /nfs/dbraw/zinc/82/88/24/365828824.db2.gz IUUAMHIAKPQZGR-ZIAGYGMSSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000580182194 346621491 /nfs/dbraw/zinc/62/14/91/346621491.db2.gz RYMZVISCZDSYNX-GARJFASQSA-N 1 3 226.389 2.395 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000580715153 346658949 /nfs/dbraw/zinc/65/89/49/346658949.db2.gz QAFWTKYEMCEVRX-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000580715153 346658950 /nfs/dbraw/zinc/65/89/50/346658950.db2.gz QAFWTKYEMCEVRX-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1cccc(OCCN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228202298 179168183 /nfs/dbraw/zinc/16/81/83/179168183.db2.gz IWDJZXHEHHTUFB-KBPBESRZSA-N 1 3 248.370 2.043 20 0 BEADHO Cc1cccc(OCCN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000131784838 179168446 /nfs/dbraw/zinc/16/84/46/179168446.db2.gz WWLCIKSNBIPCTD-KBPBESRZSA-N 1 3 248.370 2.043 20 0 BEADHO COCC[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000184509191 347165189 /nfs/dbraw/zinc/16/51/89/347165189.db2.gz RXKYJFXLVJEERP-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1ccccc1CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359283909 179261473 /nfs/dbraw/zinc/26/14/73/179261473.db2.gz KIXOKSVNFQJGJF-HZPDHXFCSA-N 1 3 244.382 2.079 20 0 BEADHO Cc1ccccc1CCCNCC1([NH3+])CCC1 ZINC000342135224 179261638 /nfs/dbraw/zinc/26/16/38/179261638.db2.gz OHCSVJURPSPHEC-UHFFFAOYSA-N 1 3 232.371 2.399 20 0 BEADHO CCS[C@@H]1CCCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000592477066 347791479 /nfs/dbraw/zinc/79/14/79/347791479.db2.gz QYLYNUMHGZSOEE-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038041300 348038393 /nfs/dbraw/zinc/03/83/93/348038393.db2.gz IIMWOEUUFIHKLW-LBPRGKRZSA-N 1 3 248.370 2.488 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595010210 348159954 /nfs/dbraw/zinc/15/99/54/348159954.db2.gz IZPGPNKGEUGIND-NWDGAFQWSA-N 1 3 248.411 2.009 20 0 BEADHO C[C@H](CSCCF)[NH2+]CCCN1CCCC1 ZINC000595003071 348169320 /nfs/dbraw/zinc/16/93/20/348169320.db2.gz CRSFKTHLIHTJLV-GFCCVEGCSA-N 1 3 248.411 2.153 20 0 BEADHO C[C@H](CSCCF)NCCC[NH+]1CCCC1 ZINC000595003071 348169322 /nfs/dbraw/zinc/16/93/22/348169322.db2.gz CRSFKTHLIHTJLV-GFCCVEGCSA-N 1 3 248.411 2.153 20 0 BEADHO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000257782418 535075721 /nfs/dbraw/zinc/07/57/21/535075721.db2.gz QLPVATVGLHXTPK-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000257782418 535075724 /nfs/dbraw/zinc/07/57/24/535075724.db2.gz QLPVATVGLHXTPK-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CSCC1(CC[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000596649694 348605543 /nfs/dbraw/zinc/60/55/43/348605543.db2.gz FEQMKWNHSRQPPL-WDEREUQCSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000038812866 348734488 /nfs/dbraw/zinc/73/44/88/348734488.db2.gz MRWADXJLYWZRTH-SGMGOOAPSA-N 1 3 218.344 2.417 20 0 BEADHO Cc1cc(Nc2ccc3c(c2)C[NH2+]CC3)ccn1 ZINC000420178312 192170648 /nfs/dbraw/zinc/17/06/48/192170648.db2.gz AUUQBOOYKLRCGV-UHFFFAOYSA-N 1 3 239.322 2.201 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000250604174 349177117 /nfs/dbraw/zinc/17/71/17/349177117.db2.gz KVAQJPABYDRHAN-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCC[C@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000250604174 349177120 /nfs/dbraw/zinc/17/71/20/349177120.db2.gz KVAQJPABYDRHAN-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000250475319 349170886 /nfs/dbraw/zinc/17/08/86/349170886.db2.gz AHDNCOBMGLDNLK-VXGBXAGGSA-N 1 3 210.365 2.105 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000388590907 349203571 /nfs/dbraw/zinc/20/35/71/349203571.db2.gz APCXIVGVPWIAGY-YNEHKIRRSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CC[C@@H](C)C2)C1 ZINC000070643535 350035841 /nfs/dbraw/zinc/03/58/41/350035841.db2.gz ALEZIGMLRIHGLW-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO CCc1nc(C)c(CN[C@H](C)CCCC[NH3+])o1 ZINC000311852919 350042350 /nfs/dbraw/zinc/04/23/50/350042350.db2.gz PXRDIGZDHWHJCS-SNVBAGLBSA-N 1 3 239.363 2.153 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CC1CC1)CN1CCCC1 ZINC000132430253 191032594 /nfs/dbraw/zinc/03/25/94/191032594.db2.gz GKOBYFLVQYMMFP-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO COc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422729053 192444191 /nfs/dbraw/zinc/44/41/91/192444191.db2.gz HINJPWAQFDCZGK-DOMZBBRYSA-N 1 3 248.370 2.173 20 0 BEADHO CSC1(C[NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000304248332 350150795 /nfs/dbraw/zinc/15/07/95/350150795.db2.gz GLOBHMGINKUYAG-GFCCVEGCSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1CNC1 ZINC000422737342 192447183 /nfs/dbraw/zinc/44/71/83/192447183.db2.gz XJVBIDQZJJVKAO-XZUYRWCXSA-N 1 3 210.365 2.009 20 0 BEADHO CO[C@H](C)[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000163250227 350511505 /nfs/dbraw/zinc/51/15/05/350511505.db2.gz IYADKMWGYABFRX-VXGBXAGGSA-N 1 3 242.407 2.262 20 0 BEADHO CO[C@H](C)[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000163250142 350511774 /nfs/dbraw/zinc/51/17/74/350511774.db2.gz IYADKMWGYABFRX-NWDGAFQWSA-N 1 3 242.407 2.262 20 0 BEADHO CCCC[C@H](COC)[NH2+]C[C@H]1CCN(CC)C1 ZINC000163276888 350514948 /nfs/dbraw/zinc/51/49/48/350514948.db2.gz TVZCUCTWOKOXMN-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@H](COC)NC[C@H]1CC[N@H+](CC)C1 ZINC000163276888 350514951 /nfs/dbraw/zinc/51/49/51/350514951.db2.gz TVZCUCTWOKOXMN-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@H](COC)NC[C@H]1CC[N@@H+](CC)C1 ZINC000163276888 350514953 /nfs/dbraw/zinc/51/49/53/350514953.db2.gz TVZCUCTWOKOXMN-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCOC1CCCCC1 ZINC000422786928 192469653 /nfs/dbraw/zinc/46/96/53/192469653.db2.gz PHUIBKAGDFKOKW-CHWSQXEVSA-N 1 3 242.407 2.441 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000577611604 366017717 /nfs/dbraw/zinc/01/77/17/366017717.db2.gz TWALEVYVDCCQEL-LOWDOPEQSA-N 1 3 228.355 2.387 20 0 BEADHO CSCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086501074 351166220 /nfs/dbraw/zinc/16/62/20/351166220.db2.gz KDGUJAZBECZYMI-VXGBXAGGSA-N 1 3 230.421 2.250 20 0 BEADHO CO[C@](C)(CNCCC[N@H+](C)C(C)C)C1CC1 ZINC000638338521 352158919 /nfs/dbraw/zinc/15/89/19/352158919.db2.gz YALFBCWLRXMCAD-CQSZACIVSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@](C)(CNCCC[N@@H+](C)C(C)C)C1CC1 ZINC000638338521 352158920 /nfs/dbraw/zinc/15/89/20/352158920.db2.gz YALFBCWLRXMCAD-CQSZACIVSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@](C)(C[NH2+]CCCN(C)C(C)C)C1CC1 ZINC000638338521 352158922 /nfs/dbraw/zinc/15/89/22/352158922.db2.gz YALFBCWLRXMCAD-CQSZACIVSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](CCN)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414900110 352175291 /nfs/dbraw/zinc/17/52/91/352175291.db2.gz VPBXQIKNADSVNL-UBHSHLNASA-N 1 3 218.344 2.117 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638408451 352214671 /nfs/dbraw/zinc/21/46/71/352214671.db2.gz BBOPGDHXXBXYLV-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CNC[C@@](C)(CC)OC)C1 ZINC000638408451 352214674 /nfs/dbraw/zinc/21/46/74/352214674.db2.gz BBOPGDHXXBXYLV-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@H+]1CC[C@@H](CNC[C@@](C)(CC)OC)C1 ZINC000638408451 352214676 /nfs/dbraw/zinc/21/46/76/352214676.db2.gz BBOPGDHXXBXYLV-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CCCC[C@@H]1OC ZINC000037211031 358470228 /nfs/dbraw/zinc/47/02/28/358470228.db2.gz MFJYQWWYRRLRNP-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000037211031 358470231 /nfs/dbraw/zinc/47/02/31/358470231.db2.gz MFJYQWWYRRLRNP-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](C[N@@H+]1CCCNCC1)c1ccc(F)cc1 ZINC000041271335 352605521 /nfs/dbraw/zinc/60/55/21/352605521.db2.gz XGELVAJDZJNKQI-GFCCVEGCSA-N 1 3 236.334 2.225 20 0 BEADHO C[C@H](C[N@H+]1CCCNCC1)c1ccc(F)cc1 ZINC000041271335 352605525 /nfs/dbraw/zinc/60/55/25/352605525.db2.gz XGELVAJDZJNKQI-GFCCVEGCSA-N 1 3 236.334 2.225 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000300361825 352560308 /nfs/dbraw/zinc/56/03/08/352560308.db2.gz IQMFYHCVYKACOW-OUAUKWLOSA-N 1 3 239.388 2.106 20 0 BEADHO CCOc1cccc(CN2CCC(C[NH3+])CC2)c1 ZINC000044512288 352653533 /nfs/dbraw/zinc/65/35/33/352653533.db2.gz LOBBWOGKQKJELA-UHFFFAOYSA-N 1 3 248.370 2.256 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C2CCC2)CC1 ZINC000334184883 352773210 /nfs/dbraw/zinc/77/32/10/352773210.db2.gz DIAQQMIFBINMQZ-UHFFFAOYSA-N 1 3 231.343 2.065 20 0 BEADHO CC[NH2+]CCNC1CCC(C(F)(F)F)CC1 ZINC000414846603 259434103 /nfs/dbraw/zinc/43/41/03/259434103.db2.gz NQXNOSCONBGOCK-UHFFFAOYSA-N 1 3 238.297 2.307 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000300987393 188043096 /nfs/dbraw/zinc/04/30/96/188043096.db2.gz VBERXDRECRSPLG-IHRRRGAJSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000300987393 188043098 /nfs/dbraw/zinc/04/30/98/188043098.db2.gz VBERXDRECRSPLG-IHRRRGAJSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)(CCc1ccccc1)[NH2+]CCCN ZINC000126770758 188258179 /nfs/dbraw/zinc/25/81/79/188258179.db2.gz LNERWNQTGWUPSO-UHFFFAOYSA-N 1 3 220.360 2.336 20 0 BEADHO CC(C)(C)[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000252876158 353313026 /nfs/dbraw/zinc/31/30/26/353313026.db2.gz WCENZTRHPDZKQW-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000252876158 353313028 /nfs/dbraw/zinc/31/30/28/353313028.db2.gz WCENZTRHPDZKQW-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[NH+]1CCC(N[C@@H](c2cccnc2)C2CC2)CC1 ZINC000358357743 188325233 /nfs/dbraw/zinc/32/52/33/188325233.db2.gz RGVKXRVZRUFXKQ-OAHLLOKOSA-N 1 3 245.370 2.217 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000300988782 188336115 /nfs/dbraw/zinc/33/61/15/188336115.db2.gz VEXJHFDRUGUPBX-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000300988782 188336116 /nfs/dbraw/zinc/33/61/16/188336116.db2.gz VEXJHFDRUGUPBX-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO C1CC2(CCCC2)[C@@H]1[NH2+]C1CCNCC1 ZINC000335010851 188356590 /nfs/dbraw/zinc/35/65/90/188356590.db2.gz RHMZSYORTBYSSK-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO N[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669587 353493402 /nfs/dbraw/zinc/49/34/02/353493402.db2.gz CJPZVXGRNMJDAK-CABCVRRESA-N 1 3 245.370 2.250 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000059868947 353513085 /nfs/dbraw/zinc/51/30/85/353513085.db2.gz MRWADXJLYWZRTH-OUCADQQQSA-N 1 3 218.344 2.417 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336778958 353530209 /nfs/dbraw/zinc/53/02/09/353530209.db2.gz MVFBLAUCWFHLCD-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000231347933 353595568 /nfs/dbraw/zinc/59/55/68/353595568.db2.gz PVMIUVLZYTZYJK-OASPWFOLSA-N 1 3 234.368 2.226 20 0 BEADHO CC[C@@](C)(C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106205 353621615 /nfs/dbraw/zinc/62/16/15/353621615.db2.gz XBUPFOKVWHUAPX-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@](C)(C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106205 353621617 /nfs/dbraw/zinc/62/16/17/353621617.db2.gz XBUPFOKVWHUAPX-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@](C)(CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106205 353621620 /nfs/dbraw/zinc/62/16/20/353621620.db2.gz XBUPFOKVWHUAPX-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106239 353612862 /nfs/dbraw/zinc/61/28/62/353612862.db2.gz XLRLXKYMIRCJJE-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000639106239 353612865 /nfs/dbraw/zinc/61/28/65/353612865.db2.gz XLRLXKYMIRCJJE-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@H](CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000639106239 353612867 /nfs/dbraw/zinc/61/28/67/353612867.db2.gz XLRLXKYMIRCJJE-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCCNCC1 ZINC000398105714 324217855 /nfs/dbraw/zinc/21/78/55/324217855.db2.gz VNABIGHLEMQGTR-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@@H](C)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000220357895 353831994 /nfs/dbraw/zinc/83/19/94/353831994.db2.gz CREYAENNOCTFLF-CHWSQXEVSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[C@@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000220357895 353831996 /nfs/dbraw/zinc/83/19/96/353831996.db2.gz CREYAENNOCTFLF-CHWSQXEVSA-N 1 3 224.392 2.495 20 0 BEADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCSC1 ZINC000343610576 353933226 /nfs/dbraw/zinc/93/32/26/353933226.db2.gz YHJFIHWMUYOESA-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CC[N@H+](CC1CCC1)[C@H]1CCCNCC1 ZINC000231671189 363348049 /nfs/dbraw/zinc/34/80/49/363348049.db2.gz QBLDSCHIDPKRGB-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC[N@@H+](CC1CCC1)[C@H]1CCCNCC1 ZINC000231671189 363348054 /nfs/dbraw/zinc/34/80/54/363348054.db2.gz QBLDSCHIDPKRGB-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)s1 ZINC000334614737 354300285 /nfs/dbraw/zinc/30/02/85/354300285.db2.gz DJCGTBCOJWYRPP-VXGBXAGGSA-N 1 3 224.373 2.416 20 0 BEADHO CN(C)C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000335107020 354691959 /nfs/dbraw/zinc/69/19/59/354691959.db2.gz HLVKSTHAOVHBJT-NSHDSACASA-N 1 3 246.345 2.448 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)OCC ZINC000530206567 324523050 /nfs/dbraw/zinc/52/30/50/324523050.db2.gz APOIPLXOJUFKTD-MCIONIFRSA-N 1 3 242.407 2.299 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000235179550 363438966 /nfs/dbraw/zinc/43/89/66/363438966.db2.gz LWHJZQPGTBQJFM-RYUDHWBXSA-N 1 3 230.421 2.237 20 0 BEADHO C1CC2(CCCC2)[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000335177546 354947807 /nfs/dbraw/zinc/94/78/07/354947807.db2.gz IRNSGHPRAMGQNC-RYUDHWBXSA-N 1 3 208.349 2.051 20 0 BEADHO Cc1csc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000335164183 354950802 /nfs/dbraw/zinc/95/08/02/354950802.db2.gz OTTVKAJQHHAZLT-GHMZBOCLSA-N 1 3 210.346 2.026 20 0 BEADHO c1ccc2c(c1)CCC(N[C@H]1CCC[NH2+]C1)CC2 ZINC000335181380 355078562 /nfs/dbraw/zinc/07/85/62/355078562.db2.gz PMLPLVKXCFTFDE-INIZCTEOSA-N 1 3 244.382 2.276 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C[C@@H](C)C1 ZINC000346972748 355208255 /nfs/dbraw/zinc/20/82/55/355208255.db2.gz HXPYBTDNWFWDFX-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C[C@@H](C)C1 ZINC000346972748 355208256 /nfs/dbraw/zinc/20/82/56/355208256.db2.gz HXPYBTDNWFWDFX-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1Cc2ccccc2CN1C[C@@H]1CCC[NH2+]C1 ZINC000346975494 355208881 /nfs/dbraw/zinc/20/88/81/355208881.db2.gz JEOZXBLISFPACL-UONOGXRCSA-N 1 3 244.382 2.433 20 0 BEADHO C1CC1[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335253588 355210528 /nfs/dbraw/zinc/21/05/28/355210528.db2.gz YJCOYMSYPQORNK-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@]1(C)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346977891 355211641 /nfs/dbraw/zinc/21/16/41/355211641.db2.gz NECZOWBPQOIPNF-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@]1(C)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346977891 355211643 /nfs/dbraw/zinc/21/16/43/355211643.db2.gz NECZOWBPQOIPNF-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO Fc1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000335241755 355176461 /nfs/dbraw/zinc/17/64/61/355176461.db2.gz PPEJIUGAWFHUOI-LBPRGKRZSA-N 1 3 248.345 2.183 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000414883968 191614701 /nfs/dbraw/zinc/61/47/01/191614701.db2.gz AMZUBZNNWSXPKJ-AWEZNQCLSA-N 1 3 241.338 2.062 20 0 BEADHO C[C@H](CC[NH3+])NCc1cccc(OC(F)F)c1 ZINC000414887482 191616054 /nfs/dbraw/zinc/61/60/54/191616054.db2.gz QKQYUQYSCZLKJN-SECBINFHSA-N 1 3 244.285 2.115 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000414950316 191631811 /nfs/dbraw/zinc/63/18/11/191631811.db2.gz OJRMLVOIYNRJNN-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)nc1 ZINC000350176004 355619732 /nfs/dbraw/zinc/61/97/32/355619732.db2.gz LGWDGDDAQQKBDH-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000166716303 355829239 /nfs/dbraw/zinc/82/92/39/355829239.db2.gz LESAHKZIPUPBGK-ZOBORPQBSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000166716303 355829241 /nfs/dbraw/zinc/82/92/41/355829241.db2.gz LESAHKZIPUPBGK-ZOBORPQBSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H](CC[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000216161056 355910958 /nfs/dbraw/zinc/91/09/58/355910958.db2.gz KRYJPHUVKDNLFB-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](CC[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000216161056 355910962 /nfs/dbraw/zinc/91/09/62/355910962.db2.gz KRYJPHUVKDNLFB-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO CCC1([NH+](C)C)CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000639378190 355911023 /nfs/dbraw/zinc/91/10/23/355911023.db2.gz FAHVPWONPKWEMS-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CCC1(N(C)C)CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000639378190 355911026 /nfs/dbraw/zinc/91/10/26/355911026.db2.gz FAHVPWONPKWEMS-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CCOCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420319550 192195311 /nfs/dbraw/zinc/19/53/11/192195311.db2.gz XRXUTRAEALSINY-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO COc1ccc([C@H](C[NH3+])CN(C)CC2CC2)cc1 ZINC000420320503 192195326 /nfs/dbraw/zinc/19/53/26/192195326.db2.gz QKJSJXUMMUDUPL-CQSZACIVSA-N 1 3 248.370 2.079 20 0 BEADHO CCc1cccc(C[N@H+](C)C2CCNCC2)c1 ZINC000420278447 192198418 /nfs/dbraw/zinc/19/84/18/192198418.db2.gz VQBFWKCFAHCMOU-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1cccc(C[N@@H+](C)C2CCNCC2)c1 ZINC000420278447 192198421 /nfs/dbraw/zinc/19/84/21/192198421.db2.gz VQBFWKCFAHCMOU-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO c1cc(CN2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000336129206 134093826 /nfs/dbraw/zinc/09/38/26/134093826.db2.gz UCMFBMMZANWCRY-UHFFFAOYSA-N 1 3 236.384 2.324 20 0 BEADHO CCc1cccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420302423 192206727 /nfs/dbraw/zinc/20/67/27/192206727.db2.gz GAXPOEPHCSXRPQ-DOMZBBRYSA-N 1 3 232.371 2.418 20 0 BEADHO C[NH2+]CC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000420291761 192202928 /nfs/dbraw/zinc/20/29/28/192202928.db2.gz KSBWTVAUSFZTKZ-UHFFFAOYSA-N 1 3 247.386 2.130 20 0 BEADHO CC(C)COCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420358164 192218785 /nfs/dbraw/zinc/21/87/85/192218785.db2.gz FBBDHASOZZJPEA-AWEZNQCLSA-N 1 3 242.407 2.156 20 0 BEADHO CN(CCCCC(F)(F)F)C1CC([NH3+])C1 ZINC000420340804 192216511 /nfs/dbraw/zinc/21/65/11/192216511.db2.gz ULOSNRWHHKRJAL-UHFFFAOYSA-N 1 3 224.270 2.141 20 0 BEADHO C[N@H+](CCCCC(F)(F)F)C1CC(N)C1 ZINC000420340804 192216513 /nfs/dbraw/zinc/21/65/13/192216513.db2.gz ULOSNRWHHKRJAL-UHFFFAOYSA-N 1 3 224.270 2.141 20 0 BEADHO C[N@@H+](CCCCC(F)(F)F)C1CC(N)C1 ZINC000420340804 192216514 /nfs/dbraw/zinc/21/65/14/192216514.db2.gz ULOSNRWHHKRJAL-UHFFFAOYSA-N 1 3 224.270 2.141 20 0 BEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000420317669 192212971 /nfs/dbraw/zinc/21/29/71/192212971.db2.gz NPZDNQOBOLFFPA-TZMCWYRMSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000420317669 192212974 /nfs/dbraw/zinc/21/29/74/192212974.db2.gz NPZDNQOBOLFFPA-TZMCWYRMSA-N 1 3 248.370 2.079 20 0 BEADHO COc1cccc(CCCN(C)C2CC([NH3+])C2)c1 ZINC000420326262 192229246 /nfs/dbraw/zinc/22/92/46/192229246.db2.gz DSJFKQDERILQHO-UHFFFAOYSA-N 1 3 248.370 2.049 20 0 BEADHO C[NH2+]CCCN(C)CCCc1cccc(F)c1 ZINC000420383746 192235605 /nfs/dbraw/zinc/23/56/05/192235605.db2.gz CINKMBJAWQCALW-UHFFFAOYSA-N 1 3 238.350 2.300 20 0 BEADHO CCSCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420396046 192236578 /nfs/dbraw/zinc/23/65/78/192236578.db2.gz LMJMOSBNDFBCIT-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CCSCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420396047 192237546 /nfs/dbraw/zinc/23/75/46/192237546.db2.gz LMJMOSBNDFBCIT-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO [NH3+]CCCN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420410981 192239219 /nfs/dbraw/zinc/23/92/19/192239219.db2.gz RNOONDRPFTYVAV-HIFRSBDPSA-N 1 3 248.370 2.093 20 0 BEADHO CCCCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249613224 535313347 /nfs/dbraw/zinc/31/33/47/535313347.db2.gz IFZFBRCSFFJZCR-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO CCCCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000249613224 535313351 /nfs/dbraw/zinc/31/33/51/535313351.db2.gz IFZFBRCSFFJZCR-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423004106 192534402 /nfs/dbraw/zinc/53/44/02/192534402.db2.gz JEHYATRNTVCSMV-CHWSQXEVSA-N 1 3 242.407 2.035 20 0 BEADHO C[C@H]([NH2+]CC1C2CC3CC(C2)CC1C3)C1CNC1 ZINC000422989776 192520631 /nfs/dbraw/zinc/52/06/31/192520631.db2.gz MMBSVLBSSPRZCD-BSTQEOMGSA-N 1 3 248.414 2.256 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422994485 192522164 /nfs/dbraw/zinc/52/21/64/192522164.db2.gz HVWWTTNLNQOXOJ-ZFWWWQNUSA-N 1 3 247.386 2.121 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CCC1 ZINC000422959098 192527200 /nfs/dbraw/zinc/52/72/00/192527200.db2.gz QQOANXAMAUJHSJ-VIFPVBQESA-N 1 3 219.332 2.052 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)C1CCCC1)C1CNC1 ZINC000423004705 192534843 /nfs/dbraw/zinc/53/48/43/192534843.db2.gz PUMQKZXDROWBES-LLVKDONJSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000423150123 192590911 /nfs/dbraw/zinc/59/09/11/192590911.db2.gz IDHWOQQVYMLGDS-IGQOVBAYSA-N 1 3 242.407 2.153 20 0 BEADHO CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000257697700 538745689 /nfs/dbraw/zinc/74/56/89/538745689.db2.gz WTKRACINYKJLPB-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H](C)N)C1 ZINC000261550466 535351040 /nfs/dbraw/zinc/35/10/40/535351040.db2.gz PLYFTMNKMOBEGE-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@@H]([C@@H](C)N)C1 ZINC000261550466 535351041 /nfs/dbraw/zinc/35/10/41/535351041.db2.gz PLYFTMNKMOBEGE-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423202647 192626462 /nfs/dbraw/zinc/62/64/62/192626462.db2.gz BIDKTDBFGDOCNU-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000389984732 357079064 /nfs/dbraw/zinc/07/90/64/357079064.db2.gz LJOGETHPNYEUDO-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000390253073 357087869 /nfs/dbraw/zinc/08/78/69/357087869.db2.gz VDOYEDZLOUYLNI-UWVGGRQHSA-N 1 3 220.307 2.281 20 0 BEADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000423255431 192654967 /nfs/dbraw/zinc/65/49/67/192654967.db2.gz CBRLDXCQFSXJGX-NWDGAFQWSA-N 1 3 222.332 2.320 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000391456082 357130180 /nfs/dbraw/zinc/13/01/80/357130180.db2.gz JHTMPBHZVAIUHY-STQMWFEESA-N 1 3 222.376 2.426 20 0 BEADHO CC[C@H]1CCC[C@H](C[N@H+](C)CCCN)C1 ZINC000394504803 357363204 /nfs/dbraw/zinc/36/32/04/357363204.db2.gz FCASSFUWLJELPC-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@H]1CCC[C@H](C[N@@H+](C)CCCN)C1 ZINC000394504803 357363206 /nfs/dbraw/zinc/36/32/06/357363206.db2.gz FCASSFUWLJELPC-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@H]1CCC[C@H](CN(C)CCC[NH3+])C1 ZINC000394504803 357363207 /nfs/dbraw/zinc/36/32/07/357363207.db2.gz FCASSFUWLJELPC-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CCNCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000582779475 357390395 /nfs/dbraw/zinc/39/03/95/357390395.db2.gz IDSRKLFWKOZXFF-AWEZNQCLSA-N 1 3 249.402 2.382 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)CC(F)(F)F ZINC000396919801 357486618 /nfs/dbraw/zinc/48/66/18/357486618.db2.gz XUPDRWOPZDZLRH-LPEHRKFASA-N 1 3 238.297 2.434 20 0 BEADHO Cc1cnccc1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397487374 357515645 /nfs/dbraw/zinc/51/56/45/357515645.db2.gz WHIJTFVAPMHXQS-KYOSRNDESA-N 1 3 247.386 2.195 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000189930638 357676351 /nfs/dbraw/zinc/67/63/51/357676351.db2.gz LGTXDMMDFNTHKC-CYBMUJFWSA-N 1 3 244.423 2.057 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000189930638 357676352 /nfs/dbraw/zinc/67/63/52/357676352.db2.gz LGTXDMMDFNTHKC-CYBMUJFWSA-N 1 3 244.423 2.057 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000583316293 357898316 /nfs/dbraw/zinc/89/83/16/357898316.db2.gz FOGQWMHTUOMUTO-STQMWFEESA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CC[C@H]1C(C)C ZINC000583316293 357898319 /nfs/dbraw/zinc/89/83/19/357898319.db2.gz FOGQWMHTUOMUTO-STQMWFEESA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000583316292 357898358 /nfs/dbraw/zinc/89/83/58/357898358.db2.gz FOGQWMHTUOMUTO-QWHCGFSZSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CC[C@H]1C(C)C ZINC000583316292 357898361 /nfs/dbraw/zinc/89/83/61/357898361.db2.gz FOGQWMHTUOMUTO-QWHCGFSZSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000388621079 358182370 /nfs/dbraw/zinc/18/23/70/358182370.db2.gz HGSIIDFDJUXJJO-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000584848881 358208780 /nfs/dbraw/zinc/20/87/80/358208780.db2.gz ATNLSMRELIWWCA-OLZOCXBDSA-N 1 3 242.407 2.299 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000224969675 358242072 /nfs/dbraw/zinc/24/20/72/358242072.db2.gz KUSBPPIWHCNXCD-CHWSQXEVSA-N 1 3 228.380 2.051 20 0 BEADHO C[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000248956061 358333330 /nfs/dbraw/zinc/33/33/30/358333330.db2.gz BMYJMQAULLPXID-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000248956061 358333331 /nfs/dbraw/zinc/33/33/31/358333331.db2.gz BMYJMQAULLPXID-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000226878741 358346937 /nfs/dbraw/zinc/34/69/37/358346937.db2.gz PRFUTTUEDNVVQT-OCCSQVGLSA-N 1 3 218.344 2.307 20 0 BEADHO CCCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000173891605 134278594 /nfs/dbraw/zinc/27/85/94/134278594.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000173891605 134278595 /nfs/dbraw/zinc/27/85/95/134278595.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000173891605 134278596 /nfs/dbraw/zinc/27/85/96/134278596.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173891605 134278597 /nfs/dbraw/zinc/27/85/97/134278597.db2.gz FFTXQXQPLMJDOY-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc(OC(F)F)cc1 ZINC000131242918 358666824 /nfs/dbraw/zinc/66/68/24/358666824.db2.gz XXBJAKDOOOFXBK-VIFPVBQESA-N 1 3 244.285 2.115 20 0 BEADHO FCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000133774142 358767273 /nfs/dbraw/zinc/76/72/73/358767273.db2.gz LRHXNOIBNDIKER-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO FCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000133774142 358767274 /nfs/dbraw/zinc/76/72/74/358767274.db2.gz LRHXNOIBNDIKER-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO CC(C)Oc1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000136138101 358865252 /nfs/dbraw/zinc/86/52/52/358865252.db2.gz KSQJLJYDYLVRLM-GFCCVEGCSA-N 1 3 236.359 2.301 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000086404704 358968352 /nfs/dbraw/zinc/96/83/52/358968352.db2.gz SXPHMFZZMFGWJD-CHWSQXEVSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H](NCC1CC[NH+](C)CC1)c1nccs1 ZINC000070717655 359063429 /nfs/dbraw/zinc/06/34/29/359063429.db2.gz SRTBMXCABBLMPE-SNVBAGLBSA-N 1 3 239.388 2.136 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCCOC)C1 ZINC000247160914 359198201 /nfs/dbraw/zinc/19/82/01/359198201.db2.gz UDVZLZPBVDDEOP-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@]1(CN[C@@H](C)CC(C)(C)C)CCC[NH2+]1 ZINC000423413428 192748782 /nfs/dbraw/zinc/74/87/82/192748782.db2.gz KLIVBZCUPXNOFZ-GXTWGEPZSA-N 1 3 242.407 2.169 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)N)CC2 ZINC000423433332 192768065 /nfs/dbraw/zinc/76/80/65/192768065.db2.gz CDFWBGOGGGEWDB-IMSIIYSGSA-N 1 3 234.343 2.008 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CCO1 ZINC000423547643 192810095 /nfs/dbraw/zinc/81/00/95/192810095.db2.gz LOLMCLJUFKXLDE-DGAVXFQQSA-N 1 3 240.391 2.051 20 0 BEADHO COCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC1 ZINC000580451114 359558027 /nfs/dbraw/zinc/55/80/27/359558027.db2.gz YSFAMHVRGQZDLP-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO C[NH+](C)CC[C@@H](NC1CSC1)C(C)(C)C ZINC000309035912 491142998 /nfs/dbraw/zinc/14/29/98/491142998.db2.gz IAZVAQLNOOESHW-LLVKDONJSA-N 1 3 230.421 2.058 20 0 BEADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCNC2)c1 ZINC000088162166 359938706 /nfs/dbraw/zinc/93/87/06/359938706.db2.gz OAHXYTBTFKEGSJ-GXTWGEPZSA-N 1 3 218.344 2.398 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000088536899 359965905 /nfs/dbraw/zinc/96/59/05/359965905.db2.gz HDNZWWZZVXWBII-CHWSQXEVSA-N 1 3 212.381 2.306 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000088536899 359965909 /nfs/dbraw/zinc/96/59/09/359965909.db2.gz HDNZWWZZVXWBII-CHWSQXEVSA-N 1 3 212.381 2.306 20 0 BEADHO COc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089144605 359993195 /nfs/dbraw/zinc/99/31/95/359993195.db2.gz HGLJZYKPAIQEFO-DZGCQCFKSA-N 1 3 248.370 2.302 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000309323173 491146926 /nfs/dbraw/zinc/14/69/26/491146926.db2.gz FQTSLOLDAYQWLA-ZIAGYGMSSA-N 1 3 224.392 2.495 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOC1CCCCC1 ZINC000089150695 359993869 /nfs/dbraw/zinc/99/38/69/359993869.db2.gz WLEMJNDWGGERBG-GXTWGEPZSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000089150695 359993872 /nfs/dbraw/zinc/99/38/72/359993872.db2.gz WLEMJNDWGGERBG-GXTWGEPZSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000089148166 359994214 /nfs/dbraw/zinc/99/42/14/359994214.db2.gz NHXDNWLPYGAZEF-TZMCWYRMSA-N 1 3 236.334 2.085 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2CN)c1 ZINC000089150527 359994278 /nfs/dbraw/zinc/99/42/78/359994278.db2.gz ADWXGDFNDNTWQZ-LSDHHAIUSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@@H](CCN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000090320649 360069810 /nfs/dbraw/zinc/06/98/10/360069810.db2.gz ZBRDSZZLKCOBMI-CWRNSKLLSA-N 1 3 244.382 2.331 20 0 BEADHO COc1ccc2c(c1)[C@H](NCCC[NH3+])CCC2 ZINC000092383690 360165784 /nfs/dbraw/zinc/16/57/84/360165784.db2.gz YTRWCJHBFKXCSR-CQSZACIVSA-N 1 3 234.343 2.011 20 0 BEADHO CCOCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496273 360251554 /nfs/dbraw/zinc/25/15/54/360251554.db2.gz XGNGKMLKAWRKNJ-KBPBESRZSA-N 1 3 242.407 2.313 20 0 BEADHO COCCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516159 360256118 /nfs/dbraw/zinc/25/61/18/360256118.db2.gz SIJOKKXHBTZBHP-KGLIPLIRSA-N 1 3 242.407 2.313 20 0 BEADHO CCOCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093496275 360251390 /nfs/dbraw/zinc/25/13/90/360251390.db2.gz XGNGKMLKAWRKNJ-UONOGXRCSA-N 1 3 242.407 2.313 20 0 BEADHO CCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414925336 200782632 /nfs/dbraw/zinc/78/26/32/200782632.db2.gz LOUVAYPEQJWNGH-KGLIPLIRSA-N 1 3 248.370 2.445 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000629385200 361032538 /nfs/dbraw/zinc/03/25/38/361032538.db2.gz UJXFKIPLABSZAY-RYUDHWBXSA-N 1 3 222.376 2.439 20 0 BEADHO CCC1CCC([NH2+][C@@H]2CCN[C@H]2C)CC1 ZINC000629407186 361054540 /nfs/dbraw/zinc/05/45/40/361054540.db2.gz XBRAITDNHKIJHN-YWPUVAFDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000629521176 361117582 /nfs/dbraw/zinc/11/75/82/361117582.db2.gz RXKMVFQZIWZOOM-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCCC1 ZINC000629521176 361117585 /nfs/dbraw/zinc/11/75/85/361117585.db2.gz RXKMVFQZIWZOOM-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO CCO[C@H](C[N@@H+]1CCCC[C@@H]1CCN)C1CC1 ZINC000629531658 361148693 /nfs/dbraw/zinc/14/86/93/361148693.db2.gz SUIWLOSJSLONAX-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO CCO[C@H](C[N@H+]1CCCC[C@@H]1CCN)C1CC1 ZINC000629531658 361148695 /nfs/dbraw/zinc/14/86/95/361148695.db2.gz SUIWLOSJSLONAX-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO CCC(F)(F)C(C)(C)CN[C@@H](C)C1C[NH2+]C1 ZINC000629531380 361149322 /nfs/dbraw/zinc/14/93/22/361149322.db2.gz IXKBPSLZDWMYCE-VIFPVBQESA-N 1 3 234.334 2.255 20 0 BEADHO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000629531380 361149326 /nfs/dbraw/zinc/14/93/26/361149326.db2.gz IXKBPSLZDWMYCE-VIFPVBQESA-N 1 3 234.334 2.255 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccncc1 ZINC000424334280 200916022 /nfs/dbraw/zinc/91/60/22/200916022.db2.gz NSHWKZIDDKHHMB-RAIGVLPGSA-N 1 3 219.332 2.002 20 0 BEADHO Cc1cccc([C@H](C)[NH2+]CC2(N)CCOCC2)c1 ZINC000629524228 361122973 /nfs/dbraw/zinc/12/29/73/361122973.db2.gz OMBOFGAIFLFZPT-ZDUSSCGKSA-N 1 3 248.370 2.154 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043843 370675355 /nfs/dbraw/zinc/67/53/55/370675355.db2.gz NNAKMAUQVPWRGI-DCAQKATOSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000579328734 366759652 /nfs/dbraw/zinc/75/96/52/366759652.db2.gz PBPKENYUYYPVQY-WZRBSPASSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000579328734 366759655 /nfs/dbraw/zinc/75/96/55/366759655.db2.gz PBPKENYUYYPVQY-WZRBSPASSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000629543803 361412845 /nfs/dbraw/zinc/41/28/45/361412845.db2.gz BQULZLDWYBGSAW-YFKTTZPYSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000629543862 361413264 /nfs/dbraw/zinc/41/32/64/361413264.db2.gz CRHZMDNFLKFJAE-CYZMBNFOSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCC1 ZINC000629543862 361413268 /nfs/dbraw/zinc/41/32/68/361413268.db2.gz CRHZMDNFLKFJAE-CYZMBNFOSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000629544260 361422906 /nfs/dbraw/zinc/42/29/06/361422906.db2.gz HENDHUWBVRWUGS-RVMXOQNASA-N 1 3 228.355 2.245 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000629544259 361422934 /nfs/dbraw/zinc/42/29/34/361422934.db2.gz HENDHUWBVRWUGS-LOWDOPEQSA-N 1 3 228.355 2.245 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629545685 361426993 /nfs/dbraw/zinc/42/69/93/361426993.db2.gz QAZFMBQVELFISU-WRWGMCAJSA-N 1 3 210.365 2.151 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555202 361446338 /nfs/dbraw/zinc/44/63/38/361446338.db2.gz RVCYJYJWITTZBO-AVGNSLFASA-N 1 3 222.376 2.284 20 0 BEADHO Cc1ccsc1[C@H](C)NCCOCCC[NH3+] ZINC000629541579 361416418 /nfs/dbraw/zinc/41/64/18/361416418.db2.gz RIFCMSSMPJGITO-NSHDSACASA-N 1 3 242.388 2.073 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000629544253 361418468 /nfs/dbraw/zinc/41/84/68/361418468.db2.gz IIWKAHOULRMUQK-CMPLNLGQSA-N 1 3 208.349 2.049 20 0 BEADHO C/C=C\C[C@H]1CCCN(CCC[NH2+]C)C1 ZINC000629595400 361481890 /nfs/dbraw/zinc/48/18/90/361481890.db2.gz ONENBHOHVPJBQP-SCOBNMCVSA-N 1 3 210.365 2.274 20 0 BEADHO COCc1ccc(CN[C@H](C)CCCC[NH3+])o1 ZINC000629649204 361543129 /nfs/dbraw/zinc/54/31/29/361543129.db2.gz MAFMOISWFRIONP-LLVKDONJSA-N 1 3 240.347 2.033 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@@H](C)C(C)(C)C ZINC000629653611 361553090 /nfs/dbraw/zinc/55/30/90/361553090.db2.gz KQWACEXRIKQCDH-GRYCIOLGSA-N 1 3 212.381 2.399 20 0 BEADHO CC1(C[NH2+][C@@H]2CCNC23CCC3)CCC1 ZINC000629651173 361556264 /nfs/dbraw/zinc/55/62/64/361556264.db2.gz KSJVTQHYFRXFBC-LLVKDONJSA-N 1 3 208.349 2.051 20 0 BEADHO [NH3+]CCCOCCNCc1ccc(C2CC2)cc1 ZINC000629679744 361602217 /nfs/dbraw/zinc/60/22/17/361602217.db2.gz NLOILQOPSICDKI-UHFFFAOYSA-N 1 3 248.370 2.019 20 0 BEADHO CCCN1CC[C@H](C[NH2+]CC(C)(C)C)C1 ZINC000163800764 361579399 /nfs/dbraw/zinc/57/93/99/361579399.db2.gz KDMLGBXXXIQIKZ-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000629672444 361613879 /nfs/dbraw/zinc/61/38/79/361613879.db2.gz SDVACCIKBVSEIY-WUHRBBMRSA-N 1 3 210.365 2.153 20 0 BEADHO CCCc1cccc(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000435368854 201265100 /nfs/dbraw/zinc/26/51/00/201265100.db2.gz JLIQTFIXPGMBCB-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO C[C@@H](Cc1ccccc1)CN1CCC[C@@H]1C[NH3+] ZINC000435370284 201266537 /nfs/dbraw/zinc/26/65/37/201266537.db2.gz HZWIENKBJAPESN-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000437771096 201372692 /nfs/dbraw/zinc/37/26/92/201372692.db2.gz GSVFCTLJGAUSLQ-CABCVRRESA-N 1 3 232.371 2.336 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCNc2ccccc2)C1 ZINC000573742775 364907706 /nfs/dbraw/zinc/90/77/06/364907706.db2.gz ZBMBYCGPSUHOLH-DZGCQCFKSA-N 1 3 247.386 2.348 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCNc2ccccc2)C1 ZINC000573742778 364907770 /nfs/dbraw/zinc/90/77/70/364907770.db2.gz ZBMBYCGPSUHOLH-ZFWWWQNUSA-N 1 3 247.386 2.348 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](N)C[C@@H]2C)cc1 ZINC000573931523 364949601 /nfs/dbraw/zinc/94/96/01/364949601.db2.gz XAIWMECWOHUNQY-ZFWWWQNUSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](N)C[C@@H]2C)cc1 ZINC000573931523 364949605 /nfs/dbraw/zinc/94/96/05/364949605.db2.gz XAIWMECWOHUNQY-ZFWWWQNUSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](N)C[C@@H]2C)cc1 ZINC000573931520 364949855 /nfs/dbraw/zinc/94/98/55/364949855.db2.gz XAIWMECWOHUNQY-DZGCQCFKSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](N)C[C@@H]2C)cc1 ZINC000573931520 364949861 /nfs/dbraw/zinc/94/98/61/364949861.db2.gz XAIWMECWOHUNQY-DZGCQCFKSA-N 1 3 232.371 2.349 20 0 BEADHO [NH3+]CCCN1CCC2(CCCCC2)CC1 ZINC000061818690 181380161 /nfs/dbraw/zinc/38/01/61/181380161.db2.gz DPLPNDCCIKBETB-UHFFFAOYSA-N 1 3 210.365 2.382 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000575989225 365437602 /nfs/dbraw/zinc/43/76/02/365437602.db2.gz XILGATKOSNNGGP-NDBYEHHHSA-N 1 3 228.355 2.245 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]CCCNC(C)C ZINC000579822399 367023655 /nfs/dbraw/zinc/02/36/55/367023655.db2.gz IBQBBTGAOAICQE-RYUDHWBXSA-N 1 3 200.370 2.399 20 0 BEADHO c1ccc(CC[N@@H+]2CCC[C@H]3CNCC[C@@H]32)cc1 ZINC000631887133 370833990 /nfs/dbraw/zinc/83/39/90/370833990.db2.gz OCGUHYSEZDXCRR-HOTGVXAUSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CC[N@H+]2CCC[C@H]3CNCC[C@@H]32)cc1 ZINC000631887133 370833994 /nfs/dbraw/zinc/83/39/94/370833994.db2.gz OCGUHYSEZDXCRR-HOTGVXAUSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CCN2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887133 370833995 /nfs/dbraw/zinc/83/39/95/370833995.db2.gz OCGUHYSEZDXCRR-HOTGVXAUSA-N 1 3 244.382 2.303 20 0 BEADHO CC[NH2+]CCCN[C@H]1C[C@H](OC)C1(CC)CC ZINC000580827657 367177846 /nfs/dbraw/zinc/17/78/46/367177846.db2.gz XVQJCRUDGDTDGA-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2cccnc2)C2CC2)C1 ZINC000581143655 367276832 /nfs/dbraw/zinc/27/68/32/367276832.db2.gz XLGILDHLVTYSNR-KFWWJZLASA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)[C@H]1CC2CCC1CC2 ZINC000382203940 367497688 /nfs/dbraw/zinc/49/76/88/367497688.db2.gz SBCVHUPVBMGWSG-YOMYCBHVSA-N 1 3 222.376 2.153 20 0 BEADHO CN(CCC[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000382082206 367484291 /nfs/dbraw/zinc/48/42/91/367484291.db2.gz QETKVUHLYNSTPP-KBPBESRZSA-N 1 3 218.344 2.071 20 0 BEADHO C[N@H+](CCCN)C[C@@H]1C[C@H]1c1ccccc1 ZINC000382082206 367484298 /nfs/dbraw/zinc/48/42/98/367484298.db2.gz QETKVUHLYNSTPP-KBPBESRZSA-N 1 3 218.344 2.071 20 0 BEADHO C[N@@H+](CCCN)C[C@@H]1C[C@H]1c1ccccc1 ZINC000382082206 367484305 /nfs/dbraw/zinc/48/43/05/367484305.db2.gz QETKVUHLYNSTPP-KBPBESRZSA-N 1 3 218.344 2.071 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)[C@@H]1CC2CCC1CC2 ZINC000382203936 367498411 /nfs/dbraw/zinc/49/84/11/367498411.db2.gz SBCVHUPVBMGWSG-ASUPZPJHSA-N 1 3 222.376 2.153 20 0 BEADHO CC[NH+]1CCC(CCNCC2(F)CC2)CC1 ZINC000381744440 367453392 /nfs/dbraw/zinc/45/33/92/367453392.db2.gz PSFROQNAFWLGBH-UHFFFAOYSA-N 1 3 228.355 2.200 20 0 BEADHO C[C@@H]([NH2+]CCCNC1CC1)C1CCCC1 ZINC000382577154 367543605 /nfs/dbraw/zinc/54/36/05/367543605.db2.gz BEYCPGPRZVOEHM-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN(C)C ZINC000382366853 367512769 /nfs/dbraw/zinc/51/27/69/367512769.db2.gz WQBGUGOUMOJDAY-XQQFMLRXSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC1(C)C ZINC000399124837 367596110 /nfs/dbraw/zinc/59/61/10/367596110.db2.gz JMCSZRLBWOOJHV-RHYQMDGZSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](CC(C)(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000384512705 367694823 /nfs/dbraw/zinc/69/48/23/367694823.db2.gz HOXLCTAGFRESIV-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C/C=C/CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384731852 367721719 /nfs/dbraw/zinc/72/17/19/367721719.db2.gz JVAYRUGJWSTPJC-CDJBXZAQSA-N 1 3 210.365 2.463 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000227084614 181433525 /nfs/dbraw/zinc/43/35/25/181433525.db2.gz DUKTYZWRNQUQGG-ARFHVFGLSA-N 1 3 244.382 2.261 20 0 BEADHO CSCC1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC000385810970 367867222 /nfs/dbraw/zinc/86/72/22/367867222.db2.gz IEKAOKYINLXAPX-UNXYVOJBSA-N 1 3 230.421 2.093 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)[C@H]1C ZINC000385617899 367847365 /nfs/dbraw/zinc/84/73/65/367847365.db2.gz ICDWINKKKHJHTB-MLGHIDQZSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H](N[C@H]1CC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386103617 367912672 /nfs/dbraw/zinc/91/26/72/367912672.db2.gz KFOXVTHZSOXRRX-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](N[C@@H]1CCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000386129364 367915423 /nfs/dbraw/zinc/91/54/23/367915423.db2.gz OHHNMWGJKIJTPJ-QJPTWQEYSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386451710 367976307 /nfs/dbraw/zinc/97/63/07/367976307.db2.gz OAPAHCAZBHSMTQ-KGLIPLIRSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)OCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386476569 367979180 /nfs/dbraw/zinc/97/91/80/367979180.db2.gz RIVRHRYZKDOFQG-KBPBESRZSA-N 1 3 242.407 2.312 20 0 BEADHO CC[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@@H](C)O ZINC000386835786 368026088 /nfs/dbraw/zinc/02/60/88/368026088.db2.gz IOKZGIZXRVLWKV-MQYQWHSLSA-N 1 3 242.407 2.046 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000387155249 368072169 /nfs/dbraw/zinc/07/21/69/368072169.db2.gz QAVXEBPTMQLYIX-QJPTWQEYSA-N 1 3 208.349 2.036 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000083390740 368771982 /nfs/dbraw/zinc/77/19/82/368771982.db2.gz HEWSJGGECOMNGV-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cccs2)C1 ZINC000086402012 368880313 /nfs/dbraw/zinc/88/03/13/368880313.db2.gz KCILGDIMEMQHAH-GHMZBOCLSA-N 1 3 224.373 2.150 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000086402012 368880314 /nfs/dbraw/zinc/88/03/14/368880314.db2.gz KCILGDIMEMQHAH-GHMZBOCLSA-N 1 3 224.373 2.150 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000623656993 368997264 /nfs/dbraw/zinc/99/72/64/368997264.db2.gz HHZAHOAAHCZMRE-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000623657114 368998152 /nfs/dbraw/zinc/99/81/52/368998152.db2.gz KASYQPNCMNYYIV-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000623655835 368991162 /nfs/dbraw/zinc/99/11/62/368991162.db2.gz GZPJSKKWKHMYDS-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839061 369123922 /nfs/dbraw/zinc/12/39/22/369123922.db2.gz ZJCXDUNNDPNVOU-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839061 369123928 /nfs/dbraw/zinc/12/39/28/369123928.db2.gz ZJCXDUNNDPNVOU-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839061 369123931 /nfs/dbraw/zinc/12/39/31/369123931.db2.gz ZJCXDUNNDPNVOU-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631840943 369340296 /nfs/dbraw/zinc/34/02/96/369340296.db2.gz WQTONGNTXKWMFM-XJKSGUPXSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631840943 369340298 /nfs/dbraw/zinc/34/02/98/369340298.db2.gz WQTONGNTXKWMFM-XJKSGUPXSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CCN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631840943 369340300 /nfs/dbraw/zinc/34/03/00/369340300.db2.gz WQTONGNTXKWMFM-XJKSGUPXSA-N 1 3 246.398 2.318 20 0 BEADHO Cc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459732737 203344432 /nfs/dbraw/zinc/34/44/32/203344432.db2.gz MTTNCEFQVMZDPM-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459732737 203344436 /nfs/dbraw/zinc/34/44/36/203344436.db2.gz MTTNCEFQVMZDPM-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO CCOc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252754357 370122791 /nfs/dbraw/zinc/12/27/91/370122791.db2.gz BAXMBCKYOZUBNV-JSGCOSHPSA-N 1 3 248.370 2.254 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000309635125 370237638 /nfs/dbraw/zinc/23/76/38/370237638.db2.gz MBNKKXNVLFCJNE-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000621384336 370328369 /nfs/dbraw/zinc/32/83/69/370328369.db2.gz CCIHNBZXGNMDBN-PQAZSJQKSA-N 1 3 222.376 2.249 20 0 BEADHO [NH3+][C@@]12CCC[C@@H]1CN(CCC1CCCC1)C2 ZINC000621781271 370529936 /nfs/dbraw/zinc/52/99/36/370529936.db2.gz BOANVBXGJBODHR-ZIAGYGMSSA-N 1 3 222.376 2.380 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@H+](C)CCCN ZINC000568983397 326384484 /nfs/dbraw/zinc/38/44/84/326384484.db2.gz IAQJNLOSKYOPEP-ZDUSSCGKSA-N 1 3 220.360 2.146 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@@H+](C)CCCN ZINC000568983397 326384486 /nfs/dbraw/zinc/38/44/86/326384486.db2.gz IAQJNLOSKYOPEP-ZDUSSCGKSA-N 1 3 220.360 2.146 20 0 BEADHO C[C@@H](Cc1ccccc1)CN(C)CCC[NH3+] ZINC000568983397 326384487 /nfs/dbraw/zinc/38/44/87/326384487.db2.gz IAQJNLOSKYOPEP-ZDUSSCGKSA-N 1 3 220.360 2.146 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000624120919 371321673 /nfs/dbraw/zinc/32/16/73/371321673.db2.gz KFEQJKZWLXQMES-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccncc1 ZINC000624122644 371323541 /nfs/dbraw/zinc/32/35/41/371323541.db2.gz XNAKRCPUCLYEIP-KBPBESRZSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@@H]1C ZINC000624124122 371325125 /nfs/dbraw/zinc/32/51/25/371325125.db2.gz XTDSHSXYNFRKQQ-SYQHCUMBSA-N 1 3 224.392 2.352 20 0 BEADHO C/C=C\CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000624199678 371391412 /nfs/dbraw/zinc/39/14/12/371391412.db2.gz VLZLVMVKNOOHOW-LBRDAYAISA-N 1 3 208.349 2.025 20 0 BEADHO C/C=C\CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000624199678 371391414 /nfs/dbraw/zinc/39/14/14/371391414.db2.gz VLZLVMVKNOOHOW-LBRDAYAISA-N 1 3 208.349 2.025 20 0 BEADHO C[C@@H]1OCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000134203724 372179795 /nfs/dbraw/zinc/17/97/95/372179795.db2.gz YFFZSPSKQKTXJO-AAEUAGOBSA-N 1 3 240.391 2.016 20 0 BEADHO N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC000405376886 372156737 /nfs/dbraw/zinc/15/67/37/372156737.db2.gz BQCBAMXXVGRKBG-QWHCGFSZSA-N 1 3 216.328 2.046 20 0 BEADHO Cc1cc(C)c(CN2C[C@H](C[NH3+])C[C@H]2C)c(C)n1 ZINC000631822441 372598567 /nfs/dbraw/zinc/59/85/67/372598567.db2.gz DETYDOCUIBQAKA-OCCSQVGLSA-N 1 3 247.386 2.176 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000631829877 372612613 /nfs/dbraw/zinc/61/26/13/372612613.db2.gz CLTHGTRRPQQNHL-TUAOUCFPSA-N 1 3 244.329 2.235 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000631829877 372612617 /nfs/dbraw/zinc/61/26/17/372612617.db2.gz CLTHGTRRPQQNHL-TUAOUCFPSA-N 1 3 244.329 2.235 20 0 BEADHO FCCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000631836915 372625055 /nfs/dbraw/zinc/62/50/55/372625055.db2.gz JJSGVSOEQQZWTN-ZDUSSCGKSA-N 1 3 228.355 2.058 20 0 BEADHO FCCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000631836915 372625062 /nfs/dbraw/zinc/62/50/62/372625062.db2.gz JJSGVSOEQQZWTN-ZDUSSCGKSA-N 1 3 228.355 2.058 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000631837646 372629472 /nfs/dbraw/zinc/62/94/72/372629472.db2.gz DMPVVFJVZVNNRC-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)cc1C ZINC000631837646 372629482 /nfs/dbraw/zinc/62/94/82/372629482.db2.gz DMPVVFJVZVNNRC-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)cc1C ZINC000631837646 372629487 /nfs/dbraw/zinc/62/94/87/372629487.db2.gz DMPVVFJVZVNNRC-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CN ZINC000631839947 372635965 /nfs/dbraw/zinc/63/59/65/372635965.db2.gz NEVFXQZDWVQKFL-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CN ZINC000631839947 372635971 /nfs/dbraw/zinc/63/59/71/372635971.db2.gz NEVFXQZDWVQKFL-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO Cc1cccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843883 372641385 /nfs/dbraw/zinc/64/13/85/372641385.db2.gz STYARPQHRUTRHL-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)c1 ZINC000631843883 372641389 /nfs/dbraw/zinc/64/13/89/372641389.db2.gz STYARPQHRUTRHL-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)c1 ZINC000631843883 372641393 /nfs/dbraw/zinc/64/13/93/372641393.db2.gz STYARPQHRUTRHL-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO C([C@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCC2)CC1 ZINC000631873776 372675427 /nfs/dbraw/zinc/67/54/27/372675427.db2.gz WBCADJVWECMQBS-DZGCQCFKSA-N 1 3 236.403 2.498 20 0 BEADHO CN(C)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000172189508 372900928 /nfs/dbraw/zinc/90/09/28/372900928.db2.gz UUXZVKDFMGXJEI-CYBMUJFWSA-N 1 3 208.349 2.121 20 0 BEADHO CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246559600 374274150 /nfs/dbraw/zinc/27/41/50/374274150.db2.gz KUKRNAUGFUSGAA-JSGCOSHPSA-N 1 3 222.376 2.345 20 0 BEADHO CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246559600 374274154 /nfs/dbraw/zinc/27/41/54/374274154.db2.gz KUKRNAUGFUSGAA-JSGCOSHPSA-N 1 3 222.376 2.345 20 0 BEADHO CC(C)(C)CC[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397764 134306634 /nfs/dbraw/zinc/30/66/34/134306634.db2.gz PQWKLFZYNVQFFC-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)(C)CC[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397764 134306635 /nfs/dbraw/zinc/30/66/35/134306635.db2.gz PQWKLFZYNVQFFC-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO CCC[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000355144110 169187817 /nfs/dbraw/zinc/18/78/17/169187817.db2.gz CJUNFLHXLSMBDI-UHFFFAOYSA-N 1 3 246.345 2.496 20 0 BEADHO CCCN1CCC([NH2+]Cc2ccc(C)nc2)CC1 ZINC000062051114 169188424 /nfs/dbraw/zinc/18/84/24/169188424.db2.gz UAWPEJPMOKWRLZ-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CCC[NH+]1CCC(N[C@@H](C)COC(C)C)CC1 ZINC000337337856 169189585 /nfs/dbraw/zinc/18/95/85/169189585.db2.gz NEVPHWVJLFNPCB-ZDUSSCGKSA-N 1 3 242.407 2.264 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C2CC(CC)C2)C1 ZINC000336779298 169206551 /nfs/dbraw/zinc/20/65/51/169206551.db2.gz NWVPPYRPJVSWCT-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336781278 169206671 /nfs/dbraw/zinc/20/66/71/169206671.db2.gz UFNCUIPRWCHFME-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000033465880 169268433 /nfs/dbraw/zinc/26/84/33/169268433.db2.gz NSXQHTYIRMWQRW-UHFFFAOYSA-N 1 3 236.359 2.127 20 0 BEADHO CCC[C@@H](C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539759 169358053 /nfs/dbraw/zinc/35/80/53/169358053.db2.gz CMAJSUOCDKYPOS-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000235234611 383871526 /nfs/dbraw/zinc/87/15/26/383871526.db2.gz NIVIQGCIOSYNSZ-YVECIDJPSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccs2)C1 ZINC000069626873 383834441 /nfs/dbraw/zinc/83/44/41/383834441.db2.gz YWUQWTDDWTUTAH-MNOVXSKESA-N 1 3 224.373 2.307 20 0 BEADHO C[C@H]1OCC[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119892140 383913267 /nfs/dbraw/zinc/91/32/67/383913267.db2.gz KZUBRNOTIIBNDQ-ZYHUDNBSSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@H]1OCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000119892140 383913269 /nfs/dbraw/zinc/91/32/69/383913269.db2.gz KZUBRNOTIIBNDQ-ZYHUDNBSSA-N 1 3 240.391 2.063 20 0 BEADHO COC1(CN(C)CCC[NH+](C)C)CCCCC1 ZINC000558416531 383993201 /nfs/dbraw/zinc/99/32/01/383993201.db2.gz XMOOGBBZMNVRNH-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000235876985 384021108 /nfs/dbraw/zinc/02/11/08/384021108.db2.gz SZTGHIXVHJQNCL-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(CN)C2)c1 ZINC000235876985 384021112 /nfs/dbraw/zinc/02/11/12/384021112.db2.gz SZTGHIXVHJQNCL-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@](C)(CN)C2)c1 ZINC000235876985 384021120 /nfs/dbraw/zinc/02/11/20/384021120.db2.gz SZTGHIXVHJQNCL-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235876918 384021444 /nfs/dbraw/zinc/02/14/44/384021444.db2.gz SZTGHIXVHJQNCL-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(CN)C2)c1 ZINC000235876918 384021447 /nfs/dbraw/zinc/02/14/47/384021447.db2.gz SZTGHIXVHJQNCL-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@@](C)(CN)C2)c1 ZINC000235876918 384021453 /nfs/dbraw/zinc/02/14/53/384021453.db2.gz SZTGHIXVHJQNCL-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO C1CC1C([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643546529 384014490 /nfs/dbraw/zinc/01/44/90/384014490.db2.gz QFLOIVDLVGRIPS-CYBMUJFWSA-N 1 3 234.387 2.439 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564973523 384053587 /nfs/dbraw/zinc/05/35/87/384053587.db2.gz NRQKIIISPOKHPD-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564973523 384053591 /nfs/dbraw/zinc/05/35/91/384053591.db2.gz NRQKIIISPOKHPD-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000235886325 384029752 /nfs/dbraw/zinc/02/97/52/384029752.db2.gz PMEDIVMXDBBAEA-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000235886325 384029754 /nfs/dbraw/zinc/02/97/54/384029754.db2.gz PMEDIVMXDBBAEA-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000235886325 384029759 /nfs/dbraw/zinc/02/97/59/384029759.db2.gz PMEDIVMXDBBAEA-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@@H]1C ZINC000643548786 384037642 /nfs/dbraw/zinc/03/76/42/384037642.db2.gz VEQKJTLVHHFPMI-NDBYEHHHSA-N 1 3 222.376 2.295 20 0 BEADHO CNCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000309636651 384184876 /nfs/dbraw/zinc/18/48/76/384184876.db2.gz MYGIERPFAZSWBT-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO CNCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000309636651 384184880 /nfs/dbraw/zinc/18/48/80/384184880.db2.gz MYGIERPFAZSWBT-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)[C@@H](C)O1 ZINC000449178573 384205444 /nfs/dbraw/zinc/20/54/44/384205444.db2.gz XPNPLKVPIHHRMZ-POQQGIQPSA-N 1 3 240.391 2.015 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)O1 ZINC000449178573 384205448 /nfs/dbraw/zinc/20/54/48/384205448.db2.gz XPNPLKVPIHHRMZ-POQQGIQPSA-N 1 3 240.391 2.015 20 0 BEADHO Cc1cc(C)cc(C[N@@H+](C)C2CCNCC2)c1 ZINC000036300612 384234003 /nfs/dbraw/zinc/23/40/03/384234003.db2.gz SLHVHNAGUUNJRO-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cc(C)cc(C[N@H+](C)C2CCNCC2)c1 ZINC000036300612 384234007 /nfs/dbraw/zinc/23/40/07/384234007.db2.gz SLHVHNAGUUNJRO-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1CC1 ZINC000422916859 384214099 /nfs/dbraw/zinc/21/40/99/384214099.db2.gz BSLZCPCOMBDPGZ-SNVBAGLBSA-N 1 3 233.359 2.299 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000082651676 384251104 /nfs/dbraw/zinc/25/11/04/384251104.db2.gz NZODXSLISIWFCF-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000082651676 384251111 /nfs/dbraw/zinc/25/11/11/384251111.db2.gz NZODXSLISIWFCF-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700118 384252123 /nfs/dbraw/zinc/25/21/23/384252123.db2.gz PJECVSPMODDHMB-LXTVHRRPSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000082645630 384253138 /nfs/dbraw/zinc/25/31/38/384253138.db2.gz YACRAAHCUORGQV-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645630 384253141 /nfs/dbraw/zinc/25/31/41/384253141.db2.gz YACRAAHCUORGQV-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@](C)(C[NH2+]C[C@H](C)CN1CCCC1)OC ZINC000319536618 384254034 /nfs/dbraw/zinc/25/40/34/384254034.db2.gz AXNBFQLWKBSQPC-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@](C)(CNC[C@H](C)C[NH+]1CCCC1)OC ZINC000319536618 384254038 /nfs/dbraw/zinc/25/40/38/384254038.db2.gz AXNBFQLWKBSQPC-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000319502730 384256946 /nfs/dbraw/zinc/25/69/46/384256946.db2.gz JEDBJFRVNMTNAK-NEPJUHHUSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000228471953 384257192 /nfs/dbraw/zinc/25/71/92/384257192.db2.gz CJUGFXOBRUGASE-BPLDGKMQSA-N 1 3 248.345 2.385 20 0 BEADHO CC(C)N(CCC[NH3+])Cc1ccccc1 ZINC000011953195 384304728 /nfs/dbraw/zinc/30/47/28/384304728.db2.gz BDHPJWSPJJFUKH-UHFFFAOYSA-N 1 3 206.333 2.246 20 0 BEADHO CCCN(CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000179422377 384289737 /nfs/dbraw/zinc/28/97/37/384289737.db2.gz VZPCDRCBSABSDQ-GFCCVEGCSA-N 1 3 210.365 2.345 20 0 BEADHO CCCN(CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000179422377 384289743 /nfs/dbraw/zinc/28/97/43/384289743.db2.gz VZPCDRCBSABSDQ-GFCCVEGCSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000159042119 384296992 /nfs/dbraw/zinc/29/69/92/384296992.db2.gz FCODEVGEWKTVMJ-STQMWFEESA-N 1 3 245.370 2.296 20 0 BEADHO C[C@@H]1C[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000401979192 384361354 /nfs/dbraw/zinc/36/13/54/384361354.db2.gz ZJRACUSDOSFLLY-GHMZBOCLSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CO1 ZINC000401979192 384361356 /nfs/dbraw/zinc/36/13/56/384361356.db2.gz ZJRACUSDOSFLLY-GHMZBOCLSA-N 1 3 240.391 2.063 20 0 BEADHO COCC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000045037481 384372177 /nfs/dbraw/zinc/37/21/77/384372177.db2.gz ABVYPXZFGVKVDP-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1ccc(F)cn1 ZINC000133999778 384325779 /nfs/dbraw/zinc/32/57/79/384325779.db2.gz SKHCCSZKYHSLTB-NSHDSACASA-N 1 3 239.338 2.213 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCc1ccccc1 ZINC000405431071 384330987 /nfs/dbraw/zinc/33/09/87/384330987.db2.gz AXRFRLMRLQEOND-KBPBESRZSA-N 1 3 232.371 2.335 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCN[C@H]2C)s1 ZINC000335641801 384414020 /nfs/dbraw/zinc/41/40/20/384414020.db2.gz FBOMCOGRGQHBHH-CMPLNLGQSA-N 1 3 224.373 2.287 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC(F)F ZINC000647227017 384438128 /nfs/dbraw/zinc/43/81/28/384438128.db2.gz MHPXLQQJUSHISC-SDDRHHMPSA-N 1 3 246.345 2.494 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229214939 384461447 /nfs/dbraw/zinc/46/14/47/384461447.db2.gz YNTCHCNKBTXALB-STQMWFEESA-N 1 3 242.432 2.237 20 0 BEADHO Cc1ccsc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122726027 384505449 /nfs/dbraw/zinc/50/54/49/384505449.db2.gz LMTAIAIPRNSLKO-RYUDHWBXSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccsc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000122726027 384505451 /nfs/dbraw/zinc/50/54/51/384505451.db2.gz LMTAIAIPRNSLKO-RYUDHWBXSA-N 1 3 238.400 2.486 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000397341845 384508154 /nfs/dbraw/zinc/50/81/54/384508154.db2.gz QMLDXLZKVPFHIC-VXGBXAGGSA-N 1 3 230.421 2.093 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000423081066 384552622 /nfs/dbraw/zinc/55/26/22/384552622.db2.gz AZUGCOSXVPOMGW-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccncc1 ZINC000019905772 384556661 /nfs/dbraw/zinc/55/66/61/384556661.db2.gz TXIUARBZNMHFNA-GFCCVEGCSA-N 1 3 235.375 2.320 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000309728990 384559115 /nfs/dbraw/zinc/55/91/15/384559115.db2.gz ZABOWUIHRNPWNX-VXGBXAGGSA-N 1 3 242.432 2.344 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]CCCN1CCCC[C@H]1C ZINC000309732272 384572733 /nfs/dbraw/zinc/57/27/33/384572733.db2.gz BLMSQLBBNLNNAT-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040621547 384589498 /nfs/dbraw/zinc/58/94/98/384589498.db2.gz AFXVSPFALRJPHW-STQMWFEESA-N 1 3 212.381 2.351 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)n1 ZINC000423087187 384564830 /nfs/dbraw/zinc/56/48/30/384564830.db2.gz OYTOHPRLWLQLLY-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423087187 384564837 /nfs/dbraw/zinc/56/48/37/384564837.db2.gz OYTOHPRLWLQLLY-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000568248687 384622868 /nfs/dbraw/zinc/62/28/68/384622868.db2.gz XWIVASLKZZZUOQ-NJMOYASZSA-N 1 3 208.349 2.035 20 0 BEADHO CC(C)(CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000647535594 384651764 /nfs/dbraw/zinc/65/17/64/384651764.db2.gz VMMYBKDQLXDCAU-OKILXGFUSA-N 1 3 244.382 2.115 20 0 BEADHO CCCCOCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000160195291 384655675 /nfs/dbraw/zinc/65/56/75/384655675.db2.gz CKBMTGPZEUQJNU-ZIAGYGMSSA-N 1 3 242.407 2.300 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300358199 384683435 /nfs/dbraw/zinc/68/34/35/384683435.db2.gz CTXGMSAWONUCHY-BBBLOLIVSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300358199 384683439 /nfs/dbraw/zinc/68/34/39/384683439.db2.gz CTXGMSAWONUCHY-BBBLOLIVSA-N 1 3 238.297 2.400 20 0 BEADHO FC1(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543747 384713472 /nfs/dbraw/zinc/71/34/72/384713472.db2.gz RPJHQPHJYKERLV-QWHCGFSZSA-N 1 3 240.366 2.200 20 0 BEADHO CCSCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000300968118 384740010 /nfs/dbraw/zinc/74/00/10/384740010.db2.gz RNEGOWBMCJJMOR-RYUDHWBXSA-N 1 3 230.421 2.237 20 0 BEADHO C[C@]1(CN2CC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552013 384757898 /nfs/dbraw/zinc/75/78/98/384757898.db2.gz AHNDZPNZLLLZIB-KBPBESRZSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2cnccc21 ZINC000647552023 384758823 /nfs/dbraw/zinc/75/88/23/384758823.db2.gz AOADMBAAVFLLTI-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1ccoc1 ZINC000087290124 384759306 /nfs/dbraw/zinc/75/93/06/384759306.db2.gz YSXFEKFVJRTHMP-NSHDSACASA-N 1 3 210.321 2.272 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1ccoc1 ZINC000087290125 384761069 /nfs/dbraw/zinc/76/10/69/384761069.db2.gz YSXFEKFVJRTHMP-LLVKDONJSA-N 1 3 210.321 2.272 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423220343 384780187 /nfs/dbraw/zinc/78/01/87/384780187.db2.gz YCQYVZZYHGJRFX-RWMBFGLXSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([C@H](C)N)C1 ZINC000301013745 384829930 /nfs/dbraw/zinc/82/99/30/384829930.db2.gz ZEZNXFMIMGGYOE-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)N)C1 ZINC000301013745 384829934 /nfs/dbraw/zinc/82/99/34/384829934.db2.gz ZEZNXFMIMGGYOE-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000105480646 384784037 /nfs/dbraw/zinc/78/40/37/384784037.db2.gz JPRHVNFZRMBVTD-GXFFZTMASA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000105480646 384784047 /nfs/dbraw/zinc/78/40/47/384784047.db2.gz JPRHVNFZRMBVTD-GXFFZTMASA-N 1 3 238.400 2.486 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H](C)CC[NH+](C)C ZINC000336757410 384871677 /nfs/dbraw/zinc/87/16/77/384871677.db2.gz YYWCOSMDHKRVFQ-NWDGAFQWSA-N 1 3 224.348 2.140 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000335262129 384879464 /nfs/dbraw/zinc/87/94/64/384879464.db2.gz DSNKOKMUHGGWAI-DGCLKSJQSA-N 1 3 238.400 2.473 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000335262129 384879468 /nfs/dbraw/zinc/87/94/68/384879468.db2.gz DSNKOKMUHGGWAI-DGCLKSJQSA-N 1 3 238.400 2.473 20 0 BEADHO Cc1ccsc1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335262129 384879475 /nfs/dbraw/zinc/87/94/75/384879475.db2.gz DSNKOKMUHGGWAI-DGCLKSJQSA-N 1 3 238.400 2.473 20 0 BEADHO Cc1ccncc1[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423363737 384842776 /nfs/dbraw/zinc/84/27/76/384842776.db2.gz AGXGGRYEJPPPIL-AVGNSLFASA-N 1 3 233.359 2.311 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1C[C@H]1C ZINC000423370254 384843033 /nfs/dbraw/zinc/84/30/33/384843033.db2.gz PIHRIFTXDKRKEA-FHUSYTEZSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](N)c3ccccc32)O1 ZINC000398210642 384843921 /nfs/dbraw/zinc/84/39/21/384843921.db2.gz JIZISKGBRVKOKZ-FKGLVLAHSA-N 1 3 246.354 2.288 20 0 BEADHO Cc1cncc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423373475 384849341 /nfs/dbraw/zinc/84/93/41/384849341.db2.gz HMDAPCYOVQKEBV-YUTCNCBUSA-N 1 3 233.359 2.311 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CO[C@H](C)C1)N1CCCCC1 ZINC000647201082 384888744 /nfs/dbraw/zinc/88/87/44/384888744.db2.gz ZUDQYYNJNXVMLR-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCSCC1 ZINC000423392455 384853473 /nfs/dbraw/zinc/85/34/73/384853473.db2.gz QFIITLSECDGRNR-DRZSPHRISA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000258920505 384951744 /nfs/dbraw/zinc/95/17/44/384951744.db2.gz ISYGNPHMTYYDOK-LSDHHAIUSA-N 1 3 248.370 2.443 20 0 BEADHO Cc1ccc(CC[NH2+]C[C@@H]2CCCNC2)c(C)c1 ZINC000259019431 384955352 /nfs/dbraw/zinc/95/53/52/384955352.db2.gz NWFISMAVAPWCBX-OAHLLOKOSA-N 1 3 246.398 2.435 20 0 BEADHO Cc1ccc(CCNC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000259019431 384955359 /nfs/dbraw/zinc/95/53/59/384955359.db2.gz NWFISMAVAPWCBX-OAHLLOKOSA-N 1 3 246.398 2.435 20 0 BEADHO COc1ccc(C)cc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000259239215 384959268 /nfs/dbraw/zinc/95/92/68/384959268.db2.gz YHQADCDHTLTGKP-ZIAGYGMSSA-N 1 3 248.370 2.016 20 0 BEADHO CC[C@@](C)(CNCCC[N@H+](C)C(C)C)OC ZINC000318936913 384920433 /nfs/dbraw/zinc/92/04/33/384920433.db2.gz BHTZBUZSUUFJRC-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO CC[C@@](C)(CNCCC[N@@H+](C)C(C)C)OC ZINC000318936913 384920445 /nfs/dbraw/zinc/92/04/45/384920445.db2.gz BHTZBUZSUUFJRC-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO CC[C@@](C)(C[NH2+]CCCN(C)C(C)C)OC ZINC000318936913 384920453 /nfs/dbraw/zinc/92/04/53/384920453.db2.gz BHTZBUZSUUFJRC-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccoc1 ZINC000087290073 384935804 /nfs/dbraw/zinc/93/58/04/384935804.db2.gz KUKMUHACWVBQFI-LLVKDONJSA-N 1 3 222.332 2.272 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058041114 384980552 /nfs/dbraw/zinc/98/05/52/384980552.db2.gz IMUMZPSUQCFIOJ-JSGCOSHPSA-N 1 3 218.344 2.246 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000094868873 384988782 /nfs/dbraw/zinc/98/87/82/384988782.db2.gz JAJYPCRNVXSYEQ-NEPJUHHUSA-N 1 3 234.343 2.415 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCNC2)s1 ZINC000043327586 385002693 /nfs/dbraw/zinc/00/26/93/385002693.db2.gz ZFRAJAXWPLGORY-GHMZBOCLSA-N 1 3 224.373 2.459 20 0 BEADHO Cc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000163470497 385076447 /nfs/dbraw/zinc/07/64/47/385076447.db2.gz HGWYNHIXNXPMCB-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423567889 385027949 /nfs/dbraw/zinc/02/79/49/385027949.db2.gz VGLMBZKCAPEEFQ-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccccc1C(F)(F)F ZINC000310411000 385042434 /nfs/dbraw/zinc/04/24/34/385042434.db2.gz MJIUIDQWENRKAX-SECBINFHSA-N 1 3 246.276 2.390 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@@H]2Cc2ccccc2)C1 ZINC000516663571 385152260 /nfs/dbraw/zinc/15/22/60/385152260.db2.gz STKWFTVNBVNGCK-XUWVNRHRSA-N 1 3 244.382 2.477 20 0 BEADHO C[C@@H]1C[C@H](NCCOc2ccccc2)CC[N@@H+]1C ZINC000129652247 385174599 /nfs/dbraw/zinc/17/45/99/385174599.db2.gz XBJHOCRFFJIVDB-ZIAGYGMSSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@@H]1C[C@H](NCCOc2ccccc2)CC[N@H+]1C ZINC000129652247 385174608 /nfs/dbraw/zinc/17/46/08/385174608.db2.gz XBJHOCRFFJIVDB-ZIAGYGMSSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@H](C[NH2+][C@H](C)CCC1CC1)CN(C)C ZINC000308882097 385235847 /nfs/dbraw/zinc/23/58/47/385235847.db2.gz URAMVUVWISKIBV-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CCC1CC1)CN(C)C ZINC000308882096 385236541 /nfs/dbraw/zinc/23/65/41/385236541.db2.gz URAMVUVWISKIBV-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO Cc1ccc([C@H](C)N[C@H](C)CCC[NH3+])o1 ZINC000308895986 385251122 /nfs/dbraw/zinc/25/11/22/385251122.db2.gz ZJFNEFCDBRXVRS-KOLCDFICSA-N 1 3 210.321 2.366 20 0 BEADHO N[C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000050227787 385312948 /nfs/dbraw/zinc/31/29/48/385312948.db2.gz AYSAWSQFBJHOIJ-CQSZACIVSA-N 1 3 226.323 2.373 20 0 BEADHO N[C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000050227787 385312950 /nfs/dbraw/zinc/31/29/50/385312950.db2.gz AYSAWSQFBJHOIJ-CQSZACIVSA-N 1 3 226.323 2.373 20 0 BEADHO CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000647490853 385282064 /nfs/dbraw/zinc/28/20/64/385282064.db2.gz VOCAWENLJACLBV-OLZOCXBDSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H](CN)C2)C1 ZINC000647490853 385282067 /nfs/dbraw/zinc/28/20/67/385282067.db2.gz VOCAWENLJACLBV-OLZOCXBDSA-N 1 3 224.392 2.483 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000308909144 385284986 /nfs/dbraw/zinc/28/49/86/385284986.db2.gz FYCSJFZWENHSIH-LBPRGKRZSA-N 1 3 216.344 2.330 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CCCCCF ZINC000308909144 385284994 /nfs/dbraw/zinc/28/49/94/385284994.db2.gz FYCSJFZWENHSIH-LBPRGKRZSA-N 1 3 216.344 2.330 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CCCCCF ZINC000308909144 385284998 /nfs/dbraw/zinc/28/49/98/385284998.db2.gz FYCSJFZWENHSIH-LBPRGKRZSA-N 1 3 216.344 2.330 20 0 BEADHO CC(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000307808755 385288658 /nfs/dbraw/zinc/28/86/58/385288658.db2.gz MTJVPLFJLWRXMS-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000307808755 385288660 /nfs/dbraw/zinc/28/86/60/385288660.db2.gz MTJVPLFJLWRXMS-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000178510419 385291275 /nfs/dbraw/zinc/29/12/75/385291275.db2.gz SDQJFFZKWWRFBI-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000228204681 385363143 /nfs/dbraw/zinc/36/31/43/385363143.db2.gz ZPZHCIHRZUVCFQ-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO C[C@H](Cc1ccccc1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359460150 385367086 /nfs/dbraw/zinc/36/70/86/385367086.db2.gz VXUNRDFYNRUECY-KBMXLJTQSA-N 1 3 244.382 2.016 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)C1CCC1 ZINC000309075942 385397435 /nfs/dbraw/zinc/39/74/35/385397435.db2.gz KJOFGXQXLGQLQP-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO CN(CCC[NH3+])Cc1cccc2cnccc21 ZINC000647497036 385398574 /nfs/dbraw/zinc/39/85/74/385398574.db2.gz YTVMIQPFQKNIQZ-UHFFFAOYSA-N 1 3 229.327 2.015 20 0 BEADHO C[C@H](CC[NH2+]C[C@@H](C)CN)c1ccccc1 ZINC000309267710 385503966 /nfs/dbraw/zinc/50/39/66/385503966.db2.gz CKZSLDGNQVLIAJ-QWHCGFSZSA-N 1 3 220.360 2.365 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000309341397 385540208 /nfs/dbraw/zinc/54/02/08/385540208.db2.gz LCRHFOHXBPTHBA-OLZOCXBDSA-N 1 3 220.360 2.192 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CCC(C)C ZINC000414849303 385625544 /nfs/dbraw/zinc/62/55/44/385625544.db2.gz XYWVNZCDJZGWSU-NWDGAFQWSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCCC1 ZINC000309557242 385695512 /nfs/dbraw/zinc/69/55/12/385695512.db2.gz KAJZLLIYAXEAKU-GFCCVEGCSA-N 1 3 222.376 2.417 20 0 BEADHO CCC[C@]1(C)CCCN(CCC[NH2+]C)C1 ZINC000336689183 385710131 /nfs/dbraw/zinc/71/01/31/385710131.db2.gz VVNGFTPPEGITOQ-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@]1(C)CCC[N@H+](CCCNC)C1 ZINC000336689183 385710136 /nfs/dbraw/zinc/71/01/36/385710136.db2.gz VVNGFTPPEGITOQ-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@]1(C)CCC[N@@H+](CCCNC)C1 ZINC000336689183 385710137 /nfs/dbraw/zinc/71/01/37/385710137.db2.gz VVNGFTPPEGITOQ-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO C[NH2+]CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000414857515 385730348 /nfs/dbraw/zinc/73/03/48/385730348.db2.gz DPPXEAZIFOCSPZ-ZDUSSCGKSA-N 1 3 238.762 2.006 20 0 BEADHO COCC(C)(C)CNCC1([NH3+])CCCCCC1 ZINC000414857844 385731788 /nfs/dbraw/zinc/73/17/88/385731788.db2.gz GHFMBRNYEWMMQS-UHFFFAOYSA-N 1 3 242.407 2.300 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+]C[C@H](C)CN ZINC000336692384 385734035 /nfs/dbraw/zinc/73/40/35/385734035.db2.gz QGLJMBBBVGDNBD-NEPJUHHUSA-N 1 3 200.370 2.386 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN ZINC000336693621 385738428 /nfs/dbraw/zinc/73/84/28/385738428.db2.gz NJKIIFQVBKJLGC-FRRDWIJNSA-N 1 3 212.381 2.386 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]CCCNC ZINC000414860956 385743344 /nfs/dbraw/zinc/74/33/44/385743344.db2.gz QYVKRDZFGPFQTF-CQSZACIVSA-N 1 3 220.360 2.207 20 0 BEADHO CC[C@H](Cc1ccccc1)NCCC[NH2+]C ZINC000414860956 385743345 /nfs/dbraw/zinc/74/33/45/385743345.db2.gz QYVKRDZFGPFQTF-CQSZACIVSA-N 1 3 220.360 2.207 20 0 BEADHO c1ccc(OCCCCC[NH2+][C@@H]2CCNC2)cc1 ZINC000414864237 385766796 /nfs/dbraw/zinc/76/67/96/385766796.db2.gz BPLZNEAZIJWHOV-CQSZACIVSA-N 1 3 248.370 2.187 20 0 BEADHO C[C@@H](CCCC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000414865318 385768304 /nfs/dbraw/zinc/76/83/04/385768304.db2.gz KPRAEVRKSKRUPO-VHSXEESVSA-N 1 3 238.297 2.449 20 0 BEADHO CC[N@H+](CCC(C)C)[C@@H]1CCCNCC1 ZINC000309652763 385770027 /nfs/dbraw/zinc/77/00/27/385770027.db2.gz UFRXJYLWLXDERW-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CC[N@@H+](CCC(C)C)[C@@H]1CCCNCC1 ZINC000309652763 385770029 /nfs/dbraw/zinc/77/00/29/385770029.db2.gz UFRXJYLWLXDERW-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCCCCF)c2ccccc21 ZINC000336654142 385721002 /nfs/dbraw/zinc/72/10/02/385721002.db2.gz JZQRZLUTXVCBHU-OLZOCXBDSA-N 1 3 222.307 2.471 20 0 BEADHO F[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000647799633 385798191 /nfs/dbraw/zinc/79/81/91/385798191.db2.gz NHLLTWVJQJOADL-KZKMVBDOSA-N 1 3 226.339 2.140 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](C)[C@@H]1C ZINC000336711664 385799381 /nfs/dbraw/zinc/79/93/81/385799381.db2.gz UNVDTPIAWDIJFD-AGIUHOORSA-N 1 3 212.381 2.351 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000414947837 385806376 /nfs/dbraw/zinc/80/63/76/385806376.db2.gz XDYATMKOHDZYRA-VZZFWQQMSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](NC[C@@H](C)CC(F)F)[C@H]1CCCC[NH2+]1 ZINC000647800560 385807610 /nfs/dbraw/zinc/80/76/10/385807610.db2.gz FGYWEMBRTHSLFL-HBNTYKKESA-N 1 3 234.334 2.398 20 0 BEADHO CC1([NH2+]C/C=C\c2ccccc2)CCNCC1 ZINC000414948147 385808202 /nfs/dbraw/zinc/80/82/02/385808202.db2.gz XTRSFXYFBDNDQO-YVMONPNESA-N 1 3 230.355 2.432 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)CC(F)F ZINC000647801451 385812414 /nfs/dbraw/zinc/81/24/14/385812414.db2.gz WDLZWMHOBGPAAW-AXFHLTTASA-N 1 3 234.334 2.255 20 0 BEADHO CCCNCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000414868197 385814563 /nfs/dbraw/zinc/81/45/63/385814563.db2.gz JQFQYAIUFKNNDZ-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@]1(C)CCCO1 ZINC000340178855 385823847 /nfs/dbraw/zinc/82/38/47/385823847.db2.gz AVAMBBISYJFEBE-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCC1)[C@]1(C)CCCO1 ZINC000340178855 385823852 /nfs/dbraw/zinc/82/38/52/385823852.db2.gz AVAMBBISYJFEBE-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO Cc1n[nH]cc1[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000647803353 385837133 /nfs/dbraw/zinc/83/71/33/385837133.db2.gz YDHHKRAGVMMRDZ-SNVBAGLBSA-N 1 3 244.342 2.028 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804319 385840898 /nfs/dbraw/zinc/84/08/98/385840898.db2.gz OZXPYIQSBQMRJU-POOIEITISA-N 1 3 228.355 2.232 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1C(C)C ZINC000414956445 385845876 /nfs/dbraw/zinc/84/58/76/385845876.db2.gz NIAKDHYOSRQAKX-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CCCCCF)C1 ZINC000336706142 385791374 /nfs/dbraw/zinc/79/13/74/385791374.db2.gz RIDGGTQFTFPFKG-RYUDHWBXSA-N 1 3 216.344 2.185 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCCCF)C1 ZINC000336706143 385791528 /nfs/dbraw/zinc/79/15/28/385791528.db2.gz RIDGGTQFTFPFKG-VXGBXAGGSA-N 1 3 216.344 2.185 20 0 BEADHO C[C@@H](CCC1CCCC1)[NH2+][C@H]1CCNC1 ZINC000414867055 385794284 /nfs/dbraw/zinc/79/42/84/385794284.db2.gz FYTUOYQBUBMXIX-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CCCc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000414874638 385886303 /nfs/dbraw/zinc/88/63/03/385886303.db2.gz IQTVZNJLMZJFQY-GFCCVEGCSA-N 1 3 220.360 2.324 20 0 BEADHO CCCc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000414874641 385886353 /nfs/dbraw/zinc/88/63/53/385886353.db2.gz IQTVZNJLMZJFQY-LBPRGKRZSA-N 1 3 220.360 2.324 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccsc1 ZINC000414874691 385887797 /nfs/dbraw/zinc/88/77/97/385887797.db2.gz IURDDIMABPPJIH-GHMZBOCLSA-N 1 3 226.389 2.254 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000414874961 385890855 /nfs/dbraw/zinc/89/08/55/385890855.db2.gz TZSBUKVGZJMXCY-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO CN(CCC[NH3+])[C@H]1CCCc2ccc(F)cc21 ZINC000647847700 385898777 /nfs/dbraw/zinc/89/87/77/385898777.db2.gz ZXKBVQSOZKYJRJ-AWEZNQCLSA-N 1 3 236.334 2.484 20 0 BEADHO CCCC[C@@H](CC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000414963752 385900292 /nfs/dbraw/zinc/90/02/92/385900292.db2.gz XLAHSFUROAVWMJ-ZIAGYGMSSA-N 1 3 242.407 2.313 20 0 BEADHO COC[C@@]1(CNC[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000414965498 385906127 /nfs/dbraw/zinc/90/61/27/385906127.db2.gz ZORDNHXXOCNVJC-KBPBESRZSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)N1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647855155 385909749 /nfs/dbraw/zinc/90/97/49/385909749.db2.gz VBRPTGNTMXWGBY-UHFFFAOYSA-N 1 3 244.342 2.093 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000122312460 385910424 /nfs/dbraw/zinc/91/04/24/385910424.db2.gz CGUUJETWSSGYCW-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCCCC1 ZINC000122312460 385910431 /nfs/dbraw/zinc/91/04/31/385910431.db2.gz CGUUJETWSSGYCW-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H]1CCCC[C@H]1C ZINC000414965880 385913850 /nfs/dbraw/zinc/91/38/50/385913850.db2.gz WCGHEKWELNWDMR-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)N ZINC000335039254 385930044 /nfs/dbraw/zinc/93/00/44/385930044.db2.gz BJCGFDLMANAQRS-CYBMUJFWSA-N 1 3 218.344 2.309 20 0 BEADHO CCC[NH2+]CCNC1C[C@H](C)C[C@@H](C)C1 ZINC000414872398 385866901 /nfs/dbraw/zinc/86/69/01/385866901.db2.gz PVSDKGCBGAOZFQ-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+][C@H]1CCCCC[C@H]1NC1Cc2ccccc2C1 ZINC000335040048 385930424 /nfs/dbraw/zinc/93/04/24/385930424.db2.gz OCCJYDYSFUIFSA-JKSUJKDBSA-N 1 3 244.382 2.403 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041387 385932829 /nfs/dbraw/zinc/93/28/29/385932829.db2.gz PWPFXVMRJWBKHU-RYUDHWBXSA-N 1 3 224.735 2.309 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C1CCNCC1)CC2 ZINC000335043654 385935671 /nfs/dbraw/zinc/93/56/71/385935671.db2.gz QSNPXPLYYNTILT-OAHLLOKOSA-N 1 3 230.355 2.324 20 0 BEADHO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000414878886 385943240 /nfs/dbraw/zinc/94/32/40/385943240.db2.gz HYVASTXUDFQHRO-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@@H](CO)CC(C)C ZINC000338297787 385958624 /nfs/dbraw/zinc/95/86/24/385958624.db2.gz XCKDIFSAEXLNMQ-CQSZACIVSA-N 1 3 244.423 2.057 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000338297787 385958630 /nfs/dbraw/zinc/95/86/30/385958630.db2.gz XCKDIFSAEXLNMQ-CQSZACIVSA-N 1 3 244.423 2.057 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000338299322 385960376 /nfs/dbraw/zinc/96/03/76/385960376.db2.gz ZGSLUHUTRDRJIO-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414880437 385967889 /nfs/dbraw/zinc/96/78/89/385967889.db2.gz QRDSVZDVXNIXHA-RYUDHWBXSA-N 1 3 238.350 2.331 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414880433 385968984 /nfs/dbraw/zinc/96/89/84/385968984.db2.gz QRDSVZDVXNIXHA-NEPJUHHUSA-N 1 3 238.350 2.331 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013874 385971023 /nfs/dbraw/zinc/97/10/23/385971023.db2.gz CTZKBLUISFXPAZ-UKRRQHHQSA-N 1 3 245.370 2.014 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013872 385971446 /nfs/dbraw/zinc/97/14/46/385971446.db2.gz CTZKBLUISFXPAZ-DZGCQCFKSA-N 1 3 245.370 2.014 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC[C@@H]1CCCO1 ZINC000338346068 385974351 /nfs/dbraw/zinc/97/43/51/385974351.db2.gz BKBGPRQBRUEVAN-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000338346068 385974357 /nfs/dbraw/zinc/97/43/57/385974357.db2.gz BKBGPRQBRUEVAN-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO Cc1ccsc1C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000334866206 385974468 /nfs/dbraw/zinc/97/44/68/385974468.db2.gz ULEOFMHTIFKVHX-QWRGUYRKSA-N 1 3 224.373 2.287 20 0 BEADHO CCN(CC)CCC[N@H+](C)CCCSC ZINC000338345927 385975058 /nfs/dbraw/zinc/97/50/58/385975058.db2.gz IQPIRDFRBAPQMH-UHFFFAOYSA-N 1 3 232.437 2.403 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CCCSC ZINC000338345927 385975066 /nfs/dbraw/zinc/97/50/66/385975066.db2.gz IQPIRDFRBAPQMH-UHFFFAOYSA-N 1 3 232.437 2.403 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000414185505 386024856 /nfs/dbraw/zinc/02/48/56/386024856.db2.gz OTDAYPUSAYMWGX-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185505 386024859 /nfs/dbraw/zinc/02/48/59/386024859.db2.gz OTDAYPUSAYMWGX-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1nc2ccc(CNC[C@H](C)C[NH3+])cc2s1 ZINC000414883975 386033119 /nfs/dbraw/zinc/03/31/19/386033119.db2.gz VJYDIORANGMZCF-SECBINFHSA-N 1 3 249.383 2.289 20 0 BEADHO N[C@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC000414883970 386035204 /nfs/dbraw/zinc/03/52/04/386035204.db2.gz AMZUBZNNWSXPKJ-CQSZACIVSA-N 1 3 241.338 2.062 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414979225 386043502 /nfs/dbraw/zinc/04/35/02/386043502.db2.gz NEGVPZHXODNVHY-PCAWENJQSA-N 1 3 240.297 2.305 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CCN)Cc1ccccc1 ZINC000414884846 386050337 /nfs/dbraw/zinc/05/03/37/386050337.db2.gz BKLDOASYPOKCKL-OLZOCXBDSA-N 1 3 220.360 2.192 20 0 BEADHO Cc1cnccc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000334455343 386105090 /nfs/dbraw/zinc/10/50/90/386105090.db2.gz OCOSGPUQOJNGBN-UONOGXRCSA-N 1 3 245.370 2.453 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000038041492 386119067 /nfs/dbraw/zinc/11/90/67/386119067.db2.gz HHSDHDUBUOEUFB-GFCCVEGCSA-N 1 3 218.344 2.398 20 0 BEADHO CC[C@@H]([NH3+])CNC[C@H](C)c1ccc(F)cc1 ZINC000414982369 386066667 /nfs/dbraw/zinc/06/66/67/386066667.db2.gz DBRDVLLKQWBFCN-GXFFZTMASA-N 1 3 224.323 2.256 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]CC1=CCN(C)CC1 ZINC000336728557 386072315 /nfs/dbraw/zinc/07/23/15/386072315.db2.gz CPHMSNAMRKSQFS-GFCCVEGCSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000414653883 386073475 /nfs/dbraw/zinc/07/34/75/386073475.db2.gz FIAUZWUGQSRHIK-SYAUCNOPSA-N 1 3 244.382 2.459 20 0 BEADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000414886748 386078289 /nfs/dbraw/zinc/07/82/89/386078289.db2.gz QKVRXHYFZWJNQZ-JYJNAYRXSA-N 1 3 244.382 2.349 20 0 BEADHO CSCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365402743 386078428 /nfs/dbraw/zinc/07/84/28/386078428.db2.gz KDKJBTJWBCCQHQ-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CSCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365402743 386078430 /nfs/dbraw/zinc/07/84/30/386078430.db2.gz KDKJBTJWBCCQHQ-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CSCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000365402743 386078434 /nfs/dbraw/zinc/07/84/34/386078434.db2.gz KDKJBTJWBCCQHQ-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414984117 386082247 /nfs/dbraw/zinc/08/22/47/386082247.db2.gz UXTMLCPJWVWOGK-DHCBQETCSA-N 1 3 222.307 2.166 20 0 BEADHO FC1(F)CC[C@@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000310087567 386082540 /nfs/dbraw/zinc/08/25/40/386082540.db2.gz BLOPNIZDEWTGOT-VXGBXAGGSA-N 1 3 244.329 2.107 20 0 BEADHO FC1(F)CC[C@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000310087564 386083132 /nfs/dbraw/zinc/08/31/32/386083132.db2.gz BLOPNIZDEWTGOT-NWDGAFQWSA-N 1 3 244.329 2.107 20 0 BEADHO CCCc1cccc(C[NH2+]C[C@H](N)CC)c1 ZINC000414984851 386088188 /nfs/dbraw/zinc/08/81/88/386088188.db2.gz GXPMZENHGAWRMX-CQSZACIVSA-N 1 3 220.360 2.466 20 0 BEADHO C[C@H](CNC[C@@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000414888492 386097694 /nfs/dbraw/zinc/09/76/94/386097694.db2.gz JWVJCZSSWLFINI-QMTHXVAHSA-N 1 3 236.334 2.256 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cc(F)cc2cccnc21 ZINC000414892178 386147354 /nfs/dbraw/zinc/14/73/54/386147354.db2.gz WTIOVFDSICSBLU-JTQLQIEISA-N 1 3 247.317 2.201 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccccc1 ZINC000414991462 386154492 /nfs/dbraw/zinc/15/44/92/386154492.db2.gz QEOSIJQXMGQFDR-TZMCWYRMSA-N 1 3 220.360 2.335 20 0 BEADHO [NH3+]CCCN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000414682669 386165702 /nfs/dbraw/zinc/16/57/02/386165702.db2.gz ADVHRYYXIVOZSD-CQSZACIVSA-N 1 3 236.334 2.181 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000414682669 386165705 /nfs/dbraw/zinc/16/57/05/386165705.db2.gz ADVHRYYXIVOZSD-CQSZACIVSA-N 1 3 236.334 2.181 20 0 BEADHO NCCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000414682669 386165710 /nfs/dbraw/zinc/16/57/10/386165710.db2.gz ADVHRYYXIVOZSD-CQSZACIVSA-N 1 3 236.334 2.181 20 0 BEADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H](N)C1CC1 ZINC000414894213 386171646 /nfs/dbraw/zinc/17/16/46/386171646.db2.gz SLARWIBACISNBI-ZDUSSCGKSA-N 1 3 238.762 2.475 20 0 BEADHO Cc1ccc([C@H]2CCCN2CCC[NH3+])cc1 ZINC000414685576 386171775 /nfs/dbraw/zinc/17/17/75/386171775.db2.gz ZVHMIZDCJBTCOU-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccc([C@H]2CCC[N@@H+]2CCCN)cc1 ZINC000414685576 386171778 /nfs/dbraw/zinc/17/17/78/386171778.db2.gz ZVHMIZDCJBTCOU-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccc([C@H]2CCC[N@H+]2CCCN)cc1 ZINC000414685576 386171782 /nfs/dbraw/zinc/17/17/82/386171782.db2.gz ZVHMIZDCJBTCOU-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1cccc(F)c1 ZINC000414995872 386178659 /nfs/dbraw/zinc/17/86/59/386178659.db2.gz WTTSEMXIDZKLSC-BXUZGUMPSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1C ZINC000414996327 386182121 /nfs/dbraw/zinc/18/21/21/386182121.db2.gz XNDGJVZJCJDJHN-GXTWGEPZSA-N 1 3 220.360 2.253 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1C ZINC000414996332 386182650 /nfs/dbraw/zinc/18/26/50/386182650.db2.gz XNDGJVZJCJDJHN-TZMCWYRMSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@@H](CC[NH3+])NC/C=C/c1ccc(F)cc1F ZINC000414895403 386185431 /nfs/dbraw/zinc/18/54/31/386185431.db2.gz NNACRKREWIRDNY-PBKGFPTLSA-N 1 3 240.297 2.305 20 0 BEADHO CCN(CCc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647879834 386185743 /nfs/dbraw/zinc/18/57/43/386185743.db2.gz IGAFNZOUDUBCQB-GFCCVEGCSA-N 1 3 238.400 2.222 20 0 BEADHO CO[C@@H](C)C[N@H+](C[C@@H](N)CC(C)C)C(C)C ZINC000414691396 386187426 /nfs/dbraw/zinc/18/74/26/386187426.db2.gz BOJXCHARHXUBSJ-STQMWFEESA-N 1 3 230.396 2.105 20 0 BEADHO CO[C@@H](C)C[N@@H+](C[C@@H](N)CC(C)C)C(C)C ZINC000414691396 386187433 /nfs/dbraw/zinc/18/74/33/386187433.db2.gz BOJXCHARHXUBSJ-STQMWFEESA-N 1 3 230.396 2.105 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000414670290 386136069 /nfs/dbraw/zinc/13/60/69/386136069.db2.gz CWBUKZCFOABMBB-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000414670290 386136074 /nfs/dbraw/zinc/13/60/74/386136074.db2.gz CWBUKZCFOABMBB-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO c1ccc(C[C@@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874684 386142728 /nfs/dbraw/zinc/14/27/28/386142728.db2.gz MQURZDAIBZDRQO-HOTGVXAUSA-N 1 3 244.382 2.303 20 0 BEADHO C[C@H](CCN)[NH2+][C@H](C)Cc1ccccc1F ZINC000414896744 386206259 /nfs/dbraw/zinc/20/62/59/386206259.db2.gz PUCCQSACXONEEU-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](CC[NH3+])N[C@H](C)Cc1ccccc1F ZINC000414896744 386206266 /nfs/dbraw/zinc/20/62/66/386206266.db2.gz PUCCQSACXONEEU-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](CCN)[NH2+][C@@H](C)Cc1ccccc1F ZINC000414896745 386206983 /nfs/dbraw/zinc/20/69/83/386206983.db2.gz PUCCQSACXONEEU-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](CC[NH3+])N[C@@H](C)Cc1ccccc1F ZINC000414896745 386206987 /nfs/dbraw/zinc/20/69/87/386206987.db2.gz PUCCQSACXONEEU-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO CCc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131546945 386209823 /nfs/dbraw/zinc/20/98/23/386209823.db2.gz HMBKIVGFRFODGX-WFASDCNBSA-N 1 3 232.371 2.418 20 0 BEADHO Oc1ccc([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647882072 386217709 /nfs/dbraw/zinc/21/77/09/386217709.db2.gz HZYHKDVUJAMRDZ-WFASDCNBSA-N 1 3 246.354 2.139 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000415002059 386239128 /nfs/dbraw/zinc/23/91/28/386239128.db2.gz DEWLOWZHRGLKPA-SEUFLZDSSA-N 1 3 222.307 2.164 20 0 BEADHO CCCC[C@@H](COC)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414899521 386246925 /nfs/dbraw/zinc/24/69/25/386246925.db2.gz CLMDUZITDAASCT-KBPBESRZSA-N 1 3 242.407 2.171 20 0 BEADHO CCCC[C@@H](COC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899521 386246930 /nfs/dbraw/zinc/24/69/30/386246930.db2.gz CLMDUZITDAASCT-KBPBESRZSA-N 1 3 242.407 2.171 20 0 BEADHO C[C@H](CNC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000414895595 386192824 /nfs/dbraw/zinc/19/28/24/386192824.db2.gz YBRIYIXJOBGPAR-RISCZKNCSA-N 1 3 218.344 2.117 20 0 BEADHO N[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000414896089 386196226 /nfs/dbraw/zinc/19/62/26/386196226.db2.gz OEAOYHWWBUOWIV-BOPNBLERSA-N 1 3 234.318 2.166 20 0 BEADHO CCCCO[C@@H]1C[C@H]([N@H+](C)CCCN)C1(C)C ZINC000414696041 386196964 /nfs/dbraw/zinc/19/69/64/386196964.db2.gz AULASGGQKUCTAW-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCN)C1(C)C ZINC000414696041 386196968 /nfs/dbraw/zinc/19/69/68/386196968.db2.gz AULASGGQKUCTAW-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](C)N ZINC000647885811 386285699 /nfs/dbraw/zinc/28/56/99/386285699.db2.gz SPMDJOGBIFSYLQ-FZMZJTMJSA-N 1 3 218.344 2.343 20 0 BEADHO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](C)N ZINC000647885811 386285703 /nfs/dbraw/zinc/28/57/03/386285703.db2.gz SPMDJOGBIFSYLQ-FZMZJTMJSA-N 1 3 218.344 2.343 20 0 BEADHO CCC[C@]1(C)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647886127 386293573 /nfs/dbraw/zinc/29/35/73/386293573.db2.gz XKWLNKGAINCQJF-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1 ZINC000335261610 386320223 /nfs/dbraw/zinc/32/02/23/386320223.db2.gz OZYHCDQEFBNEDS-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc(N)c1 ZINC000340581663 386279617 /nfs/dbraw/zinc/27/96/17/386279617.db2.gz DHCYAONWHHGFOE-AWEZNQCLSA-N 1 3 235.375 2.074 20 0 BEADHO Cc1nc2ccc(C[NH2+][C@H](C)[C@@H](C)N)cc2s1 ZINC000415006864 386347517 /nfs/dbraw/zinc/34/75/17/386347517.db2.gz CAPIABQYPFOQIP-RKDXNWHRSA-N 1 3 249.383 2.430 20 0 BEADHO Cn1cccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000265664449 386357305 /nfs/dbraw/zinc/35/73/05/386357305.db2.gz TVUBAOZDNLBYIC-UHFFFAOYSA-N 1 3 247.386 2.132 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191809 386364432 /nfs/dbraw/zinc/36/44/32/386364432.db2.gz AFERYDOMUDHULF-GXTWGEPZSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191809 386364436 /nfs/dbraw/zinc/36/44/36/386364436.db2.gz AFERYDOMUDHULF-GXTWGEPZSA-N 1 3 218.344 2.388 20 0 BEADHO CSCCC[N@H+](C)CCCN1CCCC1 ZINC000336693258 386365052 /nfs/dbraw/zinc/36/50/52/386365052.db2.gz CCBCIDJEXPBITD-UHFFFAOYSA-N 1 3 230.421 2.157 20 0 BEADHO CSCCC[N@@H+](C)CCCN1CCCC1 ZINC000336693258 386365058 /nfs/dbraw/zinc/36/50/58/386365058.db2.gz CCBCIDJEXPBITD-UHFFFAOYSA-N 1 3 230.421 2.157 20 0 BEADHO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCN ZINC000414740230 386331379 /nfs/dbraw/zinc/33/13/79/386331379.db2.gz JRCHLIUSXOGVSI-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCN ZINC000414740230 386331384 /nfs/dbraw/zinc/33/13/84/386331384.db2.gz JRCHLIUSXOGVSI-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO COC1CC([NH2+]CC[C@H](C)N2CCCCC2)C1 ZINC000347483315 386438408 /nfs/dbraw/zinc/43/84/08/386438408.db2.gz MKFUMMTTWVQJJC-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO COC1CC(NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000347483315 386438411 /nfs/dbraw/zinc/43/84/11/386438411.db2.gz MKFUMMTTWVQJJC-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO [NH3+]CCCN1CCC[C@H](Cc2ccccc2)C1 ZINC000414754381 386397058 /nfs/dbraw/zinc/39/70/58/386397058.db2.gz XRASLSUZCZCWLU-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO NCCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000414754381 386397062 /nfs/dbraw/zinc/39/70/62/386397062.db2.gz XRASLSUZCZCWLU-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO NCCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000414754381 386397065 /nfs/dbraw/zinc/39/70/65/386397065.db2.gz XRASLSUZCZCWLU-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO [NH3+]CCCN1CCC[C@@H](Cc2ccccc2)C1 ZINC000414754380 386397242 /nfs/dbraw/zinc/39/72/42/386397242.db2.gz XRASLSUZCZCWLU-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000414754380 386397246 /nfs/dbraw/zinc/39/72/46/386397246.db2.gz XRASLSUZCZCWLU-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO NCCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000414754380 386397249 /nfs/dbraw/zinc/39/72/49/386397249.db2.gz XRASLSUZCZCWLU-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)[C@H]1C ZINC000336776735 386400807 /nfs/dbraw/zinc/40/08/07/386400807.db2.gz GMLPXUPROGSJBO-BJJPWKGXSA-N 1 3 224.392 2.493 20 0 BEADHO C[C@@H](CCC(F)(F)F)NCC[C@H]1CCC[NH2+]1 ZINC000414909621 386410130 /nfs/dbraw/zinc/41/01/30/386410130.db2.gz TWENQSDEOBWRLI-VHSXEESVSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@@H]1C[C@H]1CN(CCC[NH3+])Cc1ccccc1 ZINC000339406330 386418550 /nfs/dbraw/zinc/41/85/50/386418550.db2.gz GEGUPNWLMMYFKQ-HIFRSBDPSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000339406330 386418558 /nfs/dbraw/zinc/41/85/58/386418558.db2.gz GEGUPNWLMMYFKQ-HIFRSBDPSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000339406330 386418562 /nfs/dbraw/zinc/41/85/62/386418562.db2.gz GEGUPNWLMMYFKQ-HIFRSBDPSA-N 1 3 232.371 2.493 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CCc2cccnc2)CC1 ZINC000277262350 386421857 /nfs/dbraw/zinc/42/18/57/386421857.db2.gz RAPJYKZASVZDRS-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000277262350 386421858 /nfs/dbraw/zinc/42/18/58/386421858.db2.gz RAPJYKZASVZDRS-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CO[C@@H](C)CN(CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000336714276 386434382 /nfs/dbraw/zinc/43/43/82/386434382.db2.gz QPHPUVCEJWYRBA-KBPBESRZSA-N 1 3 242.407 2.216 20 0 BEADHO CO[C@@H](C)CN(CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000336714276 386434386 /nfs/dbraw/zinc/43/43/86/386434386.db2.gz QPHPUVCEJWYRBA-KBPBESRZSA-N 1 3 242.407 2.216 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCNCC1 ZINC000335425449 386476549 /nfs/dbraw/zinc/47/65/49/386476549.db2.gz LPWGWWSCFFHHCV-PJXYFTJBSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCNCC1 ZINC000335425450 386477413 /nfs/dbraw/zinc/47/74/13/386477413.db2.gz LPWGWWSCFFHHCV-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]1CN(CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000647934483 386478189 /nfs/dbraw/zinc/47/81/89/386478189.db2.gz GXQUJUQYYXROGD-GJZGRUSLSA-N 1 3 247.386 2.073 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]C1CCNCC1 ZINC000414780937 386497933 /nfs/dbraw/zinc/49/79/33/386497933.db2.gz MEQZZQPSRUTPQI-CQSZACIVSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1C ZINC000415015505 386499720 /nfs/dbraw/zinc/49/97/20/386499720.db2.gz YUZVSSOVEFGKLO-RYUDHWBXSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1C ZINC000415015507 386500771 /nfs/dbraw/zinc/50/07/71/386500771.db2.gz YUZVSSOVEFGKLO-VXGBXAGGSA-N 1 3 206.333 2.129 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1csc(C2CC2)n1 ZINC000415017092 386503475 /nfs/dbraw/zinc/50/34/75/386503475.db2.gz DOJCESRHIYBUSW-VIFPVBQESA-N 1 3 239.388 2.238 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)NC[C@@H](C)c1ccc(F)cc1 ZINC000415018315 386504060 /nfs/dbraw/zinc/50/40/60/386504060.db2.gz QRBGRLQCMXOIHL-GMTAPVOTSA-N 1 3 224.323 2.255 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+]C1CCNCC1 ZINC000414782947 386511827 /nfs/dbraw/zinc/51/18/27/386511827.db2.gz PWDMEXHODAMGQA-QMMMGPOBSA-N 1 3 224.270 2.059 20 0 BEADHO CC(C)CCC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000415028820 386516749 /nfs/dbraw/zinc/51/67/49/386516749.db2.gz AGXZGOAHRPOSRO-ZIAGYGMSSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)CCC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000415028816 386516923 /nfs/dbraw/zinc/51/69/23/386516923.db2.gz AGXZGOAHRPOSRO-KBPBESRZSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)(C)C1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415033483 386521433 /nfs/dbraw/zinc/52/14/33/386521433.db2.gz ITBMOKAFRCGKTE-TWASESMYSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H](C[NH2+]C1CCNCC1)Cc1ccccc1 ZINC000414774344 386464594 /nfs/dbraw/zinc/46/45/94/386464594.db2.gz AXYAQXMEXYYVPZ-ZDUSSCGKSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H](C[NH3+])NC[C@@H](C)c1cccc(Cl)c1 ZINC000414921452 386585881 /nfs/dbraw/zinc/58/58/81/386585881.db2.gz BKZZARXNULKGQO-NXEZZACHSA-N 1 3 226.751 2.380 20 0 BEADHO C[C@]1(CNC[C@H]2CCc3ccccc32)CC[NH2+]C1 ZINC000415077697 386586090 /nfs/dbraw/zinc/58/60/90/386586090.db2.gz HVLQIYNQWWNGNV-ZBFHGGJFSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@@]1(CNC[C@H]2CCc3ccccc32)CC[NH2+]C1 ZINC000415077694 386587862 /nfs/dbraw/zinc/58/78/62/386587862.db2.gz HVLQIYNQWWNGNV-GDBMZVCRSA-N 1 3 244.382 2.306 20 0 BEADHO Cc1ccc(CC[C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415045608 386531643 /nfs/dbraw/zinc/53/16/43/386531643.db2.gz WEBOJCQLKZCCKQ-OJLVUWQFSA-N 1 3 244.382 2.124 20 0 BEADHO Cc1ccc(CC[C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415045604 386532208 /nfs/dbraw/zinc/53/22/08/386532208.db2.gz WEBOJCQLKZCCKQ-ARLBYUKCSA-N 1 3 244.382 2.124 20 0 BEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](N)C(C)C)c1 ZINC000414788628 386532510 /nfs/dbraw/zinc/53/25/10/386532510.db2.gz DRDLJMSEGBIMJU-CQSZACIVSA-N 1 3 220.360 2.376 20 0 BEADHO CCC1(C)CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062959839 386534335 /nfs/dbraw/zinc/53/43/35/386534335.db2.gz YJTIGDSSEKDYBW-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415055583 386538759 /nfs/dbraw/zinc/53/87/59/386538759.db2.gz GKEWVCYJBHNBCC-KIJLLGNVSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H]([NH3+])CN1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000647995266 386546709 /nfs/dbraw/zinc/54/67/09/386546709.db2.gz KBDZTNJYZDNYPV-RWMBFGLXSA-N 1 3 224.392 2.482 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414791613 386547989 /nfs/dbraw/zinc/54/79/89/386547989.db2.gz BPJPLTVQZCNKAW-IHRRRGAJSA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)C[C@H](C)CN[C@H]1CCCC[NH2+]C1 ZINC000415069134 386550883 /nfs/dbraw/zinc/55/08/83/386550883.db2.gz GCNWHMOJKUQPEZ-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H]2CCCCNC2)cn1 ZINC000415068424 386550928 /nfs/dbraw/zinc/55/09/28/386550928.db2.gz DYISRMXHEAFVGM-HNNXBMFYSA-N 1 3 247.386 2.054 20 0 BEADHO CC[C@@H](C)C[C@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415068127 386552002 /nfs/dbraw/zinc/55/20/02/386552002.db2.gz VSRVTJDVWDMJPV-FHUSYTEZSA-N 1 3 210.365 2.009 20 0 BEADHO C(N[C@@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000415073160 386559968 /nfs/dbraw/zinc/55/99/68/386559968.db2.gz XZZGHUCBZMUOHV-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO CC(C)(N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414795954 386564321 /nfs/dbraw/zinc/56/43/21/386564321.db2.gz BEKVRMMGIIAHEI-UHFFFAOYSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1cccc(OC[C@H](C)[NH2+]C2CCNCC2)c1 ZINC000415074967 386569684 /nfs/dbraw/zinc/56/96/84/386569684.db2.gz DGHMQAWOJJCJLA-ZDUSSCGKSA-N 1 3 248.370 2.104 20 0 BEADHO CC(C)[C@H](N)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414795162 386571836 /nfs/dbraw/zinc/57/18/36/386571836.db2.gz MTFPKWWSNLQCST-RDFMZFSFSA-N 1 3 236.334 2.412 20 0 BEADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000335497950 386623987 /nfs/dbraw/zinc/62/39/87/386623987.db2.gz BTPZLZUFFOAPGY-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000335497949 386624430 /nfs/dbraw/zinc/62/44/30/386624430.db2.gz BTPZLZUFFOAPGY-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CCOC[C@@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414813146 386642593 /nfs/dbraw/zinc/64/25/93/386642593.db2.gz SLCCZAAYZUHQKH-VXGBXAGGSA-N 1 3 236.359 2.221 20 0 BEADHO CCC(N)(CC)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414813214 386643743 /nfs/dbraw/zinc/64/37/43/386643743.db2.gz SQGLKBZNJMKNRG-UHFFFAOYSA-N 1 3 246.358 2.170 20 0 BEADHO NC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000414812877 386643866 /nfs/dbraw/zinc/64/38/66/386643866.db2.gz PXWYTNNWBIOPGX-GFCCVEGCSA-N 1 3 242.725 2.306 20 0 BEADHO COc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1C ZINC000414803869 386606964 /nfs/dbraw/zinc/60/69/64/386606964.db2.gz OIXCADCGJDIFTO-KGLIPLIRSA-N 1 3 248.370 2.221 20 0 BEADHO CCCC[C@H](COC)[NH2+]CC(N)(CC)CC ZINC000414804952 386609407 /nfs/dbraw/zinc/60/94/07/386609407.db2.gz FRNYCAIQIAXGLU-GFCCVEGCSA-N 1 3 230.396 2.299 20 0 BEADHO CCCC[C@H](COC)NCC([NH3+])(CC)CC ZINC000414804952 386609412 /nfs/dbraw/zinc/60/94/12/386609412.db2.gz FRNYCAIQIAXGLU-GFCCVEGCSA-N 1 3 230.396 2.299 20 0 BEADHO CC(C)(C)[NH2+]CCN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000415107098 386617604 /nfs/dbraw/zinc/61/76/04/386617604.db2.gz ILNQPYLTDPFTCI-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCN1 ZINC000414820063 386665586 /nfs/dbraw/zinc/66/55/86/386665586.db2.gz ACQVPDXUPYJIQA-RDBSUJKOSA-N 1 3 222.376 2.297 20 0 BEADHO CC[NH2+]CCNC[C@@H](C)CCc1ccccc1 ZINC000414822774 386672951 /nfs/dbraw/zinc/67/29/51/386672951.db2.gz HBGKKRVEIOPEGT-AWEZNQCLSA-N 1 3 234.387 2.454 20 0 BEADHO CC[NH2+]CCNC[C@H](C)CCc1ccccc1 ZINC000414822776 386674297 /nfs/dbraw/zinc/67/42/97/386674297.db2.gz HBGKKRVEIOPEGT-CQSZACIVSA-N 1 3 234.387 2.454 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccc(F)cc1 ZINC000414823768 386679892 /nfs/dbraw/zinc/67/98/92/386679892.db2.gz PIYBNEBDNUFYNG-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414823768 386679896 /nfs/dbraw/zinc/67/98/96/386679896.db2.gz PIYBNEBDNUFYNG-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](CCC1CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823974 386679973 /nfs/dbraw/zinc/67/99/73/386679973.db2.gz FGUZYJOLQZJDLR-BKQLOGFTSA-N 1 3 222.376 2.438 20 0 BEADHO Clc1ccccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414824847 386684101 /nfs/dbraw/zinc/68/41/01/386684101.db2.gz BGZSLCZCNRMVHC-NSHDSACASA-N 1 3 238.762 2.429 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414825410 386691144 /nfs/dbraw/zinc/69/11/44/386691144.db2.gz SPZKNPCLVZIWMU-TVQRCGJNSA-N 1 3 238.762 2.134 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414825410 386691150 /nfs/dbraw/zinc/69/11/50/386691150.db2.gz SPZKNPCLVZIWMU-TVQRCGJNSA-N 1 3 238.762 2.134 20 0 BEADHO Cc1ccc(F)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414835958 386731204 /nfs/dbraw/zinc/73/12/04/386731204.db2.gz SGWILVLIPCUZJZ-GFCCVEGCSA-N 1 3 236.334 2.223 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000414840547 386738880 /nfs/dbraw/zinc/73/88/80/386738880.db2.gz MLJPTCMGYKXLKN-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CC1CCCC1 ZINC000414833085 386714629 /nfs/dbraw/zinc/71/46/29/386714629.db2.gz GCGBQZBLHZZGIT-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000335484927 386715211 /nfs/dbraw/zinc/71/52/11/386715211.db2.gz XKJHVEIRZDOSIG-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@H]1CCCC[C@@H]1C1CC1 ZINC000414831890 386715933 /nfs/dbraw/zinc/71/59/33/386715933.db2.gz PWSXVCKEZDCGHV-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414834866 386722945 /nfs/dbraw/zinc/72/29/45/386722945.db2.gz HZKGPGVNBXCIHG-FPMFFAJLSA-N 1 3 224.392 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414835810 386726672 /nfs/dbraw/zinc/72/66/72/386726672.db2.gz IPFZYKJKWBYZAF-UBHSHLNASA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)C[C@H](CN)[NH2+]Cc1ccc(F)c(F)c1 ZINC000414842156 386747716 /nfs/dbraw/zinc/74/77/16/386747716.db2.gz NYAQLWVCQCWKEC-LLVKDONJSA-N 1 3 242.313 2.428 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000414841293 386755208 /nfs/dbraw/zinc/75/52/08/386755208.db2.gz HOBFVCBRHQVGPR-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1 ZINC000414841293 386755211 /nfs/dbraw/zinc/75/52/11/386755211.db2.gz HOBFVCBRHQVGPR-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[C@H](NCCC(F)(F)F)CC[N@@H+]1C ZINC000156617164 386763934 /nfs/dbraw/zinc/76/39/34/386763934.db2.gz WIHKDPFESIUBLM-DTWKUNHWSA-N 1 3 224.270 2.011 20 0 BEADHO C[C@H]1C[C@H](NCCC(F)(F)F)CC[N@H+]1C ZINC000156617164 386763943 /nfs/dbraw/zinc/76/39/43/386763943.db2.gz WIHKDPFESIUBLM-DTWKUNHWSA-N 1 3 224.270 2.011 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCCN1 ZINC000414843660 386763901 /nfs/dbraw/zinc/76/39/01/386763901.db2.gz JZQFGBOYUCBCHD-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CCC[NH2+][C@H]1CNC[C@H]1CCSC1 ZINC000414931842 386768940 /nfs/dbraw/zinc/76/89/40/386768940.db2.gz RXPOPHPMTMCQFH-NEPJUHHUSA-N 1 3 242.432 2.107 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000335537781 386743338 /nfs/dbraw/zinc/74/33/38/386743338.db2.gz FGWZNHNNXHASTD-QCXCNERSSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)C1CC(N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000335537781 386743346 /nfs/dbraw/zinc/74/33/46/386743346.db2.gz FGWZNHNNXHASTD-QCXCNERSSA-N 1 3 210.365 2.151 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000414844875 386772786 /nfs/dbraw/zinc/77/27/86/386772786.db2.gz RQNBWCGJMHTKAA-YVECIDJPSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)c1ccc([C@H](N)CNCC(C)(C)[NH3+])cc1 ZINC000414846653 386817960 /nfs/dbraw/zinc/81/79/60/386817960.db2.gz NTANBTWFGJHEAT-CQSZACIVSA-N 1 3 249.402 2.137 20 0 BEADHO CC[C@@H](COC)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357847312 386853195 /nfs/dbraw/zinc/85/31/95/386853195.db2.gz IXTDXMQPJOOPBE-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@H](COC)NCC(C)(C)C[NH+]1CCCC1 ZINC000357847312 386853200 /nfs/dbraw/zinc/85/32/00/386853200.db2.gz IXTDXMQPJOOPBE-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H](C)C[C@H]1C ZINC000414937894 386856878 /nfs/dbraw/zinc/85/68/78/386856878.db2.gz CTFAYSLCCXFWMZ-UMSGYPCISA-N 1 3 212.381 2.399 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCNC[C@@H]2C)c1 ZINC000334859352 386913592 /nfs/dbraw/zinc/91/35/92/386913592.db2.gz YSEFFPUZBZLVNS-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000334857821 386910826 /nfs/dbraw/zinc/91/08/26/386910826.db2.gz OTFKQCBYWONIJO-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccc2nccc(N3CC(N(C)C)C3)c2c1 ZINC000302207410 386912855 /nfs/dbraw/zinc/91/28/55/386912855.db2.gz FBFJQXQJJPSFHY-UHFFFAOYSA-N 1 3 241.338 2.293 20 0 BEADHO Cc1ccc2nccc(N3CC([NH+](C)C)C3)c2c1 ZINC000302207410 386912858 /nfs/dbraw/zinc/91/28/58/386912858.db2.gz FBFJQXQJJPSFHY-UHFFFAOYSA-N 1 3 241.338 2.293 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000334866192 386923436 /nfs/dbraw/zinc/92/34/36/386923436.db2.gz ULEOFMHTIFKVHX-GHMZBOCLSA-N 1 3 224.373 2.287 20 0 BEADHO Cc1ccsc1C[NH2+][C@H]1CCN[C@H](C)C1 ZINC000334866200 386923840 /nfs/dbraw/zinc/92/38/40/386923840.db2.gz ULEOFMHTIFKVHX-MNOVXSKESA-N 1 3 224.373 2.287 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000334867466 386926720 /nfs/dbraw/zinc/92/67/20/386926720.db2.gz GAZAVGXSJNBHAV-PYNQCMFNSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]C1(CNC2Cc3ccccc3C2)CCCCC1 ZINC000334816897 386943097 /nfs/dbraw/zinc/94/30/97/386943097.db2.gz CVVXWUQELJDUAV-UHFFFAOYSA-N 1 3 244.382 2.405 20 0 BEADHO C[NH+](C)C[C@H]1CCN(CCCCCF)C1 ZINC000341876314 386981064 /nfs/dbraw/zinc/98/10/64/386981064.db2.gz NEJBQHYJPWCKHJ-GFCCVEGCSA-N 1 3 216.344 2.010 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCCCCF)C1 ZINC000341885624 386984881 /nfs/dbraw/zinc/98/48/81/386984881.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCF)C1 ZINC000341885624 386984885 /nfs/dbraw/zinc/98/48/85/386984885.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCCCCF)C1 ZINC000341885624 386984887 /nfs/dbraw/zinc/98/48/87/386984887.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCF)C1 ZINC000341885624 386984891 /nfs/dbraw/zinc/98/48/91/386984891.db2.gz FRAWBDLIOAAYIG-CYBMUJFWSA-N 1 3 230.371 2.400 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107934680 387039491 /nfs/dbraw/zinc/03/94/91/387039491.db2.gz ZPZHCIHRZUVCFQ-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO COc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126873297 387054845 /nfs/dbraw/zinc/05/48/45/387054845.db2.gz JRARVLLLAJZYFS-TZMCWYRMSA-N 1 3 248.370 2.173 20 0 BEADHO CC(C)[C@H](CCc1ccccc1)[NH2+]CC1CNC1 ZINC000423299750 387130648 /nfs/dbraw/zinc/13/06/48/387130648.db2.gz CFNATHZYHUJCQO-INIZCTEOSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCCNc2ccccc21 ZINC000423299538 387130707 /nfs/dbraw/zinc/13/07/07/387130707.db2.gz BUEHPTDVMVUDME-FZMZJTMJSA-N 1 3 233.359 2.118 20 0 BEADHO C[C@H](CO)CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228274086 387085105 /nfs/dbraw/zinc/08/51/05/387085105.db2.gz PHBVAWGBXAPJPW-NILFDRSVSA-N 1 3 248.370 2.129 20 0 BEADHO Cc1ccc(CN2CCC([C@H](C)[NH3+])CC2)c(C)n1 ZINC000334998250 387089848 /nfs/dbraw/zinc/08/98/48/387089848.db2.gz MXJULEFADXZNGG-LBPRGKRZSA-N 1 3 247.386 2.258 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000162207104 387091017 /nfs/dbraw/zinc/09/10/17/387091017.db2.gz HHVHTRMAZJWUAE-NWDGAFQWSA-N 1 3 241.338 2.408 20 0 BEADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1nccs1 ZINC000070733562 387091324 /nfs/dbraw/zinc/09/13/24/387091324.db2.gz VCNBGHSHFCVGHA-JTQLQIEISA-N 1 3 239.388 2.183 20 0 BEADHO CC1(F)CC(N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000335004820 387099557 /nfs/dbraw/zinc/09/95/57/387099557.db2.gz GNOOHVCJVUYLLJ-BFUDSRACSA-N 1 3 214.328 2.127 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000335006095 387100848 /nfs/dbraw/zinc/10/08/48/387100848.db2.gz ANDKQAQMGQQJLG-ZJUUUORDSA-N 1 3 218.291 2.034 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)s1 ZINC000335007929 387103579 /nfs/dbraw/zinc/10/35/79/387103579.db2.gz BPXFOURJFLNLPS-QWRGUYRKSA-N 1 3 210.346 2.026 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)ccn1 ZINC000335009720 387105365 /nfs/dbraw/zinc/10/53/65/387105365.db2.gz HKLRRMUZZMPIHI-UONOGXRCSA-N 1 3 233.359 2.140 20 0 BEADHO C1CC2(CCCC2)[C@H]1[NH2+]C1CCNCC1 ZINC000335010852 387107310 /nfs/dbraw/zinc/10/73/10/387107310.db2.gz RHMZSYORTBYSSK-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000335025420 387115658 /nfs/dbraw/zinc/11/56/58/387115658.db2.gz RREWFJMJOPTARB-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000335026558 387119100 /nfs/dbraw/zinc/11/91/00/387119100.db2.gz QFHAQNXLLQZBGT-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CCOc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000250639619 387121062 /nfs/dbraw/zinc/12/10/62/387121062.db2.gz WGAVVGBFHSRTLX-OCCSQVGLSA-N 1 3 248.370 2.254 20 0 BEADHO CCOc1cccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000250507084 387124484 /nfs/dbraw/zinc/12/44/84/387124484.db2.gz FQZNAAUGYWLEPT-TZMCWYRMSA-N 1 3 248.370 2.254 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000643482102 387128518 /nfs/dbraw/zinc/12/85/18/387128518.db2.gz FIKZPXIHJZBSTD-LPEHRKFASA-N 1 3 238.297 2.163 20 0 BEADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1CNC1 ZINC000423301274 387132487 /nfs/dbraw/zinc/13/24/87/387132487.db2.gz HBIPVSNNTQHOGL-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cccc2c1CC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000423298573 387129700 /nfs/dbraw/zinc/12/97/00/387129700.db2.gz OOPXJBIGCBAAFW-HZMBPMFUSA-N 1 3 218.344 2.167 20 0 BEADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])c(C)c1 ZINC000423298706 387129975 /nfs/dbraw/zinc/12/99/75/387129975.db2.gz ATSHHWMOLMLSOZ-CMPLNLGQSA-N 1 3 236.359 2.249 20 0 BEADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])c(C)c1 ZINC000423298708 387130111 /nfs/dbraw/zinc/13/01/11/387130111.db2.gz ATSHHWMOLMLSOZ-JQWIXIFHSA-N 1 3 236.359 2.249 20 0 BEADHO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1CNC1 ZINC000423305815 387141664 /nfs/dbraw/zinc/14/16/64/387141664.db2.gz RSEMBBVLXUFDED-KGLIPLIRSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1CNC1 ZINC000423307348 387142642 /nfs/dbraw/zinc/14/26/42/387142642.db2.gz VTFNBDJTMJMKDH-UHTWSYAYSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](F)CC[N@H+](C)CCCN1CCCC1 ZINC000352393912 387146267 /nfs/dbraw/zinc/14/62/67/387146267.db2.gz DXMQZHOUTHWDRE-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO C[C@@H](F)CC[N@@H+](C)CCCN1CCCC1 ZINC000352393912 387146273 /nfs/dbraw/zinc/14/62/73/387146273.db2.gz DXMQZHOUTHWDRE-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO c1ccc(C[C@H]2CC[C@@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423309365 387146584 /nfs/dbraw/zinc/14/65/84/387146584.db2.gz ZGSLSMGJNNFNQA-GDBMZVCRSA-N 1 3 244.382 2.207 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423311247 387149004 /nfs/dbraw/zinc/14/90/04/387149004.db2.gz BJRMSADHVBMIRR-YGRLFVJLSA-N 1 3 234.343 2.083 20 0 BEADHO CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2CNC2)C1 ZINC000423310720 387149815 /nfs/dbraw/zinc/14/98/15/387149815.db2.gz AVTWDKSCEOZMIZ-OCCSQVGLSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423313955 387151725 /nfs/dbraw/zinc/15/17/25/387151725.db2.gz XMGKBPHKAXJDBS-DHMWGJHJSA-N 1 3 232.371 2.363 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](N)C1CC1 ZINC000423313444 387152458 /nfs/dbraw/zinc/15/24/58/387152458.db2.gz FUCPGLOQAUNTEX-GJZGRUSLSA-N 1 3 230.355 2.309 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000423315921 387156801 /nfs/dbraw/zinc/15/68/01/387156801.db2.gz JHHQDNLHMPKVJY-RISCZKNCSA-N 1 3 218.344 2.383 20 0 BEADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423316188 387156995 /nfs/dbraw/zinc/15/69/95/387156995.db2.gz ZQTJDWNOMFPSBO-JHJVBQTASA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)O[C@@H]1C[C@H](NCC2([NH3+])CCC2)C1(C)C ZINC000423315958 387157410 /nfs/dbraw/zinc/15/74/10/387157410.db2.gz BHVDIRCNJSDQDW-NWDGAFQWSA-N 1 3 240.391 2.050 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]CC1(N)CCC1 ZINC000423315982 387157568 /nfs/dbraw/zinc/15/75/68/387157568.db2.gz BJAIHQCQASDSHK-ZDUSSCGKSA-N 1 3 246.354 2.154 20 0 BEADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)C ZINC000423318662 387158310 /nfs/dbraw/zinc/15/83/10/387158310.db2.gz CUIGTRSULLEHIS-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423318161 387159657 /nfs/dbraw/zinc/15/96/57/387159657.db2.gz CFDVBFRFQDUEMN-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1 ZINC000423323231 387165541 /nfs/dbraw/zinc/16/55/41/387165541.db2.gz OQXXLLWYNYAUGU-ZWNOBZJWSA-N 1 3 204.317 2.075 20 0 BEADHO CCO[C@H]1C[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000571745703 387166854 /nfs/dbraw/zinc/16/68/54/387166854.db2.gz WKIZNBPEFOJHLQ-STQMWFEESA-N 1 3 240.391 2.016 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C12CCCCC2 ZINC000423329555 387173234 /nfs/dbraw/zinc/17/32/34/387173234.db2.gz OSELUCJGJXTKJE-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc2c(c1)COC2 ZINC000423331726 387177593 /nfs/dbraw/zinc/17/75/93/387177593.db2.gz UUADZNSIEMLYLW-BONVTDFDSA-N 1 3 246.354 2.105 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](N)C1CC1)CC2 ZINC000423333158 387179307 /nfs/dbraw/zinc/17/93/07/387179307.db2.gz VMEODQKRMFLQGP-LSDHHAIUSA-N 1 3 230.355 2.309 20 0 BEADHO C[C@H](C[NH3+])N[C@H](C)C(C)(C)c1ccccc1 ZINC000423333992 387182038 /nfs/dbraw/zinc/18/20/38/387182038.db2.gz SBRBRHTUFNLAKG-VXGBXAGGSA-N 1 3 220.360 2.290 20 0 BEADHO CCc1ccc([C@H](C)NCC2=CC[NH2+]CC2)o1 ZINC000423340338 387189642 /nfs/dbraw/zinc/18/96/42/387189642.db2.gz JKGJKOMVOTYNJJ-NSHDSACASA-N 1 3 234.343 2.412 20 0 BEADHO c1ccc(CCCN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000336794650 387189811 /nfs/dbraw/zinc/18/98/11/387189811.db2.gz DPDRBMHDXUSNPD-CVEARBPZSA-N 1 3 244.382 2.303 20 0 BEADHO CC[C@H]([NH2+]CC1CNC1)C1CCCCC1 ZINC000423300528 387132871 /nfs/dbraw/zinc/13/28/71/387132871.db2.gz FDJUIXYVKVEYRB-ZDUSSCGKSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](c1cccnc1)C1CCC1 ZINC000423301791 387135636 /nfs/dbraw/zinc/13/56/36/387135636.db2.gz GNAVGJYSWGBAIO-RISCZKNCSA-N 1 3 233.359 2.107 20 0 BEADHO CC1(C)CC([NH2+]CC2CNC2)CC(C)(C)C1 ZINC000423303501 387138060 /nfs/dbraw/zinc/13/80/60/387138060.db2.gz LTHYIVUJVUKOSD-UHFFFAOYSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)C12CC3CC(CC(C3)C1)C2 ZINC000423304671 387139942 /nfs/dbraw/zinc/13/99/42/387139942.db2.gz OQQHDWVPSATIFT-UWJCENJNSA-N 1 3 248.414 2.400 20 0 BEADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1ccncc1 ZINC000423353291 387205523 /nfs/dbraw/zinc/20/55/23/387205523.db2.gz LOQPPUZYMVPDQV-CQSZACIVSA-N 1 3 231.343 2.042 20 0 BEADHO c1ccc2c(c1)CCC[C@@H]([NH2+]C1CCNCC1)C2 ZINC000643496302 387206450 /nfs/dbraw/zinc/20/64/50/387206450.db2.gz QMQRZQLESQJUHN-MRXNPFEDSA-N 1 3 244.382 2.276 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[C@@H]1C1CCC1 ZINC000423359039 387210927 /nfs/dbraw/zinc/21/09/27/387210927.db2.gz ORXZETKZCJRJTQ-MCIONIFRSA-N 1 3 222.376 2.297 20 0 BEADHO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)CN)CCC2 ZINC000423358555 387210947 /nfs/dbraw/zinc/21/09/47/387210947.db2.gz BQZWONDSYVMFHK-DTWKUNHWSA-N 1 3 239.388 2.020 20 0 BEADHO CC[C@H](Cc1cccs1)[NH2+]CCCN ZINC000643496684 387217306 /nfs/dbraw/zinc/21/73/06/387217306.db2.gz AFXKDERSJQAVMU-SNVBAGLBSA-N 1 3 212.362 2.008 20 0 BEADHO CC[C@H](Cc1cccs1)NCCC[NH3+] ZINC000643496684 387217311 /nfs/dbraw/zinc/21/73/11/387217311.db2.gz AFXKDERSJQAVMU-SNVBAGLBSA-N 1 3 212.362 2.008 20 0 BEADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000423368798 387222053 /nfs/dbraw/zinc/22/20/53/387222053.db2.gz NOEWGCGQHBPYFL-MJBXVCDLSA-N 1 3 233.359 2.392 20 0 BEADHO [NH3+]CCCN(CCCF)Cc1ccccc1 ZINC000230030881 387228848 /nfs/dbraw/zinc/22/88/48/387228848.db2.gz IEHXSIGVNFGYEV-UHFFFAOYSA-N 1 3 224.323 2.197 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000423396409 387231821 /nfs/dbraw/zinc/23/18/21/387231821.db2.gz NUEZMCAEOHAWTJ-RGDJUOJXSA-N 1 3 222.376 2.153 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1CCCF ZINC000423403751 387241518 /nfs/dbraw/zinc/24/15/18/387241518.db2.gz ZMDUSNWGNZGMEB-UPJWGTAASA-N 1 3 230.371 2.492 20 0 BEADHO CC(C)(C)[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423425408 387252081 /nfs/dbraw/zinc/25/20/81/387252081.db2.gz GPLWNLAUGGPWKU-BJJPWKGXSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1CC1(C)C ZINC000423346762 387196822 /nfs/dbraw/zinc/19/68/22/387196822.db2.gz QCTGHGVOVXIATH-SGMGOOAPSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1C[C@@H]1C ZINC000423348058 387197119 /nfs/dbraw/zinc/19/71/19/387197119.db2.gz SJXDOBDJSZELOR-XDQVBPFNSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1C[C@@H]1C ZINC000423348057 387197460 /nfs/dbraw/zinc/19/74/60/387197460.db2.gz SJXDOBDJSZELOR-RFQIPJPRSA-N 1 3 224.392 2.400 20 0 BEADHO COc1ccccc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423349448 387199083 /nfs/dbraw/zinc/19/90/83/387199083.db2.gz WUPREJDPAVJKCP-GFCCVEGCSA-N 1 3 246.354 2.266 20 0 BEADHO CCC[C@@H](NCC1=CC[NH2+]CC1)c1ccccn1 ZINC000423349607 387200335 /nfs/dbraw/zinc/20/03/35/387200335.db2.gz XCQJAABNAHVRBI-CQSZACIVSA-N 1 3 245.370 2.432 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000423462127 387310479 /nfs/dbraw/zinc/31/04/79/387310479.db2.gz KIMSETGGRHHCOF-JSGCOSHPSA-N 1 3 236.359 2.473 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCCC12CCC2 ZINC000423382450 387266517 /nfs/dbraw/zinc/26/65/17/387266517.db2.gz IPIGEGVPQDUAFT-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1cccc(OC)c1 ZINC000423471072 387317832 /nfs/dbraw/zinc/31/78/32/387317832.db2.gz POAQMOVLZZIVPH-GXTWGEPZSA-N 1 3 236.359 2.473 20 0 BEADHO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000423433408 387283103 /nfs/dbraw/zinc/28/31/03/387283103.db2.gz CIFCUPUGVHXOAD-VWYCJHECSA-N 1 3 249.358 2.031 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCNc2ccccc21)[C@H](C)N ZINC000423431790 387284508 /nfs/dbraw/zinc/28/45/08/387284508.db2.gz AYKRRPMFIHKPEY-MISXGVKJSA-N 1 3 233.359 2.259 20 0 BEADHO C[C@@H]([C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000423436643 387285541 /nfs/dbraw/zinc/28/55/41/387285541.db2.gz PZFMGDBCVDOQDK-XSXPHNMFSA-N 1 3 236.403 2.399 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@H](C)N ZINC000423444269 387292441 /nfs/dbraw/zinc/29/24/41/387292441.db2.gz LNLZKBSTSDCOQO-RWSFTLGLSA-N 1 3 248.370 2.398 20 0 BEADHO CCCCO[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423444714 387294412 /nfs/dbraw/zinc/29/44/12/387294412.db2.gz LYWQAJTWBOWGSP-QNWHQSFQSA-N 1 3 242.407 2.296 20 0 BEADHO CCCCO[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423444711 387295147 /nfs/dbraw/zinc/29/51/47/387295147.db2.gz LYWQAJTWBOWGSP-FVCCEPFGSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423449778 387299332 /nfs/dbraw/zinc/29/93/32/387299332.db2.gz SCJIYQINXSYXAH-UTUOFQBUSA-N 1 3 235.375 2.139 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423449776 387300554 /nfs/dbraw/zinc/30/05/54/387300554.db2.gz SCJIYQINXSYXAH-SRVKXCTJSA-N 1 3 235.375 2.139 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423455202 387302383 /nfs/dbraw/zinc/30/23/83/387302383.db2.gz BZYPJYJNCHXJMG-GWCFXTLKSA-N 1 3 234.343 2.009 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C12CCCC2 ZINC000423453819 387302520 /nfs/dbraw/zinc/30/25/20/387302520.db2.gz YHCZLOGMNJERAV-ZDEQEGDKSA-N 1 3 240.391 2.050 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000423455427 387304015 /nfs/dbraw/zinc/30/40/15/387304015.db2.gz CLYZFUGEQSZQCY-MWLCHTKSSA-N 1 3 224.373 2.452 20 0 BEADHO CCCCO[C@@H]1C[C@@H](NC[C@H]([NH3+])CC)C1(C)C ZINC000423455421 387304270 /nfs/dbraw/zinc/30/42/70/387304270.db2.gz CKKQXBGAEHWCAE-JHJVBQTASA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCCc2sccc21 ZINC000423455429 387304858 /nfs/dbraw/zinc/30/48/58/387304858.db2.gz CLYZFUGEQSZQCY-ONGXEEELSA-N 1 3 224.373 2.452 20 0 BEADHO CCCCO[C@@H]1C[C@H](NC[C@H]([NH3+])CC)C1(C)C ZINC000423455420 387304932 /nfs/dbraw/zinc/30/49/32/387304932.db2.gz CKKQXBGAEHWCAE-FRRDWIJNSA-N 1 3 242.407 2.297 20 0 BEADHO CCC[C@@H](C)[C@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423458685 387306628 /nfs/dbraw/zinc/30/66/28/387306628.db2.gz QLTRSKVIOFGWJW-BNDIWNMDSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccnc([C@@H](C)NCCC2=CC[NH2+]CC2)c1 ZINC000423537054 387363854 /nfs/dbraw/zinc/36/38/54/387363854.db2.gz IWCJDRZGDSAARJ-CYBMUJFWSA-N 1 3 245.370 2.350 20 0 BEADHO CC[C@@H]1C[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423545647 387370404 /nfs/dbraw/zinc/37/04/04/387370404.db2.gz JTDVKFWQQZYODZ-XJFOESAGSA-N 1 3 240.391 2.064 20 0 BEADHO c1ccc2c(c1)C[C@@H]2CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643453498 387370688 /nfs/dbraw/zinc/37/06/88/387370688.db2.gz HNAZBFGLFPJQKB-JKXDFHQYSA-N 1 3 242.366 2.199 20 0 BEADHO CC[C@@H]1C[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423545642 387371163 /nfs/dbraw/zinc/37/11/63/387371163.db2.gz JTDVKFWQQZYODZ-REWJHTLYSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@H]([NH2+]CCCNC1CC1)[C@@H]1C[C@@H]1C ZINC000423546525 387371435 /nfs/dbraw/zinc/37/14/35/387371435.db2.gz FLERSVUMBYSYSQ-UHTWSYAYSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@@H](C)[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000373522735 387378045 /nfs/dbraw/zinc/37/80/45/387378045.db2.gz OAFOMBMOBIJYIQ-KBHBFKLGSA-N 1 3 240.391 2.016 20 0 BEADHO C1CC([C@H]2CC[C@@H]2N[C@H]2CCCC[NH2+]C2)C1 ZINC000423568606 387379518 /nfs/dbraw/zinc/37/95/18/387379518.db2.gz VQVXIVYWPIMVQO-MJBXVCDLSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000423484522 387330088 /nfs/dbraw/zinc/33/00/88/387330088.db2.gz YOADTNPJWSPKEV-PWSUYJOCSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccco1 ZINC000423488896 387334247 /nfs/dbraw/zinc/33/42/47/387334247.db2.gz FJLDNGZDHUBVFO-GARJFASQSA-N 1 3 208.305 2.058 20 0 BEADHO C[C@H](CCC(C)(C)C)NC[C@@H]1C[NH2+]CCCO1 ZINC000423491931 387337034 /nfs/dbraw/zinc/33/70/34/387337034.db2.gz KUHSENJKEFPVQY-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1nc([C@H](C)N[C@@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000423493558 387338619 /nfs/dbraw/zinc/33/86/19/387338619.db2.gz BVWYNUIDJNSPIN-JMJZKYOTSA-N 1 3 239.388 2.230 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C ZINC000321989886 387345118 /nfs/dbraw/zinc/34/51/18/387345118.db2.gz DWWGNUCUHUVTGH-FRRDWIJNSA-N 1 3 212.381 2.351 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121684772 387392439 /nfs/dbraw/zinc/39/24/39/387392439.db2.gz CDPFHFWLGWJEDL-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121684772 387392446 /nfs/dbraw/zinc/39/24/46/387392446.db2.gz CDPFHFWLGWJEDL-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[C@@]1(NCC[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000352825413 387530453 /nfs/dbraw/zinc/53/04/53/387530453.db2.gz PTUQUYODFHCMCR-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[C@@]1(NCC[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000352825413 387530455 /nfs/dbraw/zinc/53/04/55/387530455.db2.gz PTUQUYODFHCMCR-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@H](CN1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000379241319 387532101 /nfs/dbraw/zinc/53/21/01/387532101.db2.gz WZKTUCDRJVNGKP-GZBFAFLISA-N 1 3 248.370 2.043 20 0 BEADHO Cc1cc(C)c(CN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000397026978 387534227 /nfs/dbraw/zinc/53/42/27/387534227.db2.gz OEZDZZFVFZPWOG-UKRRQHHQSA-N 1 3 247.386 2.306 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1NCC[NH2+]C1CC1 ZINC000643507791 387479792 /nfs/dbraw/zinc/47/97/92/387479792.db2.gz PPVRZWCQUAPLFP-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](Cc1cccs1)[NH2+]C[C@@H](C)CN ZINC000643514661 387598736 /nfs/dbraw/zinc/59/87/36/387598736.db2.gz LILBHLYEJGHKGM-WDEREUQCSA-N 1 3 226.389 2.254 20 0 BEADHO CC[C@H](Cc1cccs1)[NH2+]C[C@H](C)CN ZINC000643514658 387598946 /nfs/dbraw/zinc/59/89/46/387598946.db2.gz LILBHLYEJGHKGM-GHMZBOCLSA-N 1 3 226.389 2.254 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422558899 387600360 /nfs/dbraw/zinc/60/03/60/387600360.db2.gz ZXZZYSLPPNULNH-CQSZACIVSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1ccc(CCN[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422698943 387614847 /nfs/dbraw/zinc/61/48/47/387614847.db2.gz BWLPBLKOBWIPEZ-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1ccc(CC[NH2+][C@H](C)C2CNC2)c(C)c1 ZINC000422698943 387614851 /nfs/dbraw/zinc/61/48/51/387614851.db2.gz BWLPBLKOBWIPEZ-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000422701915 387617436 /nfs/dbraw/zinc/61/74/36/387617436.db2.gz JKRUDGOAADDBFC-JBLDHEPKSA-N 1 3 233.359 2.155 20 0 BEADHO C[C@@H](NCCC[NH3+])c1ccc2c(c1)CCC2 ZINC000037713510 387564914 /nfs/dbraw/zinc/56/49/14/387564914.db2.gz UJPVKJMZPKPHES-LLVKDONJSA-N 1 3 218.344 2.175 20 0 BEADHO COCCCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000430556769 387627656 /nfs/dbraw/zinc/62/76/56/387627656.db2.gz VBIAKKYYAGMRLK-ZDUSSCGKSA-N 1 3 230.396 2.108 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000430645220 387636867 /nfs/dbraw/zinc/63/68/67/387636867.db2.gz ZXQDHWKMEKRDTP-QWHCGFSZSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000430645220 387636870 /nfs/dbraw/zinc/63/68/70/387636870.db2.gz ZXQDHWKMEKRDTP-QWHCGFSZSA-N 1 3 228.380 2.003 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000422730874 387638034 /nfs/dbraw/zinc/63/80/34/387638034.db2.gz MPHPTBIKIKUNBP-CHWSQXEVSA-N 1 3 232.371 2.205 20 0 BEADHO C[C@H](NCCc1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422729452 387639156 /nfs/dbraw/zinc/63/91/56/387639156.db2.gz IBZDSKNCMPEGGQ-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO C[C@H]([NH2+]CCc1ccc(Cl)cc1)C1CNC1 ZINC000422729452 387639160 /nfs/dbraw/zinc/63/91/60/387639160.db2.gz IBZDSKNCMPEGGQ-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCCc1ccccc1 ZINC000422732240 387640162 /nfs/dbraw/zinc/64/01/62/387640162.db2.gz NOYPWQICDQRDED-UONOGXRCSA-N 1 3 218.344 2.089 20 0 BEADHO Cc1ccccc1OCCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422740799 387647652 /nfs/dbraw/zinc/64/76/52/387647652.db2.gz NFLFJMHOJBTKEL-KBPBESRZSA-N 1 3 248.370 2.233 20 0 BEADHO Cc1ccccc1C[C@@H](C)N[C@H](C)C1C[NH2+]C1 ZINC000422746492 387651204 /nfs/dbraw/zinc/65/12/04/387651204.db2.gz WQWNPQJRPCZTOK-CHWSQXEVSA-N 1 3 232.371 2.124 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422746492 387651210 /nfs/dbraw/zinc/65/12/10/387651210.db2.gz WQWNPQJRPCZTOK-CHWSQXEVSA-N 1 3 232.371 2.124 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccccc1 ZINC000422748878 387653327 /nfs/dbraw/zinc/65/33/27/387653327.db2.gz WOEOOLOKOBTHLC-HUUCEWRRSA-N 1 3 232.371 2.479 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](c1ccccc1)N(C)C ZINC000422750977 387654976 /nfs/dbraw/zinc/65/49/76/387654976.db2.gz FCFPTKOTCWOYCF-GZBFAFLISA-N 1 3 249.402 2.005 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000422754791 387658986 /nfs/dbraw/zinc/65/89/86/387658986.db2.gz GENZUGMIJVDXRP-WHOHXGKFSA-N 1 3 230.421 2.376 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCSc1ccccc1 ZINC000422756383 387659997 /nfs/dbraw/zinc/65/99/97/387659997.db2.gz CHLLERLFWYRZCJ-VXGBXAGGSA-N 1 3 238.400 2.494 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccccc1F ZINC000422766366 387665160 /nfs/dbraw/zinc/66/51/60/387665160.db2.gz PXNOUENBSNTSED-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccccc1F ZINC000422766366 387665166 /nfs/dbraw/zinc/66/51/66/387665166.db2.gz PXNOUENBSNTSED-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](NCC1(c2cccc(F)c2)CC1)C1C[NH2+]C1 ZINC000422770929 387670235 /nfs/dbraw/zinc/67/02/35/387670235.db2.gz QTFQRVNAPGOIEW-LLVKDONJSA-N 1 3 248.345 2.055 20 0 BEADHO C[C@@H]([NH2+]CC1(c2cccc(F)c2)CC1)C1CNC1 ZINC000422770929 387670239 /nfs/dbraw/zinc/67/02/39/387670239.db2.gz QTFQRVNAPGOIEW-LLVKDONJSA-N 1 3 248.345 2.055 20 0 BEADHO CC[C@H](COC)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125971802 387670975 /nfs/dbraw/zinc/67/09/75/387670975.db2.gz MIOZSOGTWIPLKV-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@H](COC)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125971802 387670980 /nfs/dbraw/zinc/67/09/80/387670980.db2.gz MIOZSOGTWIPLKV-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@H](COC)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125971802 387670986 /nfs/dbraw/zinc/67/09/86/387670986.db2.gz MIOZSOGTWIPLKV-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422772798 387670997 /nfs/dbraw/zinc/67/09/97/387670997.db2.gz ZOGVWVMIDFPBAH-WOPDTQHZSA-N 1 3 210.365 2.010 20 0 BEADHO COc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422774399 387673211 /nfs/dbraw/zinc/67/32/11/387673211.db2.gz WVFFQHAHDVPESI-LSDHHAIUSA-N 1 3 248.370 2.445 20 0 BEADHO Cc1cccc([C@H](C)C[NH2+][C@@H](C)C2CNC2)c1 ZINC000422781032 387681087 /nfs/dbraw/zinc/68/10/87/387681087.db2.gz JZXBAHFTAQORDS-OLZOCXBDSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1cccc([C@H](C)CN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422781032 387681089 /nfs/dbraw/zinc/68/10/89/387681089.db2.gz JZXBAHFTAQORDS-OLZOCXBDSA-N 1 3 232.371 2.296 20 0 BEADHO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C1CNC1 ZINC000422784763 387683658 /nfs/dbraw/zinc/68/36/58/387683658.db2.gz OLYPHYDKKSOLQP-GHMZBOCLSA-N 1 3 210.365 2.153 20 0 BEADHO COc1ccc(CCCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422744176 387691134 /nfs/dbraw/zinc/69/11/34/387691134.db2.gz VQBMRVHXQNUSKX-CABCVRRESA-N 1 3 248.370 2.097 20 0 BEADHO Cc1ncc([C@@H](C)NCC2=CC[NH2+]CC2)s1 ZINC000643520333 387691420 /nfs/dbraw/zinc/69/14/20/387691420.db2.gz PBTGCUKHJDADOL-SECBINFHSA-N 1 3 237.372 2.022 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCOc1ccccc1 ZINC000422791264 387691917 /nfs/dbraw/zinc/69/19/17/387691917.db2.gz QBENKJURDASRPA-QWHCGFSZSA-N 1 3 236.359 2.171 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCOc1ccccc1 ZINC000422791264 387691927 /nfs/dbraw/zinc/69/19/27/387691927.db2.gz QBENKJURDASRPA-QWHCGFSZSA-N 1 3 236.359 2.171 20 0 BEADHO C1C[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CN1 ZINC000422792378 387692230 /nfs/dbraw/zinc/69/22/30/387692230.db2.gz DQEKDOYOTGQRDT-SYQHCUMBSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCOc1ccccc1 ZINC000422791262 387693364 /nfs/dbraw/zinc/69/33/64/387693364.db2.gz QBENKJURDASRPA-CHWSQXEVSA-N 1 3 236.359 2.171 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000422791262 387693372 /nfs/dbraw/zinc/69/33/72/387693372.db2.gz QBENKJURDASRPA-CHWSQXEVSA-N 1 3 236.359 2.171 20 0 BEADHO CCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526308 387750640 /nfs/dbraw/zinc/75/06/40/387750640.db2.gz YYKAHDUDARGASG-RYUDHWBXSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@@H](N)C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000643526301 387750659 /nfs/dbraw/zinc/75/06/59/387750659.db2.gz XXTTWOFHZXPKDK-RKDXNWHRSA-N 1 3 244.285 2.286 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526157 387750696 /nfs/dbraw/zinc/75/06/96/387750696.db2.gz RAABQHOYDVTECX-QWRGUYRKSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000422873737 387751403 /nfs/dbraw/zinc/75/14/03/387751403.db2.gz LYNRNHDQBWKHIV-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](N)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000643525769 387752075 /nfs/dbraw/zinc/75/20/75/387752075.db2.gz FBBSEPCXVSRNCL-RKDXNWHRSA-N 1 3 212.724 2.338 20 0 BEADHO CCO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000452009560 387700052 /nfs/dbraw/zinc/70/00/52/387700052.db2.gz CTAPWQOYGVJXHH-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CCO[C@@H]1CCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000452009560 387700057 /nfs/dbraw/zinc/70/00/57/387700057.db2.gz CTAPWQOYGVJXHH-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)C1CNC1 ZINC000422796284 387699986 /nfs/dbraw/zinc/69/99/86/387699986.db2.gz YCHCPNNDFGWCME-CIQGVGRVSA-N 1 3 222.376 2.153 20 0 BEADHO CCO[C@@H]1CCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000452009560 387700062 /nfs/dbraw/zinc/70/00/62/387700062.db2.gz CTAPWQOYGVJXHH-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1F ZINC000422800192 387700259 /nfs/dbraw/zinc/70/02/59/387700259.db2.gz ZNMKABDWVCFMIT-MNOVXSKESA-N 1 3 224.323 2.350 20 0 BEADHO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422878761 387754860 /nfs/dbraw/zinc/75/48/60/387754860.db2.gz KOBJREQDIAOQJS-ZIAGYGMSSA-N 1 3 234.343 2.055 20 0 BEADHO CCO[C@@H]1CCC[C@H]1NCCC[NH+](CC)CC ZINC000452024037 387704213 /nfs/dbraw/zinc/70/42/13/387704213.db2.gz YSKBZLZIQYLQCH-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCO[C@@H]1CCC[C@H]1[NH2+]CCCN(CC)CC ZINC000452024037 387704220 /nfs/dbraw/zinc/70/42/20/387704220.db2.gz YSKBZLZIQYLQCH-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)C(C)(C)C ZINC000422808613 387708316 /nfs/dbraw/zinc/70/83/16/387708316.db2.gz LGJMLRIAUNQJPB-FRRDWIJNSA-N 1 3 242.407 2.025 20 0 BEADHO CO[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)C(C)(C)C ZINC000422808613 387708322 /nfs/dbraw/zinc/70/83/22/387708322.db2.gz LGJMLRIAUNQJPB-FRRDWIJNSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@@H]([NH2+]CCCC1CCCC1)C1CNC1 ZINC000422809238 387709421 /nfs/dbraw/zinc/70/94/21/387709421.db2.gz RMYMXOHIKKEUQK-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CN)C(C)C ZINC000422811900 387711949 /nfs/dbraw/zinc/71/19/49/387711949.db2.gz PUSGYKYYWDHIEF-MGPQQGTHSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C1CNC1 ZINC000422819920 387717923 /nfs/dbraw/zinc/71/79/23/387717923.db2.gz OJULRAXHLHMGNQ-WZRBSPASSA-N 1 3 224.392 2.399 20 0 BEADHO C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CCCNCC1 ZINC000643522287 387719046 /nfs/dbraw/zinc/71/90/46/387719046.db2.gz KVCNRJHSZNLIGS-NEPJUHHUSA-N 1 3 208.349 2.051 20 0 BEADHO CC(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000422829153 387722861 /nfs/dbraw/zinc/72/28/61/387722861.db2.gz HFSDODYYVMKJKV-ZNMIVQPWSA-N 1 3 247.386 2.291 20 0 BEADHO CC(C)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1cccnc1 ZINC000422829113 387723237 /nfs/dbraw/zinc/72/32/37/387723237.db2.gz GYZLOLOSAIQBQD-IUODEOHRSA-N 1 3 247.386 2.019 20 0 BEADHO CC(C)[C@@H](C[NH2+][C@H](C)C1CNC1)c1cccnc1 ZINC000422829113 387723245 /nfs/dbraw/zinc/72/32/45/387723245.db2.gz GYZLOLOSAIQBQD-IUODEOHRSA-N 1 3 247.386 2.019 20 0 BEADHO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422830903 387724001 /nfs/dbraw/zinc/72/40/01/387724001.db2.gz DHLYJHJWIRAQOC-CYZMBNFOSA-N 1 3 242.432 2.248 20 0 BEADHO CCS[C@@H]1CCCC[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000422830903 387724004 /nfs/dbraw/zinc/72/40/04/387724004.db2.gz DHLYJHJWIRAQOC-CYZMBNFOSA-N 1 3 242.432 2.248 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@H]2CC[C@H](C)O2)CC1 ZINC000127735440 387725308 /nfs/dbraw/zinc/72/53/08/387725308.db2.gz XEYDMXWZGFMNJA-GXTWGEPZSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cc(F)cc(F)c1 ZINC000422842230 387730698 /nfs/dbraw/zinc/73/06/98/387730698.db2.gz FLLRRXQAGPVGRR-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000422842230 387730705 /nfs/dbraw/zinc/73/07/05/387730705.db2.gz FLLRRXQAGPVGRR-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1cc(F)cc(F)c1 ZINC000422842231 387731910 /nfs/dbraw/zinc/73/19/10/387731910.db2.gz FLLRRXQAGPVGRR-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000422842231 387731914 /nfs/dbraw/zinc/73/19/14/387731914.db2.gz FLLRRXQAGPVGRR-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO CCC[C@H]([NH2+]C[C@H](C)N)c1ccccc1 ZINC000643525944 387755793 /nfs/dbraw/zinc/75/57/93/387755793.db2.gz JOOJPSAUSCEKTA-AAEUAGOBSA-N 1 3 206.333 2.465 20 0 BEADHO CO[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1(C)C ZINC000422856060 387741228 /nfs/dbraw/zinc/74/12/28/387741228.db2.gz WMSLSBMXFVJWDQ-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCOc2ccccc21 ZINC000422889576 387764445 /nfs/dbraw/zinc/76/44/45/387764445.db2.gz PWJVVRKHZBJQGA-MRVWCRGKSA-N 1 3 246.354 2.022 20 0 BEADHO CC[C@@H](NCC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422894769 387765476 /nfs/dbraw/zinc/76/54/76/387765476.db2.gz DFUKUYHHTJPJSD-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN1 ZINC000422894769 387765482 /nfs/dbraw/zinc/76/54/82/387765482.db2.gz DFUKUYHHTJPJSD-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000422896095 387766385 /nfs/dbraw/zinc/76/63/85/387766385.db2.gz XJNLBLWWXBGMJV-RKDXNWHRSA-N 1 3 212.362 2.272 20 0 BEADHO CSc1ccccc1C[C@@H](C)NC[C@H](C)[NH3+] ZINC000643527625 387768207 /nfs/dbraw/zinc/76/82/07/387768207.db2.gz PIDXUNXXONOWOX-WDEREUQCSA-N 1 3 238.400 2.276 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCc2ccccc21 ZINC000422909033 387769455 /nfs/dbraw/zinc/76/94/55/387769455.db2.gz NKBGUJAIULGZMX-BPLDGKMQSA-N 1 3 230.355 2.186 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422912306 387770837 /nfs/dbraw/zinc/77/08/37/387770837.db2.gz VXTQRKMODQERPE-OBJOEFQTSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1cccc(F)c1 ZINC000422912917 387770893 /nfs/dbraw/zinc/77/08/93/387770893.db2.gz XJEXNRZPAFNZBK-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCc1cccc(F)c1 ZINC000422912917 387770896 /nfs/dbraw/zinc/77/08/96/387770896.db2.gz XJEXNRZPAFNZBK-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(F)cc1 ZINC000643529030 387771870 /nfs/dbraw/zinc/77/18/70/387771870.db2.gz SZELAAFIKWTLKJ-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO Cc1cc([C@H](C)[NH2+]C[C@H](C)N)cc(C)c1F ZINC000643529075 387773824 /nfs/dbraw/zinc/77/38/24/387773824.db2.gz UKJONSPXGRJHEN-QWRGUYRKSA-N 1 3 224.323 2.440 20 0 BEADHO C[C@H](N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000643529099 387774344 /nfs/dbraw/zinc/77/43/44/387774344.db2.gz VETNZUKNYQFSSN-WCBMZHEXSA-N 1 3 210.346 2.062 20 0 BEADHO C[C@@H](N)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000643528164 387774554 /nfs/dbraw/zinc/77/45/54/387774554.db2.gz DUFHKGIIYBRKKM-BXUZGUMPSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@H](N)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000643528122 387775390 /nfs/dbraw/zinc/77/53/90/387775390.db2.gz ZURQWIBPBRONHM-TVQRCGJNSA-N 1 3 222.307 2.140 20 0 BEADHO COc1ccc([C@H](C)[C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643529432 387776645 /nfs/dbraw/zinc/77/66/45/387776645.db2.gz ZRUFPEVGTFDJDB-QJPTWQEYSA-N 1 3 236.359 2.124 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)Cc1coc2ccccc12 ZINC000643529895 387777014 /nfs/dbraw/zinc/77/70/14/387777014.db2.gz UNBWQVUENFEBQN-QWRGUYRKSA-N 1 3 232.327 2.301 20 0 BEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(C)C1 ZINC000422922235 387778199 /nfs/dbraw/zinc/77/81/99/387778199.db2.gz SGSSBYONSPPCBD-SROGKVSYSA-N 1 3 232.371 2.333 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422926662 387780008 /nfs/dbraw/zinc/78/00/08/387780008.db2.gz XGPPJCQSYMDSDG-NZBPQXDJSA-N 1 3 232.371 2.333 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422926662 387780010 /nfs/dbraw/zinc/78/00/10/387780010.db2.gz XGPPJCQSYMDSDG-NZBPQXDJSA-N 1 3 232.371 2.333 20 0 BEADHO C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000643477782 387782229 /nfs/dbraw/zinc/78/22/29/387782229.db2.gz SPPVTESGEFCQHW-ITGHMWBKSA-N 1 3 240.391 2.063 20 0 BEADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@H]2[NH3+])C[C@H]1OC ZINC000422937732 387783262 /nfs/dbraw/zinc/78/32/62/387783262.db2.gz KCKWSUJGTPKFFN-FDYHWXHSSA-N 1 3 240.391 2.050 20 0 BEADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCNC1 ZINC000422936298 387783397 /nfs/dbraw/zinc/78/33/97/387783397.db2.gz BGRCRBCNPZYBTK-GFCCVEGCSA-N 1 3 212.381 2.399 20 0 BEADHO CCOc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422901484 387787040 /nfs/dbraw/zinc/78/70/40/387787040.db2.gz LAPXVQVHBZCESG-NWDGAFQWSA-N 1 3 236.359 2.301 20 0 BEADHO CCOc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422901486 387787414 /nfs/dbraw/zinc/78/74/14/387787414.db2.gz LAPXVQVHBZCESG-VXGBXAGGSA-N 1 3 236.359 2.301 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC/C=C/c1ccccc1 ZINC000422980456 387791140 /nfs/dbraw/zinc/79/11/40/387791140.db2.gz PSGKUIVSOSAOPB-YSDIBMRGSA-N 1 3 218.344 2.415 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC/C=C\c1ccccc1 ZINC000422980455 387791213 /nfs/dbraw/zinc/79/12/13/387791213.db2.gz PSGKUIVSOSAOPB-QDIXBRCLSA-N 1 3 218.344 2.415 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC/C=C\c1ccccc1 ZINC000422980454 387791561 /nfs/dbraw/zinc/79/15/61/387791561.db2.gz PSGKUIVSOSAOPB-LFCSJDMJSA-N 1 3 218.344 2.415 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422983627 387794102 /nfs/dbraw/zinc/79/41/02/387794102.db2.gz UJJXSTRZRLZHOU-HOTGVXAUSA-N 1 3 244.382 2.118 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422965069 387813052 /nfs/dbraw/zinc/81/30/52/387813052.db2.gz NMGZTJKERPNXLN-TUAOUCFPSA-N 1 3 224.348 2.316 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422965069 387813058 /nfs/dbraw/zinc/81/30/58/387813058.db2.gz NMGZTJKERPNXLN-TUAOUCFPSA-N 1 3 224.348 2.316 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(Cc2ccccc2)CC1 ZINC000422991278 387800052 /nfs/dbraw/zinc/80/00/52/387800052.db2.gz ASQGUNJLCSAEBL-CABCVRRESA-N 1 3 244.382 2.479 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000151131147 387801884 /nfs/dbraw/zinc/80/18/84/387801884.db2.gz FDIJKVHFAQEVSH-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422995788 387803148 /nfs/dbraw/zinc/80/31/48/387803148.db2.gz ZEUSMBDFXHKKBQ-DCAQKATOSA-N 1 3 232.318 2.281 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422994483 387803604 /nfs/dbraw/zinc/80/36/04/387803604.db2.gz HVWWTTNLNQOXOJ-HIFRSBDPSA-N 1 3 247.386 2.121 20 0 BEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCC1 ZINC000422954234 387809494 /nfs/dbraw/zinc/80/94/94/387809494.db2.gz HKQXHESKKIICEW-RISCZKNCSA-N 1 3 218.344 2.087 20 0 BEADHO CSC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000193825177 387810522 /nfs/dbraw/zinc/81/05/22/387810522.db2.gz YWXLCAOYVKDYKP-NWDGAFQWSA-N 1 3 240.416 2.098 20 0 BEADHO CSC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000193825177 387810526 /nfs/dbraw/zinc/81/05/26/387810526.db2.gz YWXLCAOYVKDYKP-NWDGAFQWSA-N 1 3 240.416 2.098 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000643527056 387759454 /nfs/dbraw/zinc/75/94/54/387759454.db2.gz COEPVTWVMNSRME-PRHODGIISA-N 1 3 224.735 2.264 20 0 BEADHO CC[C@@H](NC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422974821 387823248 /nfs/dbraw/zinc/82/32/48/387823248.db2.gz RTZNDSAXOYMLDI-MCIONIFRSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422974821 387823254 /nfs/dbraw/zinc/82/32/54/387823254.db2.gz RTZNDSAXOYMLDI-MCIONIFRSA-N 1 3 222.376 2.463 20 0 BEADHO CC(C)CSCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423008444 387830989 /nfs/dbraw/zinc/83/09/89/387830989.db2.gz AHKPTVBBXWRHSU-OLZOCXBDSA-N 1 3 244.448 2.353 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423008444 387830993 /nfs/dbraw/zinc/83/09/93/387830993.db2.gz AHKPTVBBXWRHSU-OLZOCXBDSA-N 1 3 244.448 2.353 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423011493 387833418 /nfs/dbraw/zinc/83/34/18/387833418.db2.gz IXEBCGRZMQVUEW-CEUNDQEZSA-N 1 3 222.376 2.284 20 0 BEADHO CC(C)CSCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423012188 387835745 /nfs/dbraw/zinc/83/57/45/387835745.db2.gz KGAXVWBRZURPLX-CHWSQXEVSA-N 1 3 244.448 2.483 20 0 BEADHO CC(C)CSCCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423013902 387836633 /nfs/dbraw/zinc/83/66/33/387836633.db2.gz NTKMIJJOXLLKKG-RYUDHWBXSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000423015258 387839306 /nfs/dbraw/zinc/83/93/06/387839306.db2.gz QOQQNVUDZJXWSN-IUCAKERBSA-N 1 3 220.307 2.280 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1[C@H]1CCc2ccc(F)cc21 ZINC000442779838 387839985 /nfs/dbraw/zinc/83/99/85/387839985.db2.gz JQVCJFMBVCIOKL-HFAKWTLXSA-N 1 3 248.345 2.482 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000423035472 387850432 /nfs/dbraw/zinc/85/04/32/387850432.db2.gz JOCURWWEOUFBHA-AVGNSLFASA-N 1 3 228.380 2.051 20 0 BEADHO CS[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C(C)(C)C ZINC000423038980 387853192 /nfs/dbraw/zinc/85/31/92/387853192.db2.gz ZKLSFPRWHKQNJU-QJPTWQEYSA-N 1 3 244.448 2.481 20 0 BEADHO COCC[C@H](N[C@@H](C)CCC[NH3+])c1ccco1 ZINC000423041778 387856178 /nfs/dbraw/zinc/85/61/78/387856178.db2.gz JTAKCNVTJKNPEH-RYUDHWBXSA-N 1 3 240.347 2.074 20 0 BEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)C(F)(F)F ZINC000423052052 387860053 /nfs/dbraw/zinc/86/00/53/387860053.db2.gz OYUHSVCZIIFHOA-OPRDCNLKSA-N 1 3 238.297 2.163 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423052974 387861093 /nfs/dbraw/zinc/86/10/93/387861093.db2.gz RQFZUBHUBXPZGM-BIIVOSGPSA-N 1 3 212.259 2.043 20 0 BEADHO CSCCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000423056066 387863090 /nfs/dbraw/zinc/86/30/90/387863090.db2.gz WWYUWMLNWQNJQT-WDEREUQCSA-N 1 3 218.410 2.235 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccncc1 ZINC000643460328 387874527 /nfs/dbraw/zinc/87/45/27/387874527.db2.gz QETXPBFUVAMGQW-VNHYZAJKSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000643460328 387874531 /nfs/dbraw/zinc/87/45/31/387874531.db2.gz QETXPBFUVAMGQW-VNHYZAJKSA-N 1 3 247.386 2.163 20 0 BEADHO Cc1ccncc1[C@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643535592 387864043 /nfs/dbraw/zinc/86/40/43/387864043.db2.gz NOXWAVTVWGQRSE-JSGCOSHPSA-N 1 3 245.370 2.183 20 0 BEADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423057709 387865648 /nfs/dbraw/zinc/86/56/48/387865648.db2.gz ZSFJTIPKNCSAOB-QGLVTVHPSA-N 1 3 246.354 2.048 20 0 BEADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643535849 387865665 /nfs/dbraw/zinc/86/56/65/387865665.db2.gz PKTVXTJLMYOJDS-ZWNOBZJWSA-N 1 3 249.333 2.013 20 0 BEADHO C[C@@H](N[C@@H]1CC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423061215 387865957 /nfs/dbraw/zinc/86/59/57/387865957.db2.gz KFOXVTHZSOXRRX-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000423066764 387869800 /nfs/dbraw/zinc/86/98/00/387869800.db2.gz XTVSSYVIXWTZNR-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)=CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423066913 387870169 /nfs/dbraw/zinc/87/01/69/387870169.db2.gz FTSLAXKYVZFREE-OLZOCXBDSA-N 1 3 210.365 2.320 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C1CNC1 ZINC000423074912 387874799 /nfs/dbraw/zinc/87/47/99/387874799.db2.gz NDUVVVJKIMZCRQ-BDAKNGLRSA-N 1 3 238.297 2.305 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422966942 387816832 /nfs/dbraw/zinc/81/68/32/387816832.db2.gz AXDVNSXROLPEIZ-ZIAGYGMSSA-N 1 3 248.370 2.042 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccccc1O ZINC000422966942 387816835 /nfs/dbraw/zinc/81/68/35/387816835.db2.gz AXDVNSXROLPEIZ-ZIAGYGMSSA-N 1 3 248.370 2.042 20 0 BEADHO C[C@H](N)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000442666995 387818893 /nfs/dbraw/zinc/81/88/93/387818893.db2.gz XNYVQHVIYWGTSY-XHDPSFHLSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@H](N)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000442666995 387818897 /nfs/dbraw/zinc/81/88/97/387818897.db2.gz XNYVQHVIYWGTSY-XHDPSFHLSA-N 1 3 230.355 2.486 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422970231 387818939 /nfs/dbraw/zinc/81/89/39/387818939.db2.gz VZMNMPHSWGCCRV-TUVASFSCSA-N 1 3 230.355 2.402 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1C[C@H](c2ccccc2)C1 ZINC000422970232 387819215 /nfs/dbraw/zinc/81/92/15/387819215.db2.gz VZMNMPHSWGCCRV-ZQDZILKHSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000423105161 387892047 /nfs/dbraw/zinc/89/20/47/387892047.db2.gz CAKKGNDGJDSLCI-NEPJUHHUSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc2[nH]ccc21 ZINC000423105161 387892050 /nfs/dbraw/zinc/89/20/50/387892050.db2.gz CAKKGNDGJDSLCI-NEPJUHHUSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H](NC1CC(C)(c2ccccc2)C1)C1C[NH2+]C1 ZINC000423114816 387896072 /nfs/dbraw/zinc/89/60/72/387896072.db2.gz ZWHYOOPSFFHRNM-UWTIGNOOSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)C1CNC1 ZINC000423114816 387896077 /nfs/dbraw/zinc/89/60/77/387896077.db2.gz ZWHYOOPSFFHRNM-UWTIGNOOSA-N 1 3 244.382 2.304 20 0 BEADHO COCC[C@H]([NH2+][C@H](C)C[C@H](C)N)C(C)(C)C ZINC000423116776 387897707 /nfs/dbraw/zinc/89/77/07/387897707.db2.gz RLSNJDIKOVNTKM-TUAOUCFPSA-N 1 3 230.396 2.153 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCC12CCCC2 ZINC000423077823 387876019 /nfs/dbraw/zinc/87/60/19/387876019.db2.gz URYXGSABJVWXEI-TUAOUCFPSA-N 1 3 210.365 2.425 20 0 BEADHO CCSCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423117734 387898407 /nfs/dbraw/zinc/89/84/07/387898407.db2.gz WXIVKOAAPKANLH-VXGBXAGGSA-N 1 3 230.421 2.107 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000423092751 387882997 /nfs/dbraw/zinc/88/29/97/387882997.db2.gz DHAXNBNCIJTJHK-AHLTXXRQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)[C@H]1C)C1CNC1 ZINC000423101641 387888240 /nfs/dbraw/zinc/88/82/40/387888240.db2.gz WEFRXSNJZQOQKI-FVCCEPFGSA-N 1 3 224.392 2.256 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC1(C(F)(F)F)CC1 ZINC000423102279 387889306 /nfs/dbraw/zinc/88/93/06/387889306.db2.gz DVDKHOVYTBPBRO-YUMQZZPRSA-N 1 3 224.270 2.044 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423118021 387900267 /nfs/dbraw/zinc/90/02/67/387900267.db2.gz YHOFMQQFMPKYHH-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCC12CCOCC2 ZINC000423118020 387900380 /nfs/dbraw/zinc/90/03/80/387900380.db2.gz YHOFMQQFMPKYHH-XQQFMLRXSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CC2CCC1CC2 ZINC000423124202 387902638 /nfs/dbraw/zinc/90/26/38/387902638.db2.gz GCZXDYQFCQDLGT-SYFKIGIZSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@H](NCC1CC(F)(F)C1)[C@@H]1CCC[NH2+]1 ZINC000423126375 387905228 /nfs/dbraw/zinc/90/52/28/387905228.db2.gz ISADXKVNXOSVIZ-QWRGUYRKSA-N 1 3 232.318 2.152 20 0 BEADHO CC[C@H]([NH2+]CC1CC(F)(F)C1)[C@@H]1CCCN1 ZINC000423126375 387905231 /nfs/dbraw/zinc/90/52/31/387905231.db2.gz ISADXKVNXOSVIZ-QWRGUYRKSA-N 1 3 232.318 2.152 20 0 BEADHO CCCc1nc(C)c(CN[C@H](C)CCC[NH3+])o1 ZINC000423130168 387906877 /nfs/dbraw/zinc/90/68/77/387906877.db2.gz MRBSXILEZQPGHD-SNVBAGLBSA-N 1 3 239.363 2.153 20 0 BEADHO Cc1cccnc1C(C)(C)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423132741 387908962 /nfs/dbraw/zinc/90/89/62/387908962.db2.gz CCTUIOLCBUFHHX-CHWSQXEVSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423132741 387908964 /nfs/dbraw/zinc/90/89/64/387908964.db2.gz CCTUIOLCBUFHHX-CHWSQXEVSA-N 1 3 249.402 2.383 20 0 BEADHO CC[C@@H](NC[C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000423131945 387909093 /nfs/dbraw/zinc/90/90/93/387909093.db2.gz UCNVGRSOGZHSNI-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000423133700 387912712 /nfs/dbraw/zinc/91/27/12/387912712.db2.gz VXCVGQCAMYBYND-UPJWGTAASA-N 1 3 242.432 2.107 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423151608 387929615 /nfs/dbraw/zinc/92/96/15/387929615.db2.gz KEVQUXBTRQEDEP-RFGFWPKPSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423151610 387930526 /nfs/dbraw/zinc/93/05/26/387930526.db2.gz KEVQUXBTRQEDEP-XUXIUFHCSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423153995 387931636 /nfs/dbraw/zinc/93/16/36/387931636.db2.gz OLSALKBFZOWPDR-XUXIUFHCSA-N 1 3 224.392 2.386 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423154337 387933120 /nfs/dbraw/zinc/93/31/20/387933120.db2.gz OQVVGVQHJPVQDZ-XDQVBPFNSA-N 1 3 224.392 2.256 20 0 BEADHO CC(F)(F)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423142945 387920157 /nfs/dbraw/zinc/92/01/57/387920157.db2.gz BVSJGFSMWRUCRX-VHSXEESVSA-N 1 3 220.307 2.281 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CSc2ccccc21 ZINC000423142908 387921412 /nfs/dbraw/zinc/92/14/12/387921412.db2.gz BPHRLAIRYCANDY-UHTWSYAYSA-N 1 3 248.395 2.345 20 0 BEADHO C[C@@H](NC[C@@H]1CCCCC1(F)F)C1C[NH2+]C1 ZINC000423144742 387921439 /nfs/dbraw/zinc/92/14/39/387921439.db2.gz HUZGAHDPZSVEES-KOLCDFICSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCC1(F)F)C1CNC1 ZINC000423144742 387921442 /nfs/dbraw/zinc/92/14/42/387921442.db2.gz HUZGAHDPZSVEES-KOLCDFICSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCC(C)(F)F ZINC000423145040 387922688 /nfs/dbraw/zinc/92/26/88/387922688.db2.gz ITUGVDSJMWHURG-UWVGGRQHSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC(C)(F)F ZINC000423145040 387922694 /nfs/dbraw/zinc/92/26/94/387922694.db2.gz ITUGVDSJMWHURG-UWVGGRQHSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000423147246 387925410 /nfs/dbraw/zinc/92/54/10/387925410.db2.gz RLSITZBFEJPVAP-RKDXNWHRSA-N 1 3 208.296 2.137 20 0 BEADHO C[C@@H]1C[C@@H](NCCOC2CCCC2)CC[N@@H+]1C ZINC000156147081 387926006 /nfs/dbraw/zinc/92/60/06/387926006.db2.gz RUICNPXDCJYEDF-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1C[C@@H](NCCOC2CCCC2)CC[N@H+]1C ZINC000156147081 387926009 /nfs/dbraw/zinc/92/60/09/387926009.db2.gz RUICNPXDCJYEDF-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCC(C)(F)F ZINC000423147243 387926162 /nfs/dbraw/zinc/92/61/62/387926162.db2.gz RLSITZBFEJPVAP-BDAKNGLRSA-N 1 3 208.296 2.137 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCO1 ZINC000423150642 387929124 /nfs/dbraw/zinc/92/91/24/387929124.db2.gz BOFCXGWBJPMSTJ-MELADBBJSA-N 1 3 240.391 2.066 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423167918 387952763 /nfs/dbraw/zinc/95/27/63/387952763.db2.gz GBKUKUXZZZBNOT-RFQIPJPRSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423169161 387955295 /nfs/dbraw/zinc/95/52/95/387955295.db2.gz VOKSMTRCNBCBTC-ZYHUDNBSSA-N 1 3 246.345 2.400 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423158208 387939030 /nfs/dbraw/zinc/93/90/30/387939030.db2.gz CJZRDORNNJDBLI-XDQVBPFNSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000423160376 387941338 /nfs/dbraw/zinc/94/13/38/387941338.db2.gz QRYRLCZNIMGSNO-YNEHKIRRSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423161545 387943412 /nfs/dbraw/zinc/94/34/12/387943412.db2.gz JBEPBHDGROGZPK-RFQIPJPRSA-N 1 3 240.391 2.192 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000423164950 387948451 /nfs/dbraw/zinc/94/84/51/387948451.db2.gz PBYYZXMJNOVCNV-XQHKEYJVSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](NC1CCC(C[NH3+])CC1)c1nccs1 ZINC000423171106 387956354 /nfs/dbraw/zinc/95/63/54/387956354.db2.gz NMYFGMGBZZKWDV-WHXUTIOJSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCC1CC(F)(F)C1 ZINC000423166179 387949478 /nfs/dbraw/zinc/94/94/78/387949478.db2.gz QUMGSJWFUBCCJZ-DTWKUNHWSA-N 1 3 220.307 2.137 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1c1ccccc1F ZINC000423166821 387950808 /nfs/dbraw/zinc/95/08/08/387950808.db2.gz DLJNNQQSYAIAJO-HQRZJTNHSA-N 1 3 248.345 2.399 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423166821 387950811 /nfs/dbraw/zinc/95/08/11/387950811.db2.gz DLJNNQQSYAIAJO-HQRZJTNHSA-N 1 3 248.345 2.399 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C1CNC1 ZINC000423165963 387950977 /nfs/dbraw/zinc/95/09/77/387950977.db2.gz YOCXXKPHTVUIDI-NWDGAFQWSA-N 1 3 210.365 2.319 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)C1CCC1 ZINC000392298125 387951335 /nfs/dbraw/zinc/95/13/35/387951335.db2.gz WSKCBDORHRKEHA-AWEZNQCLSA-N 1 3 222.376 2.417 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423171534 387958762 /nfs/dbraw/zinc/95/87/62/387958762.db2.gz OVLASXNPMJYUQO-IGHBBLSQSA-N 1 3 234.318 2.151 20 0 BEADHO COC1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423172322 387959170 /nfs/dbraw/zinc/95/91/70/387959170.db2.gz SEXYCCGINHVOSS-RYSNWHEDSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H]([NH2+]C1(C2CCC2)CCC1)[C@H]1CCCN1 ZINC000423172670 387959798 /nfs/dbraw/zinc/95/97/98/387959798.db2.gz UPZLVGGQCCFCFS-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCN ZINC000423186554 387972084 /nfs/dbraw/zinc/97/20/84/387972084.db2.gz KIYMMKHWFYRQLH-CQSZACIVSA-N 1 3 220.360 2.192 20 0 BEADHO CC[C@@H]([NH2+]CCN)c1ccc(Cl)s1 ZINC000423179217 387965187 /nfs/dbraw/zinc/96/51/87/387965187.db2.gz JFPHCEPDRDDYOA-SSDOTTSWSA-N 1 3 218.753 2.401 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCN ZINC000423186553 387971267 /nfs/dbraw/zinc/97/12/67/387971267.db2.gz KIYMMKHWFYRQLH-AWEZNQCLSA-N 1 3 220.360 2.192 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCNCC2)C1 ZINC000423195531 387979456 /nfs/dbraw/zinc/97/94/56/387979456.db2.gz ZIWDVPHSXKJVHV-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCNCC2)C1 ZINC000423195535 387979602 /nfs/dbraw/zinc/97/96/02/387979602.db2.gz ZIWDVPHSXKJVHV-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)c1cccnc1 ZINC000423196498 387981211 /nfs/dbraw/zinc/98/12/11/387981211.db2.gz ZVVPLCTWUUERAA-JSGCOSHPSA-N 1 3 247.386 2.076 20 0 BEADHO Cc1ccc2c(c1)[C@H](NCCC[NH3+])CCC2 ZINC000423196845 387981376 /nfs/dbraw/zinc/98/13/76/387981376.db2.gz WPECGYWDIFQOIY-CQSZACIVSA-N 1 3 218.344 2.311 20 0 BEADHO [NH3+]CCN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000423189707 387974670 /nfs/dbraw/zinc/97/46/70/387974670.db2.gz RBTASTZMDITWRT-ZDUSSCGKSA-N 1 3 238.762 2.209 20 0 BEADHO C[C@@H](NCC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423190172 387975889 /nfs/dbraw/zinc/97/58/89/387975889.db2.gz SBTXYYAFDGZOHH-NXEZZACHSA-N 1 3 226.751 2.380 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccncc1 ZINC000453067923 387978373 /nfs/dbraw/zinc/97/83/73/387978373.db2.gz SFIQSVDKJLMBDD-DZGCQCFKSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000423201706 387987551 /nfs/dbraw/zinc/98/75/51/387987551.db2.gz JCLYVLMQJXVSEH-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CNCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000423202817 387990142 /nfs/dbraw/zinc/99/01/42/387990142.db2.gz RGBVRKLCFUATMG-UHFFFAOYSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369728 387993747 /nfs/dbraw/zinc/99/37/47/387993747.db2.gz CFXQFNJODNOIHF-SCUASFONSA-N 1 3 222.376 2.153 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]1C1CCC1 ZINC000424368840 387994027 /nfs/dbraw/zinc/99/40/27/387994027.db2.gz BWZAODOFVYVRNU-WQKZHXONSA-N 1 3 234.387 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)C1C(C)(C)C1(C)C ZINC000423209564 387994269 /nfs/dbraw/zinc/99/42/69/387994269.db2.gz VCHDBIIAKCNQPN-UWVGGRQHSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)[C@@H]1CCCNC1 ZINC000423212321 387994984 /nfs/dbraw/zinc/99/49/84/387994984.db2.gz ICEQGSGEUVWYSR-MLGHIDQZSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@@H]1CCCNC1 ZINC000423212322 387996033 /nfs/dbraw/zinc/99/60/33/387996033.db2.gz ICEQGSGEUVWYSR-VEGXAWMVSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCCNC1 ZINC000423213063 387995308 /nfs/dbraw/zinc/99/53/08/387995308.db2.gz MUXGXGBFVJPJKR-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775494 387982689 /nfs/dbraw/zinc/98/26/89/387982689.db2.gz SOSJBCTXEKGYBI-GXTWGEPZSA-N 1 3 236.359 2.442 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775494 387982692 /nfs/dbraw/zinc/98/26/92/387982692.db2.gz SOSJBCTXEKGYBI-GXTWGEPZSA-N 1 3 236.359 2.442 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000423198876 387983177 /nfs/dbraw/zinc/98/31/77/387983177.db2.gz IKJXCWCWDIXKRE-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC1)[C@H]1CCCC[C@H]1C ZINC000423163897 387997856 /nfs/dbraw/zinc/99/78/56/387997856.db2.gz WCBMGJYZCRCOOK-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C1CC1 ZINC000423215284 387998340 /nfs/dbraw/zinc/99/83/40/387998340.db2.gz MVYLCEYVQKNHOP-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375616 388000035 /nfs/dbraw/zinc/00/00/35/388000035.db2.gz KNWORQUUJAFXGG-LFSVMHDDSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1c2ccccc2C[C@@H]1C ZINC000423224181 388005681 /nfs/dbraw/zinc/00/56/81/388005681.db2.gz ILHVNIHLEJCRTA-MJVIPROJSA-N 1 3 218.344 2.247 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN(CC2CC2)C1 ZINC000156584951 388006447 /nfs/dbraw/zinc/00/64/47/388006447.db2.gz GKLVAASCEAXVPI-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000156584951 388006450 /nfs/dbraw/zinc/00/64/50/388006450.db2.gz GKLVAASCEAXVPI-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000156584951 388006451 /nfs/dbraw/zinc/00/64/51/388006451.db2.gz GKLVAASCEAXVPI-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO Cc1ccc2c(c1)[C@H](NCC[C@H](C)[NH3+])CC2 ZINC000423225368 388007907 /nfs/dbraw/zinc/00/79/07/388007907.db2.gz MMOHXMDMCRVPRS-SMDDNHRTSA-N 1 3 218.344 2.309 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423227038 388010756 /nfs/dbraw/zinc/01/07/56/388010756.db2.gz UAPHKEQGWBLEJT-ISTVAULSSA-N 1 3 236.334 2.386 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273024 388025543 /nfs/dbraw/zinc/02/55/43/388025543.db2.gz AICNSSLIIGHRCQ-DZGCQCFKSA-N 1 3 247.386 2.244 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H](C)C1 ZINC000246273024 388025548 /nfs/dbraw/zinc/02/55/48/388025548.db2.gz AICNSSLIIGHRCQ-DZGCQCFKSA-N 1 3 247.386 2.244 20 0 BEADHO C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)CN(C)C ZINC000453224463 388014422 /nfs/dbraw/zinc/01/44/22/388014422.db2.gz AXGZAGOPMIHUOA-FZMZJTMJSA-N 1 3 224.392 2.352 20 0 BEADHO COc1ccc2c(c1)[C@H](NCC[C@H](C)[NH3+])CCC2 ZINC000423229029 388014861 /nfs/dbraw/zinc/01/48/61/388014861.db2.gz GLGJXHPIMQPKRZ-XHDPSFHLSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423234131 388018145 /nfs/dbraw/zinc/01/81/45/388018145.db2.gz KZYXJYBAGQCFJT-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCN2)C1 ZINC000423234131 388018148 /nfs/dbraw/zinc/01/81/48/388018148.db2.gz KZYXJYBAGQCFJT-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[NH2+]CCN[C@@H]1CCCCC12CCCC2 ZINC000423235378 388018557 /nfs/dbraw/zinc/01/85/57/388018557.db2.gz AQWQJVKUCKZJSS-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1NC[C@@H]1CCC[NH2+]1 ZINC000423239577 388022433 /nfs/dbraw/zinc/02/24/33/388022433.db2.gz SHILLKFPUJWPMD-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H]1CCCN1 ZINC000423239577 388022437 /nfs/dbraw/zinc/02/24/37/388022437.db2.gz SHILLKFPUJWPMD-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO COc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423239698 388022692 /nfs/dbraw/zinc/02/26/92/388022692.db2.gz WJVABARUNNBHSE-WDEREUQCSA-N 1 3 222.332 2.083 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CNC)[C@@H]1CC1(C)C ZINC000423255734 388036405 /nfs/dbraw/zinc/03/64/05/388036405.db2.gz APZNKWMKLRQBJB-WOPDTQHZSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccnc([C@H](C)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000423256607 388037434 /nfs/dbraw/zinc/03/74/34/388037434.db2.gz CEFOUGZWQGGADI-UONOGXRCSA-N 1 3 247.386 2.430 20 0 BEADHO CCC[C@@H](NCC[NH2+]CC)C(C)(C)C ZINC000423245503 388028812 /nfs/dbraw/zinc/02/88/12/388028812.db2.gz YJVBWNCUXZPVBY-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1 ZINC000423246598 388029950 /nfs/dbraw/zinc/02/99/50/388029950.db2.gz ZLXZRTDVJCNFPO-CHWSQXEVSA-N 1 3 210.365 2.463 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423265241 388044315 /nfs/dbraw/zinc/04/43/15/388044315.db2.gz CRODXQRNFCBDQC-UONOGXRCSA-N 1 3 236.334 2.386 20 0 BEADHO Cc1ccnc([C@@H](C)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000423247267 388030779 /nfs/dbraw/zinc/03/07/79/388030779.db2.gz KYBWZXBNXYKPEO-OLZOCXBDSA-N 1 3 233.359 2.040 20 0 BEADHO CCC1CC([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423277794 388057826 /nfs/dbraw/zinc/05/78/26/388057826.db2.gz OSSYDZKVWVZAKJ-KPFVRQRISA-N 1 3 210.365 2.282 20 0 BEADHO CCC1(CC)[C@H](NC[C@@H]([NH3+])C(C)C)C[C@@H]1OC ZINC000423277450 388059034 /nfs/dbraw/zinc/05/90/34/388059034.db2.gz PPUPOWQEZQOPNN-UPJWGTAASA-N 1 3 242.407 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CNC)C(C)(C)C ZINC000423278206 388060637 /nfs/dbraw/zinc/06/06/37/388060637.db2.gz QUIOKXFBJHGOFH-QWRGUYRKSA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000423285599 388069708 /nfs/dbraw/zinc/06/97/08/388069708.db2.gz ZRELZKUPUIPNRT-KPPDAEKUSA-N 1 3 234.334 2.255 20 0 BEADHO CC(C)[C@@H]([NH2+]CC(C)(C)N)c1cccnc1 ZINC000423288578 388072831 /nfs/dbraw/zinc/07/28/31/388072831.db2.gz TUBKQEMTBZZMRZ-GFCCVEGCSA-N 1 3 221.348 2.106 20 0 BEADHO CCC([NH3+])(CC)CN[C@H](COC)C1CCCC1 ZINC000423288592 388072854 /nfs/dbraw/zinc/07/28/54/388072854.db2.gz TWRCTSQXNIDFFC-CYBMUJFWSA-N 1 3 242.407 2.299 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(F)c1 ZINC000084218468 388074876 /nfs/dbraw/zinc/07/48/76/388074876.db2.gz ILKOPSIHLNOYFY-YPMHNXCESA-N 1 3 222.307 2.043 20 0 BEADHO Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000084218105 388075319 /nfs/dbraw/zinc/07/53/19/388075319.db2.gz AVZBYRCZTWTJEO-ZIAGYGMSSA-N 1 3 218.344 2.212 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](CN)C2)C1 ZINC000084344487 388076604 /nfs/dbraw/zinc/07/66/04/388076604.db2.gz KPKMVIXWUOYEPM-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](CN)C2)C1 ZINC000084344487 388076606 /nfs/dbraw/zinc/07/66/06/388076606.db2.gz KPKMVIXWUOYEPM-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH3+])CCCO2 ZINC000423296882 388078453 /nfs/dbraw/zinc/07/84/53/388078453.db2.gz HWBVQSTUCHIECS-JSGCOSHPSA-N 1 3 248.370 2.393 20 0 BEADHO Cc1csc([C@@H](C)N[C@@H](C)CCC[NH3+])n1 ZINC000336659885 388087153 /nfs/dbraw/zinc/08/71/53/388087153.db2.gz BPQNDKGDHDQTGQ-WCBMZHEXSA-N 1 3 227.377 2.230 20 0 BEADHO Cc1cc(NC[C@@H]2N(C)CCCC2(C)C)cc[nH+]1 ZINC000447808877 388094232 /nfs/dbraw/zinc/09/42/32/388094232.db2.gz WUKPYVCPGLOBFK-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)ccn1 ZINC000447808877 388094235 /nfs/dbraw/zinc/09/42/35/388094235.db2.gz WUKPYVCPGLOBFK-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1cc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccn1 ZINC000447808877 388094237 /nfs/dbraw/zinc/09/42/37/388094237.db2.gz WUKPYVCPGLOBFK-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2)C1 ZINC000086401673 388101617 /nfs/dbraw/zinc/10/16/17/388101617.db2.gz CRTKMMPQFUSCPW-CHWSQXEVSA-N 1 3 204.317 2.046 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccccc2)C1 ZINC000086401675 388101648 /nfs/dbraw/zinc/10/16/48/388101648.db2.gz CRTKMMPQFUSCPW-OLZOCXBDSA-N 1 3 204.317 2.046 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCNC1 ZINC000423213882 388050208 /nfs/dbraw/zinc/05/02/08/388050208.db2.gz LVEJYLCQJPMURG-UMSGYPCISA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cccc(CC[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000449035474 388133780 /nfs/dbraw/zinc/13/37/80/388133780.db2.gz OMJCPMYVFYTHHU-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1cccc(CC[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000449035474 388133781 /nfs/dbraw/zinc/13/37/81/388133781.db2.gz OMJCPMYVFYTHHU-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1cccc(CCN2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000449035474 388133783 /nfs/dbraw/zinc/13/37/83/388133783.db2.gz OMJCPMYVFYTHHU-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000449082833 388140341 /nfs/dbraw/zinc/14/03/41/388140341.db2.gz QEQXDSBBTJBWJZ-BPLDGKMQSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000449082833 388140344 /nfs/dbraw/zinc/14/03/44/388140344.db2.gz QEQXDSBBTJBWJZ-BPLDGKMQSA-N 1 3 248.370 2.427 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451578832 388282782 /nfs/dbraw/zinc/28/27/82/388282782.db2.gz XUPVKUBOFRIWIN-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451578832 388282784 /nfs/dbraw/zinc/28/27/84/388282784.db2.gz XUPVKUBOFRIWIN-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451579035 388282827 /nfs/dbraw/zinc/28/28/27/388282827.db2.gz XUPVKUBOFRIWIN-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451579035 388282828 /nfs/dbraw/zinc/28/28/28/388282828.db2.gz XUPVKUBOFRIWIN-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CCNCC1 ZINC000300034453 388346348 /nfs/dbraw/zinc/34/63/48/388346348.db2.gz XMZYAULPWGHSIR-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CCNCC1 ZINC000300034453 388346352 /nfs/dbraw/zinc/34/63/52/388346352.db2.gz XMZYAULPWGHSIR-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN(C[C@@H]1CC[C@H](C)O1)C1CC[NH2+]CC1 ZINC000300034453 388346354 /nfs/dbraw/zinc/34/63/54/388346354.db2.gz XMZYAULPWGHSIR-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H]1CS[C@H](C)C1 ZINC000300369668 388362838 /nfs/dbraw/zinc/36/28/38/388362838.db2.gz ZQSKJOLMSWIVDA-NEPJUHHUSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H]1CS[C@H](C)C1 ZINC000300369668 388362841 /nfs/dbraw/zinc/36/28/41/388362841.db2.gz ZQSKJOLMSWIVDA-NEPJUHHUSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000300369668 388362843 /nfs/dbraw/zinc/36/28/43/388362843.db2.gz ZQSKJOLMSWIVDA-NEPJUHHUSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000572887573 388384985 /nfs/dbraw/zinc/38/49/85/388384985.db2.gz USSUOHFJZKCOKO-SNPRPXQTSA-N 1 3 236.403 2.495 20 0 BEADHO C[NH+](C)Cc1cccc(CNCC2(F)CC2)c1 ZINC000525990533 388452512 /nfs/dbraw/zinc/45/25/12/388452512.db2.gz GNRIERZXMVIHSG-UHFFFAOYSA-N 1 3 236.334 2.340 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336696012 388463091 /nfs/dbraw/zinc/46/30/91/388463091.db2.gz LWLTWNFHCPMIDC-FVCCEPFGSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336696012 388463093 /nfs/dbraw/zinc/46/30/93/388463093.db2.gz LWLTWNFHCPMIDC-FVCCEPFGSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336696015 388463560 /nfs/dbraw/zinc/46/35/60/388463560.db2.gz LWLTWNFHCPMIDC-MROQNXINSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336696015 388463562 /nfs/dbraw/zinc/46/35/62/388463562.db2.gz LWLTWNFHCPMIDC-MROQNXINSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@@H]1CCCN1 ZINC000400656587 256710109 /nfs/dbraw/zinc/71/01/09/256710109.db2.gz RAVSBGBICMONQP-SDDRHHMPSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)OC ZINC000353562182 388542877 /nfs/dbraw/zinc/54/28/77/388542877.db2.gz RQQFHNCGAXZNMF-ZDUSSCGKSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CCC[NH2+]C1(C(C)C)CC1 ZINC000339510696 388483718 /nfs/dbraw/zinc/48/37/18/388483718.db2.gz FCSBLRWRXUKJOK-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000356333474 388548608 /nfs/dbraw/zinc/54/86/08/388548608.db2.gz KYNXDFPWMLXFCU-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000356333474 388548609 /nfs/dbraw/zinc/54/86/09/388548609.db2.gz KYNXDFPWMLXFCU-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(CN2CCC(CC[NH3+])CC2)c(C)n1 ZINC000564338182 388505149 /nfs/dbraw/zinc/50/51/49/388505149.db2.gz XFDAFSULEUEGPM-UHFFFAOYSA-N 1 3 247.386 2.259 20 0 BEADHO CC(C)=CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000397883429 388508942 /nfs/dbraw/zinc/50/89/42/388508942.db2.gz PAENZUPQOJKEAF-CHWSQXEVSA-N 1 3 210.365 2.450 20 0 BEADHO C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976431 388513732 /nfs/dbraw/zinc/51/37/32/388513732.db2.gz KRJAUPNCDIHQBW-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCNC1 ZINC000398043904 388515712 /nfs/dbraw/zinc/51/57/12/388515712.db2.gz AESVLYRUNXIUIZ-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO CCc1cc(N2CCN(CC)[C@@H](C)C2)cc[nH+]1 ZINC000649311190 388597915 /nfs/dbraw/zinc/59/79/15/388597915.db2.gz WPCQNOYZAXVWGE-LBPRGKRZSA-N 1 3 233.359 2.174 20 0 BEADHO Cc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCCN2)o1 ZINC000521025811 388559418 /nfs/dbraw/zinc/55/94/18/388559418.db2.gz PZTNGAJHAZMDBF-OCCSQVGLSA-N 1 3 236.359 2.251 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCOC(C)C)[C@@H](C)C1 ZINC000245412692 388577736 /nfs/dbraw/zinc/57/77/36/388577736.db2.gz AVPLBWSBHOEOPB-UONOGXRCSA-N 1 3 242.407 2.074 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCOC(C)C)[C@@H](C)C1 ZINC000245412692 388577738 /nfs/dbraw/zinc/57/77/38/388577738.db2.gz AVPLBWSBHOEOPB-UONOGXRCSA-N 1 3 242.407 2.074 20 0 BEADHO CC/C=C/CCN1CC[C@H](C[NH+](C)C)C1 ZINC000184553037 388579503 /nfs/dbraw/zinc/57/95/03/388579503.db2.gz RBWKHNLHBQMAJB-URWSZGRFSA-N 1 3 210.365 2.226 20 0 BEADHO COC[C@H](C)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247673365 388668649 /nfs/dbraw/zinc/66/86/49/388668649.db2.gz YWCIIBJJNZHWAI-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO COC[C@H](C)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000247673365 388668651 /nfs/dbraw/zinc/66/86/51/388668651.db2.gz YWCIIBJJNZHWAI-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248374788 388677403 /nfs/dbraw/zinc/67/74/03/388677403.db2.gz UCQYOHNOAKDWQR-XQQFMLRXSA-N 1 3 210.365 2.201 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248374788 388677405 /nfs/dbraw/zinc/67/74/05/388677405.db2.gz UCQYOHNOAKDWQR-XQQFMLRXSA-N 1 3 210.365 2.201 20 0 BEADHO CCCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530176687 388621048 /nfs/dbraw/zinc/62/10/48/388621048.db2.gz JWALNLYBTVJDKM-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO COCCC1CC[NH+]([C@@H]2CCC[C@@H](N)C2)CC1 ZINC000530212180 388628007 /nfs/dbraw/zinc/62/80/07/388628007.db2.gz PLINAWMOTKNOGJ-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO COCCC1CCN([C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000530212180 388628010 /nfs/dbraw/zinc/62/80/10/388628010.db2.gz PLINAWMOTKNOGJ-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530215991 388629619 /nfs/dbraw/zinc/62/96/19/388629619.db2.gz LKHRGPUYSXWMOP-STQMWFEESA-N 1 3 208.349 2.060 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530216356 388629938 /nfs/dbraw/zinc/62/99/38/388629938.db2.gz AXPAGDWQOXAFPT-TUAOUCFPSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C)CC(CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000530223922 388634548 /nfs/dbraw/zinc/63/45/48/388634548.db2.gz IXZSQOAVQVNLET-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)CCC[NH2+][C@H]1CCNC12CCC2 ZINC000530245387 388639214 /nfs/dbraw/zinc/63/92/14/388639214.db2.gz XFIQVYVQUAUNKD-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228988291 388778441 /nfs/dbraw/zinc/77/84/41/388778441.db2.gz ISLWBCJGLUPLAK-AAEUAGOBSA-N 1 3 212.381 2.339 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228988291 388778444 /nfs/dbraw/zinc/77/84/44/388778444.db2.gz ISLWBCJGLUPLAK-AAEUAGOBSA-N 1 3 212.381 2.339 20 0 BEADHO CCOC[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000250479420 388790322 /nfs/dbraw/zinc/79/03/22/388790322.db2.gz FMTKTDGDVANNIN-MELADBBJSA-N 1 3 242.407 2.312 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]Cc2ccncc2C)C1 ZINC000556155984 388869291 /nfs/dbraw/zinc/86/92/91/388869291.db2.gz WXAYMNNGGWADEI-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H](C[NH3+])C1CC1 ZINC000565762722 388967626 /nfs/dbraw/zinc/96/76/26/388967626.db2.gz FLKNQOKCUKQFPL-BXKDBHETSA-N 1 3 224.373 2.006 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000565475062 388946837 /nfs/dbraw/zinc/94/68/37/388946837.db2.gz LPICWHRYWZGFHU-NEPJUHHUSA-N 1 3 224.348 2.046 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CCc1ccco1 ZINC000565475062 388946835 /nfs/dbraw/zinc/94/68/35/388946835.db2.gz LPICWHRYWZGFHU-NEPJUHHUSA-N 1 3 224.348 2.046 20 0 BEADHO COCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408601 533233229 /nfs/dbraw/zinc/23/32/29/533233229.db2.gz CAOAORRTKFXVRY-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408601 533233234 /nfs/dbraw/zinc/23/32/34/533233234.db2.gz CAOAORRTKFXVRY-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300408601 533233239 /nfs/dbraw/zinc/23/32/39/533233239.db2.gz CAOAORRTKFXVRY-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000261569371 533365643 /nfs/dbraw/zinc/36/56/43/533365643.db2.gz GFOFSMRPBNKKLV-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C([NH2+][C@H]1CCCNCC1)C1CCCCC1 ZINC000168717401 533371730 /nfs/dbraw/zinc/37/17/30/533371730.db2.gz IKIYLCALZSZWAU-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO Cc1cc(N2CCN3CCCC[C@H]3C2)cc[nH+]1 ZINC000274311100 132202938 /nfs/dbraw/zinc/20/29/38/132202938.db2.gz AVFJETPMUFKXMH-AWEZNQCLSA-N 1 3 231.343 2.065 20 0 BEADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C1CC1 ZINC000035732801 132339119 /nfs/dbraw/zinc/33/91/19/132339119.db2.gz MFSAIKYPUSSUDQ-LBPRGKRZSA-N 1 3 245.370 2.439 20 0 BEADHO Cc1ccc(CNCC2(C)CC[NH+](C)CC2)nc1 ZINC000227328412 133539306 /nfs/dbraw/zinc/53/93/06/133539306.db2.gz YVOQBYOVIZLALA-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](N)[C@H](C)C2)cc1 ZINC000336128591 134093751 /nfs/dbraw/zinc/09/37/51/134093751.db2.gz FEZBXXCFABHLKG-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](N)[C@H](C)C2)cc1 ZINC000336128591 134093752 /nfs/dbraw/zinc/09/37/52/134093752.db2.gz FEZBXXCFABHLKG-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000167596483 134118757 /nfs/dbraw/zinc/11/87/57/134118757.db2.gz CNHUWTXKMZMZPT-CMPLNLGQSA-N 1 3 238.400 2.473 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000168510419 134225067 /nfs/dbraw/zinc/22/50/67/134225067.db2.gz BBLMGAFLDVWLFC-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000168510419 134225068 /nfs/dbraw/zinc/22/50/68/134225068.db2.gz BBLMGAFLDVWLFC-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C1=CC[C@@H](C[NH2+][C@H]2CCCNCC2)CC1 ZINC000168744113 134247763 /nfs/dbraw/zinc/24/77/63/134247763.db2.gz BTKCCUPQEKDWJO-OLZOCXBDSA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000217529700 134248427 /nfs/dbraw/zinc/24/84/27/134248427.db2.gz QIKLPOPRTBEGTO-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000217529700 134248428 /nfs/dbraw/zinc/24/84/28/134248428.db2.gz QIKLPOPRTBEGTO-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217529700 134248429 /nfs/dbraw/zinc/24/84/29/134248429.db2.gz QIKLPOPRTBEGTO-KGLIPLIRSA-N 1 3 232.371 2.461 20 0 BEADHO CNC[C@H]1CCC[N@@H+]1CC1CCC(C)CC1 ZINC000169225440 134250060 /nfs/dbraw/zinc/25/00/60/134250060.db2.gz BCIBQSPLVWXDLI-JXQTWKCFSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@H]1CCC[N@H+]1CC1CCC(C)CC1 ZINC000169225440 134250061 /nfs/dbraw/zinc/25/00/61/134250061.db2.gz BCIBQSPLVWXDLI-JXQTWKCFSA-N 1 3 224.392 2.497 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000221817688 134328055 /nfs/dbraw/zinc/32/80/55/134328055.db2.gz IJROWCHYEGUBNK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000221817688 134328056 /nfs/dbraw/zinc/32/80/56/134328056.db2.gz IJROWCHYEGUBNK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000221817688 134328057 /nfs/dbraw/zinc/32/80/57/134328057.db2.gz IJROWCHYEGUBNK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000227822559 134389499 /nfs/dbraw/zinc/38/94/99/134389499.db2.gz WUSWMRASACCZSY-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000227822559 134389500 /nfs/dbraw/zinc/38/95/00/134389500.db2.gz WUSWMRASACCZSY-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000227822559 134389502 /nfs/dbraw/zinc/38/95/02/134389502.db2.gz WUSWMRASACCZSY-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](Cc1ccccc1)[N@H+](C)CCCN ZINC000227741968 134392063 /nfs/dbraw/zinc/39/20/63/134392063.db2.gz UUTKJNGQGLJZHU-CQSZACIVSA-N 1 3 220.360 2.288 20 0 BEADHO CC[C@H](Cc1ccccc1)[N@@H+](C)CCCN ZINC000227741968 134392064 /nfs/dbraw/zinc/39/20/64/134392064.db2.gz UUTKJNGQGLJZHU-CQSZACIVSA-N 1 3 220.360 2.288 20 0 BEADHO CC[C@H](Cc1ccccc1)N(C)CCC[NH3+] ZINC000227741968 134392065 /nfs/dbraw/zinc/39/20/65/134392065.db2.gz UUTKJNGQGLJZHU-CQSZACIVSA-N 1 3 220.360 2.288 20 0 BEADHO CC[C@H](COC)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132126571 134641524 /nfs/dbraw/zinc/64/15/24/134641524.db2.gz IWTSGAQXHPDFOA-DDTOSNHZSA-N 1 3 234.343 2.146 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000251733696 135075449 /nfs/dbraw/zinc/07/54/49/135075449.db2.gz JACKSXYTNGWUCF-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252018431 135082947 /nfs/dbraw/zinc/08/29/47/135082947.db2.gz WYOVUARAIRKMQA-ACJTYDJDSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C[C@H]1C ZINC000251976524 135082967 /nfs/dbraw/zinc/08/29/67/135082967.db2.gz YLIOJJZTNSRMGA-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000252124097 135084892 /nfs/dbraw/zinc/08/48/92/135084892.db2.gz JUXZVNCDYBRTCN-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@H](C)CN(CC)C[C@]1(C)CC[NH2+]C1 ZINC000086440224 135085810 /nfs/dbraw/zinc/08/58/10/135085810.db2.gz YSMFLGKSOAHNRM-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO C1CC1N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000086499876 135087656 /nfs/dbraw/zinc/08/76/56/135087656.db2.gz ZKIHBVNAKCCARB-XQQFMLRXSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CCNC2)C1 ZINC000086730290 135096011 /nfs/dbraw/zinc/09/60/11/135096011.db2.gz CUXNURRAYIXTJP-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO CC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252733124 135105118 /nfs/dbraw/zinc/10/51/18/135105118.db2.gz YACIYMGCMGWNQR-MVKMKZAISA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252733124 135105121 /nfs/dbraw/zinc/10/51/21/135105121.db2.gz YACIYMGCMGWNQR-MVKMKZAISA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000252733124 135105122 /nfs/dbraw/zinc/10/51/22/135105122.db2.gz YACIYMGCMGWNQR-MVKMKZAISA-N 1 3 208.349 2.001 20 0 BEADHO COc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000252895689 135116749 /nfs/dbraw/zinc/11/67/49/135116749.db2.gz ZGYKOAUGHLRSPA-IUODEOHRSA-N 1 3 248.370 2.125 20 0 BEADHO COc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000252895689 135116751 /nfs/dbraw/zinc/11/67/51/135116751.db2.gz ZGYKOAUGHLRSPA-IUODEOHRSA-N 1 3 248.370 2.125 20 0 BEADHO Cc1ccsc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000087308570 135121790 /nfs/dbraw/zinc/12/17/90/135121790.db2.gz HNJBGGSMMDTOLC-WDEREUQCSA-N 1 3 224.373 2.274 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000253118334 135121838 /nfs/dbraw/zinc/12/18/38/135121838.db2.gz HAOOSEZGYOBHKQ-ZDEQEGDKSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1CN ZINC000253246654 135125480 /nfs/dbraw/zinc/12/54/80/135125480.db2.gz SBIHQKKKMLLHFJ-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1CN ZINC000253246654 135125482 /nfs/dbraw/zinc/12/54/82/135125482.db2.gz SBIHQKKKMLLHFJ-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO Cc1ccsc1C[NH2+][C@H]1CCC[C@H]1N ZINC000258748565 135134001 /nfs/dbraw/zinc/13/40/01/135134001.db2.gz ACCZTTQNTQRXLG-ZJUUUORDSA-N 1 3 210.346 2.026 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944832 135136036 /nfs/dbraw/zinc/13/60/36/135136036.db2.gz KEHNPCXDVOZHNT-NWDGAFQWSA-N 1 3 224.735 2.309 20 0 BEADHO CC(C)CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257641471 135137707 /nfs/dbraw/zinc/13/77/07/135137707.db2.gz BAOVWNMCWOKAGQ-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1ccc(CCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000257721869 135141121 /nfs/dbraw/zinc/14/11/21/135141121.db2.gz VSKIHEXWDNBXNH-MRXNPFEDSA-N 1 3 244.382 2.223 20 0 BEADHO CNCCC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000087472193 135141450 /nfs/dbraw/zinc/14/14/50/135141450.db2.gz WFJBAPHIRXNMPB-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000087472193 135141452 /nfs/dbraw/zinc/14/14/52/135141452.db2.gz WFJBAPHIRXNMPB-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCC[C@@H](C)C1 ZINC000087472193 135141454 /nfs/dbraw/zinc/14/14/54/135141454.db2.gz WFJBAPHIRXNMPB-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H](CN)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000261545318 135142266 /nfs/dbraw/zinc/14/22/66/135142266.db2.gz FXPJGRODVDSDKM-MRVPVSSYSA-N 1 3 248.248 2.022 20 0 BEADHO NCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000259259306 135142771 /nfs/dbraw/zinc/14/27/71/135142771.db2.gz XGAVAZLAWTYVIM-UHFFFAOYSA-N 1 3 236.334 2.039 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000261530604 135158440 /nfs/dbraw/zinc/15/84/40/135158440.db2.gz CUFCAXXKWVDTMV-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@H]2CCC[NH2+]2)[C@@H]1C ZINC000261530822 135158904 /nfs/dbraw/zinc/15/89/04/135158904.db2.gz DFSJYTCDCBXGBU-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2)[C@@H]1C ZINC000261530822 135158906 /nfs/dbraw/zinc/15/89/06/135158906.db2.gz DFSJYTCDCBXGBU-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C([NH2+]C[C@@H]1CCCNC1)C1CCCCC1 ZINC000087646350 135161203 /nfs/dbraw/zinc/16/12/03/135161203.db2.gz IDGRFGUOOBFNNR-CYBMUJFWSA-N 1 3 210.365 2.156 20 0 BEADHO C[C@H]1CN(C[C@H]2CCC[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000261531842 135162033 /nfs/dbraw/zinc/16/20/33/135162033.db2.gz IALMBPNPHJGOON-VOAKCMCISA-N 1 3 210.365 2.092 20 0 BEADHO C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@H]2CCSC2)C1 ZINC000261532732 135163206 /nfs/dbraw/zinc/16/32/06/135163206.db2.gz DILAQRVEAXCFPM-ZDEQEGDKSA-N 1 3 240.416 2.002 20 0 BEADHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000261533590 135164967 /nfs/dbraw/zinc/16/49/67/135164967.db2.gz KZYQOWMVQMICMK-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCC(C)(C)C1 ZINC000261534481 135167003 /nfs/dbraw/zinc/16/70/03/135167003.db2.gz RDPKKIHJHGFTRL-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCC(C)(C)C1 ZINC000261534481 135167005 /nfs/dbraw/zinc/16/70/05/135167005.db2.gz RDPKKIHJHGFTRL-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1[C@H]([NH3+])CCN1CC1CCCCCC1 ZINC000261534856 135168410 /nfs/dbraw/zinc/16/84/10/135168410.db2.gz NFHFCLSXMCWUMF-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1CC1CCCCCC1 ZINC000261534854 135168478 /nfs/dbraw/zinc/16/84/78/135168478.db2.gz NFHFCLSXMCWUMF-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000261535801 135170711 /nfs/dbraw/zinc/17/07/11/135170711.db2.gz PGAKKJXSOOJLNE-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261535801 135170712 /nfs/dbraw/zinc/17/07/12/135170712.db2.gz PGAKKJXSOOJLNE-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]C[C@H]1CCCN(CCC2CCCC2)C1 ZINC000261535801 135170714 /nfs/dbraw/zinc/17/07/14/135170714.db2.gz PGAKKJXSOOJLNE-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000261536502 135171918 /nfs/dbraw/zinc/17/19/18/135171918.db2.gz RZEGZUTXLGLUGV-VOAKCMCISA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2)C[C@H]1C ZINC000261537706 135174941 /nfs/dbraw/zinc/17/49/41/135174941.db2.gz WFELSUDSWVFUSN-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261538719 135176420 /nfs/dbraw/zinc/17/64/20/135176420.db2.gz ZBJRIAHAIQSIKJ-NWDGAFQWSA-N 1 3 230.421 2.235 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261538898 135176794 /nfs/dbraw/zinc/17/67/94/135176794.db2.gz ZSWPITWONYNDLQ-SRVKXCTJSA-N 1 3 206.333 2.381 20 0 BEADHO C[C@H]1CN(CC2CCCCCC2)C[C@H]1[NH3+] ZINC000261538931 135176983 /nfs/dbraw/zinc/17/69/83/135176983.db2.gz ZVRBWVXUAJALGW-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CN(CC2CCCCCC2)C[C@H]1[NH3+] ZINC000261538930 135177270 /nfs/dbraw/zinc/17/72/70/135177270.db2.gz ZVRBWVXUAJALGW-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000261540969 135179941 /nfs/dbraw/zinc/17/99/41/135179941.db2.gz ASTKXPSEOHVVSF-KCPJHIHWSA-N 1 3 230.355 2.262 20 0 BEADHO CC[N@H+](CCc1cccs1)CC(C)(C)N ZINC000261543439 135184080 /nfs/dbraw/zinc/18/40/80/135184080.db2.gz HUBBQXAWNQJUHJ-UHFFFAOYSA-N 1 3 226.389 2.350 20 0 BEADHO CC[N@@H+](CCc1cccs1)CC(C)(C)N ZINC000261543439 135184081 /nfs/dbraw/zinc/18/40/81/135184081.db2.gz HUBBQXAWNQJUHJ-UHFFFAOYSA-N 1 3 226.389 2.350 20 0 BEADHO C[C@H]1C[N@H+](C[C@@H]2CCCNC2)C(C)(C)C1 ZINC000261549145 135187594 /nfs/dbraw/zinc/18/75/94/135187594.db2.gz OGHKUTZUFXUHPX-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1C[N@@H+](C[C@@H]2CCCNC2)C(C)(C)C1 ZINC000261549145 135187596 /nfs/dbraw/zinc/18/75/96/135187596.db2.gz OGHKUTZUFXUHPX-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO CCC(C)(C)CCN(C)C1CC[NH2+]CC1 ZINC000261550590 135188889 /nfs/dbraw/zinc/18/88/89/135188889.db2.gz PPQRFCXCDFBLOU-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CC[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261552338 135191130 /nfs/dbraw/zinc/19/11/30/135191130.db2.gz RDFBAFBXKNMERM-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@H](N(C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000261552339 135191243 /nfs/dbraw/zinc/19/12/43/135191243.db2.gz RDFBAFBXKNMERM-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ncsc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000084216808 135192612 /nfs/dbraw/zinc/19/26/12/135192612.db2.gz NTNYQFDCGIOWMU-QWRGUYRKSA-N 1 3 239.388 2.059 20 0 BEADHO C[C@H](CN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553592 135192869 /nfs/dbraw/zinc/19/28/69/135192869.db2.gz OBNHSEOTJIGQMB-HIFRSBDPSA-N 1 3 232.371 2.461 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000084217775 135193169 /nfs/dbraw/zinc/19/31/69/135193169.db2.gz DZMLAVGRKJTVIB-JQWIXIFHSA-N 1 3 224.373 2.008 20 0 BEADHO CCc1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261554050 135193500 /nfs/dbraw/zinc/19/35/00/135193500.db2.gz AOXVSQNJHNTAEQ-GDBMZVCRSA-N 1 3 244.382 2.290 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000261558465 135199667 /nfs/dbraw/zinc/19/96/67/135199667.db2.gz SMDHRCZCNLZFJG-SWLSCSKDSA-N 1 3 232.371 2.337 20 0 BEADHO CCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCOCC1 ZINC000261560189 135200791 /nfs/dbraw/zinc/20/07/91/135200791.db2.gz UJEIPOZHPSIFEM-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000261565144 135206971 /nfs/dbraw/zinc/20/69/71/135206971.db2.gz HQTBZGOZCRAUJH-IGRMKNIWSA-N 1 3 248.414 2.399 20 0 BEADHO Cc1ccsc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261575054 135216662 /nfs/dbraw/zinc/21/66/62/135216662.db2.gz JOKGIOXCQFFCGS-SDDRHHMPSA-N 1 3 236.384 2.226 20 0 BEADHO Cc1ccsc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261575057 135216803 /nfs/dbraw/zinc/21/68/03/135216803.db2.gz JOKGIOXCQFFCGS-TUAOUCFPSA-N 1 3 236.384 2.226 20 0 BEADHO C[C@H](CN1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000261581336 135222212 /nfs/dbraw/zinc/22/22/12/135222212.db2.gz QPBQNOXPLLRNRL-VNQPRFMTSA-N 1 3 244.382 2.331 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCC[C@H]2CCOC2)c2ccccc21 ZINC000261585574 135226897 /nfs/dbraw/zinc/22/68/97/135226897.db2.gz TWKVMURXPCOGGI-GLQYFDAESA-N 1 3 246.354 2.147 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)[C@@H](C)C1 ZINC000261590623 135231081 /nfs/dbraw/zinc/23/10/81/135231081.db2.gz UQMNJLKYNUHJAG-XHJNMGKDSA-N 1 3 224.392 2.399 20 0 BEADHO CCC(C)(C)CC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000261546686 135239174 /nfs/dbraw/zinc/23/91/74/135239174.db2.gz LFOTVAFIHORERU-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000261546686 135239175 /nfs/dbraw/zinc/23/91/75/135239175.db2.gz LFOTVAFIHORERU-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261548069 135241864 /nfs/dbraw/zinc/24/18/64/135241864.db2.gz JBCCGAUFHWRMHZ-OLZOCXBDSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@@H](CN1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652302 135242834 /nfs/dbraw/zinc/24/28/34/135242834.db2.gz BCXWNZFTRRUMCB-NWDGAFQWSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@H](CN)C1)c1ccc(F)cc1 ZINC000261652302 135242835 /nfs/dbraw/zinc/24/28/35/135242835.db2.gz BCXWNZFTRRUMCB-NWDGAFQWSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@H](CN)C1)c1ccc(F)cc1 ZINC000261652302 135242836 /nfs/dbraw/zinc/24/28/36/135242836.db2.gz BCXWNZFTRRUMCB-NWDGAFQWSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613990 135244342 /nfs/dbraw/zinc/24/43/42/135244342.db2.gz APCUMVYQUZTZOP-IUODEOHRSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@@H]1C[C@H](N(C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613990 135244343 /nfs/dbraw/zinc/24/43/43/135244343.db2.gz APCUMVYQUZTZOP-IUODEOHRSA-N 1 3 247.386 2.183 20 0 BEADHO NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC000261713578 135247620 /nfs/dbraw/zinc/24/76/20/135247620.db2.gz MTDYJSZWISGLKZ-CABCVRRESA-N 1 3 230.355 2.071 20 0 BEADHO NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1 ZINC000261713578 135247621 /nfs/dbraw/zinc/24/76/21/135247621.db2.gz MTDYJSZWISGLKZ-CABCVRRESA-N 1 3 230.355 2.071 20 0 BEADHO C[C@@H]1CC[C@@]2(CCN(C[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742114 135249220 /nfs/dbraw/zinc/24/92/20/135249220.db2.gz IPYBQJWJXJRRKF-QLFBSQMISA-N 1 3 236.403 2.498 20 0 BEADHO CCC[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261758071 135250395 /nfs/dbraw/zinc/25/03/95/135250395.db2.gz KXDZCGZFQXKGMY-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO COc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C ZINC000261787630 135252635 /nfs/dbraw/zinc/25/26/35/135252635.db2.gz FYYJGFKQUCXKPM-GXTWGEPZSA-N 1 3 248.370 2.173 20 0 BEADHO C[C@H]1CC[N@H+](C[C@H]2CCCNC2)CC1(C)C ZINC000261813357 135255310 /nfs/dbraw/zinc/25/53/10/135255310.db2.gz HVAWEDALHFXRML-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)CC1(C)C ZINC000261813357 135255311 /nfs/dbraw/zinc/25/53/11/135255311.db2.gz HVAWEDALHFXRML-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917406 135262632 /nfs/dbraw/zinc/26/26/32/135262632.db2.gz ZUHBSANXONROJQ-ZIAGYGMSSA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000261961717 135267221 /nfs/dbraw/zinc/26/72/21/135267221.db2.gz HJGBMLNDKDXVHO-RFQIPJPRSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H](COC)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000079713146 135355304 /nfs/dbraw/zinc/35/53/04/135355304.db2.gz YLBGBELYZLKZCT-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@H](COC)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079713146 135355306 /nfs/dbraw/zinc/35/53/06/135355306.db2.gz YLBGBELYZLKZCT-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000084218109 135467777 /nfs/dbraw/zinc/46/77/77/135467777.db2.gz AVZBYRCZTWTJEO-KGLIPLIRSA-N 1 3 218.344 2.212 20 0 BEADHO CC1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000086401865 135491206 /nfs/dbraw/zinc/49/12/06/135491206.db2.gz GUBGSODFOXBQMU-KPFVRQRISA-N 1 3 210.365 2.425 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000232728251 135668293 /nfs/dbraw/zinc/66/82/93/135668293.db2.gz COTHKTSTCQJBRA-RYUDHWBXSA-N 1 3 210.365 2.140 20 0 BEADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000334846800 135821862 /nfs/dbraw/zinc/82/18/62/135821862.db2.gz PXQBLGJZKYSZJF-QWHCGFSZSA-N 1 3 236.334 2.494 20 0 BEADHO CC(C)(C)N1CCC([NH2+][C@@H]2C[C@@H]2C(F)F)CC1 ZINC000348296409 136063183 /nfs/dbraw/zinc/06/31/83/136063183.db2.gz VZYNNEHGCJUVJV-WDEREUQCSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1CNC1 ZINC000335551590 136098026 /nfs/dbraw/zinc/09/80/26/136098026.db2.gz KBXDTSBTDHWMRL-CMPLNLGQSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+]C1CCNCC1 ZINC000335567011 136107897 /nfs/dbraw/zinc/10/78/97/136107897.db2.gz IBDXBTWKFJIHIF-JTQLQIEISA-N 1 3 224.373 2.459 20 0 BEADHO c1ccc2c(c1)NCCC[C@H]2[NH2+]C1CCNCC1 ZINC000335568921 136108650 /nfs/dbraw/zinc/10/86/50/136108650.db2.gz OPNIDFANBOGZSY-OAHLLOKOSA-N 1 3 245.370 2.275 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)N ZINC000335599088 136113794 /nfs/dbraw/zinc/11/37/94/136113794.db2.gz NCVNKOCNDLRPLD-ZWNOBZJWSA-N 1 3 218.344 2.247 20 0 BEADHO Cc1cccc(OCC[NH2+][C@H]2C[C@H](N)C2(C)C)c1 ZINC000404785180 397732762 /nfs/dbraw/zinc/73/27/62/397732762.db2.gz PHAKUQZHTAPXMQ-KBPBESRZSA-N 1 3 248.370 2.089 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CN1CCC(C)(C)C1CC1 ZINC000405983524 397777985 /nfs/dbraw/zinc/77/79/85/397777985.db2.gz BJERUDWDKUNUDD-CMPLNLGQSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCSc2ccccc21 ZINC000309254525 397854921 /nfs/dbraw/zinc/85/49/21/397854921.db2.gz AFHWYLJEXYVGQC-ZYHUDNBSSA-N 1 3 236.384 2.408 20 0 BEADHO CSCC[C@H](C)[N@H+](C)C[C@@H](N)CC(C)C ZINC000156886866 397926208 /nfs/dbraw/zinc/92/62/08/397926208.db2.gz INPGAKYWWZJVDG-RYUDHWBXSA-N 1 3 232.437 2.433 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)C[C@@H](N)CC(C)C ZINC000156886866 397926212 /nfs/dbraw/zinc/92/62/12/397926212.db2.gz INPGAKYWWZJVDG-RYUDHWBXSA-N 1 3 232.437 2.433 20 0 BEADHO Cc1ccc(CCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000334141480 397999994 /nfs/dbraw/zinc/99/99/94/397999994.db2.gz HMNOKLIRGOARLQ-HZPDHXFCSA-N 1 3 244.382 2.079 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657547 398005860 /nfs/dbraw/zinc/00/58/60/398005860.db2.gz HQYGHMLFZCKXMH-VDERGJSUSA-N 1 3 244.382 2.459 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657547 398005862 /nfs/dbraw/zinc/00/58/62/398005862.db2.gz HQYGHMLFZCKXMH-VDERGJSUSA-N 1 3 244.382 2.459 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657545 398006009 /nfs/dbraw/zinc/00/60/09/398006009.db2.gz HQYGHMLFZCKXMH-SDADXPQNSA-N 1 3 244.382 2.459 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657545 398006010 /nfs/dbraw/zinc/00/60/10/398006010.db2.gz HQYGHMLFZCKXMH-SDADXPQNSA-N 1 3 244.382 2.459 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccc(F)cc1 ZINC000414829699 398050297 /nfs/dbraw/zinc/05/02/97/398050297.db2.gz BHYOYGSMQPJXRL-VXGBXAGGSA-N 1 3 238.350 2.202 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414829699 398050302 /nfs/dbraw/zinc/05/03/02/398050302.db2.gz BHYOYGSMQPJXRL-VXGBXAGGSA-N 1 3 238.350 2.202 20 0 BEADHO C1CC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000086494441 398055375 /nfs/dbraw/zinc/05/53/75/398055375.db2.gz MRUGVJXLUDOKBZ-FRRDWIJNSA-N 1 3 208.349 2.049 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccoc2)C1 ZINC000449089324 398058557 /nfs/dbraw/zinc/05/85/57/398058557.db2.gz JWELQWYAMXSTDC-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@@H+]1CC[C@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449089324 398058560 /nfs/dbraw/zinc/05/85/60/398058560.db2.gz JWELQWYAMXSTDC-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@H](CN[C@H](C)Cc2ccoc2)C1 ZINC000449089324 398058564 /nfs/dbraw/zinc/05/85/64/398058564.db2.gz JWELQWYAMXSTDC-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000390837729 398107530 /nfs/dbraw/zinc/10/75/30/398107530.db2.gz AOHDNFSZMCTOAU-HBNTYKKESA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCCNCC1 ZINC000128908023 398097880 /nfs/dbraw/zinc/09/78/80/398097880.db2.gz CDVUKLZHBLNSSX-STQMWFEESA-N 1 3 236.359 2.332 20 0 BEADHO C[C@@H](CCc1ccco1)N[C@H]1CCC[NH2+]CC1 ZINC000128908023 398097883 /nfs/dbraw/zinc/09/78/83/398097883.db2.gz CDVUKLZHBLNSSX-STQMWFEESA-N 1 3 236.359 2.332 20 0 BEADHO CC(C)C1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000335009300 398124974 /nfs/dbraw/zinc/12/49/74/398124974.db2.gz VTLNQOCUJMOATH-FOSCPWQOSA-N 1 3 208.349 2.048 20 0 BEADHO C[C@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@@H]1N ZINC000382254331 487535994 /nfs/dbraw/zinc/53/59/94/487535994.db2.gz VVZDTUNYIIWSMK-AAEUAGOBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@@H]1N ZINC000382254331 487536000 /nfs/dbraw/zinc/53/60/00/487536000.db2.gz VVZDTUNYIIWSMK-AAEUAGOBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1CN(CCC(C)(C)C2CC2)CC[C@@H]1[NH3+] ZINC000382254331 487536004 /nfs/dbraw/zinc/53/60/04/487536004.db2.gz VVZDTUNYIIWSMK-AAEUAGOBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@H]1N ZINC000382254335 487536028 /nfs/dbraw/zinc/53/60/28/487536028.db2.gz VVZDTUNYIIWSMK-DGCLKSJQSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@H]1N ZINC000382254335 487536030 /nfs/dbraw/zinc/53/60/30/487536030.db2.gz VVZDTUNYIIWSMK-DGCLKSJQSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CN(CCC(C)(C)C2CC2)CC[C@H]1[NH3+] ZINC000382254335 487536034 /nfs/dbraw/zinc/53/60/34/487536034.db2.gz VVZDTUNYIIWSMK-DGCLKSJQSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)OCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160049956 167245320 /nfs/dbraw/zinc/24/53/20/167245320.db2.gz VALGQLMYHBEMHX-KBPBESRZSA-N 1 3 242.407 2.312 20 0 BEADHO CNC[C@H]1CCC[N@@H+]1CCC(C)(C)C1CC1 ZINC000406051030 487585384 /nfs/dbraw/zinc/58/53/84/487585384.db2.gz HHSQWFHRKHVJLW-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@H]1CCC[N@H+]1CCC(C)(C)C1CC1 ZINC000406051030 487585391 /nfs/dbraw/zinc/58/53/91/487585391.db2.gz HHSQWFHRKHVJLW-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CN(CCC(C)(C)C1CC1)C1CC[NH2+]CC1 ZINC000405950275 487585529 /nfs/dbraw/zinc/58/55/29/487585529.db2.gz AAOFWGIWXWPDAP-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](C[NH2+][C@H]1CS[C@@H](C)C1)CN1CCCC1 ZINC000086935927 487587384 /nfs/dbraw/zinc/58/73/84/487587384.db2.gz QNCZCNDCSNBKMN-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H](CN[C@H]1CS[C@@H](C)C1)C[NH+]1CCCC1 ZINC000086935927 487587388 /nfs/dbraw/zinc/58/73/88/487587388.db2.gz QNCZCNDCSNBKMN-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCCN ZINC000162599301 487591678 /nfs/dbraw/zinc/59/16/78/487591678.db2.gz LCBDFTVEUUQATM-LLVKDONJSA-N 1 3 224.323 2.037 20 0 BEADHO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCCN ZINC000162599301 487591683 /nfs/dbraw/zinc/59/16/83/487591683.db2.gz LCBDFTVEUUQATM-LLVKDONJSA-N 1 3 224.323 2.037 20 0 BEADHO Clc1sccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000312764161 322923219 /nfs/dbraw/zinc/92/32/19/322923219.db2.gz LPSHVMJRTARZGF-VIFPVBQESA-N 1 3 244.791 2.491 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662244506 409535909 /nfs/dbraw/zinc/53/59/09/409535909.db2.gz HUDMYJSGVJZGNW-DGCLKSJQSA-N 1 3 208.349 2.012 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244506 409535910 /nfs/dbraw/zinc/53/59/10/409535910.db2.gz HUDMYJSGVJZGNW-DGCLKSJQSA-N 1 3 208.349 2.012 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1CCN ZINC000662285840 409619187 /nfs/dbraw/zinc/61/91/87/409619187.db2.gz NPKQNJLDNOPVGV-UXXRCYHCSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)[C@@H]1CCN ZINC000662285840 409619189 /nfs/dbraw/zinc/61/91/89/409619189.db2.gz NPKQNJLDNOPVGV-UXXRCYHCSA-N 1 3 236.403 2.482 20 0 BEADHO [NH3+]CCCN1CCC[C@@H](c2ccccc2)C1 ZINC000662285107 409615348 /nfs/dbraw/zinc/61/53/48/409615348.db2.gz WQVYCUYMPLETEB-CQSZACIVSA-N 1 3 218.344 2.215 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662285107 409615352 /nfs/dbraw/zinc/61/53/52/409615352.db2.gz WQVYCUYMPLETEB-CQSZACIVSA-N 1 3 218.344 2.215 20 0 BEADHO NCCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662285107 409615357 /nfs/dbraw/zinc/61/53/57/409615357.db2.gz WQVYCUYMPLETEB-CQSZACIVSA-N 1 3 218.344 2.215 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])c(C)c1 ZINC000259119737 409732146 /nfs/dbraw/zinc/73/21/46/409732146.db2.gz TVLDIYPECVUTCX-LSDHHAIUSA-N 1 3 232.371 2.315 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]C[C@H](C)CN(C)C ZINC000308911327 409937917 /nfs/dbraw/zinc/93/79/17/409937917.db2.gz MQQRUIKDLVGXBK-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@]1(C[NH3+])CCN(Cc2cccc3c2CCC3)C1 ZINC000650703104 410332571 /nfs/dbraw/zinc/33/25/71/410332571.db2.gz KZUBPBLLVXIWJR-INIZCTEOSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@@]1(CN)CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650703104 410332575 /nfs/dbraw/zinc/33/25/75/410332575.db2.gz KZUBPBLLVXIWJR-INIZCTEOSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703104 410332579 /nfs/dbraw/zinc/33/25/79/410332579.db2.gz KZUBPBLLVXIWJR-INIZCTEOSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@]1(C[NH3+])CCN(Cc2cccc3c2CCC3)C1 ZINC000650703105 410333738 /nfs/dbraw/zinc/33/37/38/410333738.db2.gz KZUBPBLLVXIWJR-MRXNPFEDSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@]1(CN)CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000650703105 410333747 /nfs/dbraw/zinc/33/37/47/410333747.db2.gz KZUBPBLLVXIWJR-MRXNPFEDSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@]1(CN)CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000650703105 410333755 /nfs/dbraw/zinc/33/37/55/410333755.db2.gz KZUBPBLLVXIWJR-MRXNPFEDSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650703281 410335380 /nfs/dbraw/zinc/33/53/80/410335380.db2.gz SNYHTYYKMFNUCV-JSGCOSHPSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1CN(Cc2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000650703245 410335757 /nfs/dbraw/zinc/33/57/57/410335757.db2.gz QYZUBTWLWWUKFV-BLLLJJGKSA-N 1 3 244.382 2.344 20 0 BEADHO C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000650755230 410402376 /nfs/dbraw/zinc/40/23/76/410402376.db2.gz AEWGBRONGJPPCY-YWPYICTPSA-N 1 3 248.370 2.062 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC000665266706 410739172 /nfs/dbraw/zinc/73/91/72/410739172.db2.gz HYZIAWDGAPAJDF-QWHCGFSZSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266713 410739915 /nfs/dbraw/zinc/73/99/15/410739915.db2.gz IDRLSBGNIMXKOW-GRYCIOLGSA-N 1 3 246.345 2.400 20 0 BEADHO C(N[C@@H]1CCCC12CCC2)C12CC(C1)C[NH2+]2 ZINC000665280251 410754831 /nfs/dbraw/zinc/75/48/31/410754831.db2.gz WSWOQFKTSLWART-MBHSVXNSSA-N 1 3 220.360 2.051 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCC2)C12CC(C1)CN2 ZINC000665280251 410754835 /nfs/dbraw/zinc/75/48/35/410754835.db2.gz WSWOQFKTSLWART-MBHSVXNSSA-N 1 3 220.360 2.051 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)[C@H]1C[C@@H]1C ZINC000665282973 410762419 /nfs/dbraw/zinc/76/24/19/410762419.db2.gz FNTZTUVXHNWLQV-RVMXOQNASA-N 1 3 212.381 2.384 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1CCCF ZINC000665297883 410823822 /nfs/dbraw/zinc/82/38/22/410823822.db2.gz NKUWJERLURFHND-SDDRHHMPSA-N 1 3 216.344 2.102 20 0 BEADHO C[NH2+]C[C@@H](C)NC1CCc2ccccc2CC1 ZINC000665297447 410818157 /nfs/dbraw/zinc/81/81/57/410818157.db2.gz GAPQYIJRCSEAJA-GFCCVEGCSA-N 1 3 232.371 2.132 20 0 BEADHO CC(C)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000019912956 167003603 /nfs/dbraw/zinc/00/36/03/167003603.db2.gz ASPYMTATKKHQCA-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CN(CCC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000399794555 411065556 /nfs/dbraw/zinc/06/55/56/411065556.db2.gz VSSFUSIHUKQOGK-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000651865841 411147905 /nfs/dbraw/zinc/14/79/05/411147905.db2.gz JIGJQFKVQSUWIK-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CCO[C@@H](C)C1 ZINC000651865841 411147906 /nfs/dbraw/zinc/14/79/06/411147906.db2.gz JIGJQFKVQSUWIK-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCO[C@@H](C)C1 ZINC000651865841 411147907 /nfs/dbraw/zinc/14/79/07/411147907.db2.gz JIGJQFKVQSUWIK-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009880 411172972 /nfs/dbraw/zinc/17/29/72/411172972.db2.gz CIIKLEYYTBMOOL-LSDHHAIUSA-N 1 3 234.387 2.369 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CC3CC=CC3)CC[C@H]21 ZINC000660009880 411172974 /nfs/dbraw/zinc/17/29/74/411172974.db2.gz CIIKLEYYTBMOOL-LSDHHAIUSA-N 1 3 234.387 2.369 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657938880 411174629 /nfs/dbraw/zinc/17/46/29/411174629.db2.gz RJNHHNJDDOQVJF-ZDUSSCGKSA-N 1 3 240.416 2.124 20 0 BEADHO c1c2ccccc2[nH]c1CNCCC[NH+]1CCC1 ZINC000655754491 411183896 /nfs/dbraw/zinc/18/38/96/411183896.db2.gz XMKXSCZHERRKNM-UHFFFAOYSA-N 1 3 243.354 2.353 20 0 BEADHO CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000656193078 411198525 /nfs/dbraw/zinc/19/85/25/411198525.db2.gz MBIBRLDNEOWSQN-OLZOCXBDSA-N 1 3 242.407 2.035 20 0 BEADHO COC[C@@H](CC(C)(C)C)[NH2+]CCNC(C)(C)C ZINC000656193869 411199307 /nfs/dbraw/zinc/19/93/07/411199307.db2.gz WLAZYNKPWRPFOA-GFCCVEGCSA-N 1 3 244.423 2.415 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCOCC1 ZINC000656197069 411202289 /nfs/dbraw/zinc/20/22/89/411202289.db2.gz BBEPFJGDOUUTOT-RDBSUJKOSA-N 1 3 240.391 2.051 20 0 BEADHO CCOC1CC(CC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000656198661 411203121 /nfs/dbraw/zinc/20/31/21/411203121.db2.gz BVIUKVDUMYHSMH-QPPOZKHWSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)[C@@H]1CCN ZINC000652356108 411214615 /nfs/dbraw/zinc/21/46/15/411214615.db2.gz SCDOEEXXZNIFLV-IUODEOHRSA-N 1 3 247.386 2.218 20 0 BEADHO C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@@H]1CCN ZINC000652356108 411214618 /nfs/dbraw/zinc/21/46/18/411214618.db2.gz SCDOEEXXZNIFLV-IUODEOHRSA-N 1 3 247.386 2.218 20 0 BEADHO C([C@H]1CC[NH2+]C1)N(C1CC1)C1CCCC1 ZINC000309720081 411218856 /nfs/dbraw/zinc/21/88/56/411218856.db2.gz VQJDEJDWVJZTCB-NSHDSACASA-N 1 3 208.349 2.003 20 0 BEADHO COCC[C@H](C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423173432 411236008 /nfs/dbraw/zinc/23/60/08/411236008.db2.gz YOQBHOOUKRDEHW-TUKIKUTGSA-N 1 3 248.370 2.393 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)SC2)C1 ZINC000655693954 411239726 /nfs/dbraw/zinc/23/97/26/411239726.db2.gz BIQKVFOAOLXVQU-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO c1ccc([C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000051890179 411284473 /nfs/dbraw/zinc/28/44/73/411284473.db2.gz GVPORTGQBXZZQJ-HIFRSBDPSA-N 1 3 230.355 2.085 20 0 BEADHO CCC1(C)CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000062954020 411329251 /nfs/dbraw/zinc/32/92/51/411329251.db2.gz WLYHSVGLBNEZRW-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CC1 ZINC000658236328 411306200 /nfs/dbraw/zinc/30/62/00/411306200.db2.gz INWQLCYMKMXVCQ-CHWSQXEVSA-N 1 3 210.365 2.249 20 0 BEADHO c1ccc2c(c1)CCCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000062944701 411325063 /nfs/dbraw/zinc/32/50/63/411325063.db2.gz HCOQZDXWFLRSFP-CYBMUJFWSA-N 1 3 230.355 2.044 20 0 BEADHO CCc1ccc(CN2CC[C@H](C[NH3+])C2)s1 ZINC000050248240 411256128 /nfs/dbraw/zinc/25/61/28/411256128.db2.gz IPRIUBLYWMWBCL-SNVBAGLBSA-N 1 3 224.373 2.091 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)c1ccccn1 ZINC000656782018 411360467 /nfs/dbraw/zinc/36/04/67/411360467.db2.gz CQPFEEXOGQDTOR-BFHYXJOUSA-N 1 3 247.386 2.305 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccn1 ZINC000656783933 411361911 /nfs/dbraw/zinc/36/19/11/411361911.db2.gz WKESVJQBYCYQET-JHJVBQTASA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)c1ccccn1 ZINC000656783933 411361914 /nfs/dbraw/zinc/36/19/14/411361914.db2.gz WKESVJQBYCYQET-JHJVBQTASA-N 1 3 233.359 2.045 20 0 BEADHO C([C@H]1CCC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000656787537 411365818 /nfs/dbraw/zinc/36/58/18/411365818.db2.gz MABBKPAQLJLFRQ-ZDUSSCGKSA-N 1 3 236.403 2.498 20 0 BEADHO C([C@H]1CCCNC1)[NH+]1CCC(C2CCC2)CC1 ZINC000656787537 411365822 /nfs/dbraw/zinc/36/58/22/411365822.db2.gz MABBKPAQLJLFRQ-ZDUSSCGKSA-N 1 3 236.403 2.498 20 0 BEADHO C[N@H+](Cc1cccc2ncccc12)CC(C)(C)N ZINC000656787366 411366430 /nfs/dbraw/zinc/36/64/30/411366430.db2.gz JDMJRQMUKLZPHH-UHFFFAOYSA-N 1 3 243.354 2.404 20 0 BEADHO C[N@@H+](Cc1cccc2ncccc12)CC(C)(C)N ZINC000656787366 411366432 /nfs/dbraw/zinc/36/64/32/411366432.db2.gz JDMJRQMUKLZPHH-UHFFFAOYSA-N 1 3 243.354 2.404 20 0 BEADHO C[C@@H]1C[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789343 411368918 /nfs/dbraw/zinc/36/89/18/411368918.db2.gz WEHDNRVCCFLPKG-DTZQCDIJSA-N 1 3 244.382 2.378 20 0 BEADHO COc1cccc([C@@]2(C)CCN(CCC[NH3+])C2)c1 ZINC000656791420 411370478 /nfs/dbraw/zinc/37/04/78/411370478.db2.gz GACHHSWXKYBLAA-HNNXBMFYSA-N 1 3 248.370 2.007 20 0 BEADHO FCC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000656791845 411371824 /nfs/dbraw/zinc/37/18/24/411371824.db2.gz KYDWZDWLNSXXME-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000656791845 411371828 /nfs/dbraw/zinc/37/18/28/411371828.db2.gz KYDWZDWLNSXXME-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000656791845 411371833 /nfs/dbraw/zinc/37/18/33/411371833.db2.gz KYDWZDWLNSXXME-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000403324306 411341919 /nfs/dbraw/zinc/34/19/19/411341919.db2.gz NHWMKFWSTAXABL-MRTXSQPYSA-N 1 3 222.376 2.295 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403423585 411345086 /nfs/dbraw/zinc/34/50/86/411345086.db2.gz WQPFKCGNXXQKDQ-ITGHMWBKSA-N 1 3 222.376 2.282 20 0 BEADHO CC1=CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000075423277 168114544 /nfs/dbraw/zinc/11/45/44/168114544.db2.gz IRZBOTUQHBPTJJ-UHFFFAOYSA-N 1 3 216.328 2.297 20 0 BEADHO CC1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000063144897 168155328 /nfs/dbraw/zinc/15/53/28/168155328.db2.gz AELIQLMWAILUBP-UHFFFAOYSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCC(C)CC1 ZINC000336777967 168179209 /nfs/dbraw/zinc/17/92/09/168179209.db2.gz JZVDVVXEVOOXNL-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1cccnc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404286476 411388428 /nfs/dbraw/zinc/38/84/28/411388428.db2.gz IFRGYDIYQKEJGH-DZGCQCFKSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@H](NCCC1CC[NH2+]CC1)c1nccs1 ZINC000070733418 411384718 /nfs/dbraw/zinc/38/47/18/411384718.db2.gz ROGSSYLMJNZDIE-JTQLQIEISA-N 1 3 239.388 2.183 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+]CCCN(CC)CC)CCO1 ZINC000070344706 411391926 /nfs/dbraw/zinc/39/19/26/411391926.db2.gz DJJDPTRXGMARQR-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H]1CCCN(CCc2cccnc2)[C@@H]1CC[NH3+] ZINC000404278375 411387414 /nfs/dbraw/zinc/38/74/14/411387414.db2.gz CFKZIHIIIGFBKE-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1CCC[N@H+](CCc2cccnc2)[C@@H]1CCN ZINC000404278375 411387418 /nfs/dbraw/zinc/38/74/18/411387418.db2.gz CFKZIHIIIGFBKE-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1CCC[N@@H+](CCc2cccnc2)[C@@H]1CCN ZINC000404278375 411387422 /nfs/dbraw/zinc/38/74/22/411387422.db2.gz CFKZIHIIIGFBKE-DZGCQCFKSA-N 1 3 247.386 2.073 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000070346242 411391996 /nfs/dbraw/zinc/39/19/96/411391996.db2.gz CIONQECJLPLYPO-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)[C@@H]1CCN ZINC000404492787 411399536 /nfs/dbraw/zinc/39/95/36/411399536.db2.gz CMFFBBHWJIJEJW-JHJVBQTASA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)[C@@H]1CCN ZINC000404492787 411399538 /nfs/dbraw/zinc/39/95/38/411399538.db2.gz CMFFBBHWJIJEJW-JHJVBQTASA-N 1 3 242.432 2.189 20 0 BEADHO C[C@H]1CN(C[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880764 411410956 /nfs/dbraw/zinc/41/09/56/411410956.db2.gz FVQYXAYFJZRMOH-KBPBESRZSA-N 1 3 244.382 2.258 20 0 BEADHO C[C@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000655738194 411444828 /nfs/dbraw/zinc/44/48/28/411444828.db2.gz JJDJDSLKKHHUNQ-AAEUAGOBSA-N 1 3 240.416 2.122 20 0 BEADHO CCc1cc(OC)ccc1CNCC[C@@H](C)[NH3+] ZINC000414824172 411448354 /nfs/dbraw/zinc/44/83/54/411448354.db2.gz QEVRVFDFNYFPKR-LLVKDONJSA-N 1 3 236.359 2.085 20 0 BEADHO CC[C@H]1C[C@@H](NC2CC[NH+](C(C)C)CC2)CO1 ZINC000657294089 411450131 /nfs/dbraw/zinc/45/01/31/411450131.db2.gz CYUSROVXKNZVOY-KGLIPLIRSA-N 1 3 240.391 2.016 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CC2CC=CC2)CC1 ZINC000660415810 411488894 /nfs/dbraw/zinc/48/88/94/411488894.db2.gz JAJZPIPNMCZNNW-AWEZNQCLSA-N 1 3 222.376 2.369 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000660415810 411488897 /nfs/dbraw/zinc/48/88/97/411488897.db2.gz JAJZPIPNMCZNNW-AWEZNQCLSA-N 1 3 222.376 2.369 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC000660415697 411489337 /nfs/dbraw/zinc/48/93/37/411489337.db2.gz IAZCUIFDEUOELQ-OAHLLOKOSA-N 1 3 247.386 2.185 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC000660415697 411489339 /nfs/dbraw/zinc/48/93/39/411489339.db2.gz IAZCUIFDEUOELQ-OAHLLOKOSA-N 1 3 247.386 2.185 20 0 BEADHO C([C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CCCC1 ZINC000659948917 411508465 /nfs/dbraw/zinc/50/84/65/411508465.db2.gz UDPRPRAZKXFNKQ-JONQDZQNSA-N 1 3 248.414 2.450 20 0 BEADHO C([C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CCCC1 ZINC000659948917 411508467 /nfs/dbraw/zinc/50/84/67/411508467.db2.gz UDPRPRAZKXFNKQ-JONQDZQNSA-N 1 3 248.414 2.450 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nccs1 ZINC000655805380 411519169 /nfs/dbraw/zinc/51/91/69/411519169.db2.gz MVDNBKPSSVJHTA-MXWKQRLJSA-N 1 3 239.388 2.134 20 0 BEADHO c1cc(N2CCN(CCC3CCC3)CC2)cc[nH+]1 ZINC000660002926 411526092 /nfs/dbraw/zinc/52/60/92/411526092.db2.gz CHXFZZQDKHKDNY-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000304244740 170008136 /nfs/dbraw/zinc/00/81/36/170008136.db2.gz FIXLCYHQUOAEPO-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCSC)C[C@@H]1C ZINC000336652066 170017752 /nfs/dbraw/zinc/01/77/52/170017752.db2.gz WGKPKGOZMWTXRM-RYUDHWBXSA-N 1 3 230.421 2.154 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCSC)C[C@@H]1C ZINC000336652066 170017753 /nfs/dbraw/zinc/01/77/53/170017753.db2.gz WGKPKGOZMWTXRM-RYUDHWBXSA-N 1 3 230.421 2.154 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCSC)C[C@H]1C ZINC000336652064 170018846 /nfs/dbraw/zinc/01/88/46/170018846.db2.gz WGKPKGOZMWTXRM-NEPJUHHUSA-N 1 3 230.421 2.154 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCSC)C[C@H]1C ZINC000336652064 170018847 /nfs/dbraw/zinc/01/88/47/170018847.db2.gz WGKPKGOZMWTXRM-NEPJUHHUSA-N 1 3 230.421 2.154 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCc2ccco2)[C@@H](C)C1 ZINC000359425946 170021342 /nfs/dbraw/zinc/02/13/42/170021342.db2.gz OISFXISJZCXXBA-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@H](NCCc2ccco2)[C@@H](C)C1 ZINC000359425946 170021343 /nfs/dbraw/zinc/02/13/43/170021343.db2.gz OISFXISJZCXXBA-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000034822367 170141967 /nfs/dbraw/zinc/14/19/67/170141967.db2.gz DEWAQFBNZSECFB-LBPRGKRZSA-N 1 3 236.359 2.298 20 0 BEADHO CC[NH2+]CC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000131498477 411546226 /nfs/dbraw/zinc/54/62/26/411546226.db2.gz KLHCEEVUOHHJIE-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO CC(C)(F)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657645273 411568969 /nfs/dbraw/zinc/56/89/69/411568969.db2.gz QEINEHCLXSVVHO-NEPJUHHUSA-N 1 3 228.355 2.341 20 0 BEADHO CC(C)(F)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657645273 411568971 /nfs/dbraw/zinc/56/89/71/411568971.db2.gz QEINEHCLXSVVHO-NEPJUHHUSA-N 1 3 228.355 2.341 20 0 BEADHO c1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)co1 ZINC000657653328 411570250 /nfs/dbraw/zinc/57/02/50/411570250.db2.gz JJZJZAPHNIFSGK-KBPBESRZSA-N 1 3 234.343 2.039 20 0 BEADHO c1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)co1 ZINC000657653328 411570252 /nfs/dbraw/zinc/57/02/52/411570252.db2.gz JJZJZAPHNIFSGK-KBPBESRZSA-N 1 3 234.343 2.039 20 0 BEADHO c1cc2c(ccnc2NCC[NH+]2CCCCC2)[nH]1 ZINC000663390652 411645526 /nfs/dbraw/zinc/64/55/26/411645526.db2.gz RTAMTKDFNRJMDF-UHFFFAOYSA-N 1 3 244.342 2.461 20 0 BEADHO CC[N@@H+]1CCCN(c2nccc3[nH]ccc32)CC1 ZINC000663578677 411705347 /nfs/dbraw/zinc/70/53/47/411705347.db2.gz JMQUNOMNLUDNBV-UHFFFAOYSA-N 1 3 244.342 2.095 20 0 BEADHO CC[N@H+]1CCCN(c2nccc3[nH]ccc32)CC1 ZINC000663578677 411705351 /nfs/dbraw/zinc/70/53/51/411705351.db2.gz JMQUNOMNLUDNBV-UHFFFAOYSA-N 1 3 244.342 2.095 20 0 BEADHO COc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1 ZINC000663497727 411679032 /nfs/dbraw/zinc/67/90/32/411679032.db2.gz FIGIRUSLPKYJMZ-CQSZACIVSA-N 1 3 236.359 2.158 20 0 BEADHO CC[C@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497768 411679214 /nfs/dbraw/zinc/67/92/14/411679214.db2.gz JVPPRTLRGUKHNS-AHPWVWPOSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497768 411679217 /nfs/dbraw/zinc/67/92/17/411679217.db2.gz JVPPRTLRGUKHNS-AHPWVWPOSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC(CCC)[NH2+]CC12CC(C1)CN2 ZINC000663497863 411679920 /nfs/dbraw/zinc/67/99/20/411679920.db2.gz LATJCNYVOKNSLD-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC(CCC)NCC12CC(C1)C[NH2+]2 ZINC000663497863 411679924 /nfs/dbraw/zinc/67/99/24/411679924.db2.gz LATJCNYVOKNSLD-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H](C)C[NH2+]CC[C@@H](N)C(C)C ZINC000663499222 411680537 /nfs/dbraw/zinc/68/05/37/411680537.db2.gz GZACLVSXPIFAEC-VXGBXAGGSA-N 1 3 200.370 2.386 20 0 BEADHO CC(C)[C@H]([NH3+])CCNC1Cc2ccccc2C1 ZINC000663504293 411687867 /nfs/dbraw/zinc/68/78/67/411687867.db2.gz YLQOIOKLWCOJGS-OAHLLOKOSA-N 1 3 232.371 2.117 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000663509283 411691911 /nfs/dbraw/zinc/69/19/11/411691911.db2.gz IQJWPNRHMBRXDP-CYZMBNFOSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](C)C[C@H](CC)N[C@H](C)C[NH2+]C ZINC000663514828 411692887 /nfs/dbraw/zinc/69/28/87/411692887.db2.gz UKOQVGFPTSSVHV-TUAOUCFPSA-N 1 3 200.370 2.399 20 0 BEADHO C[NH+](C)C1(CNc2nccc3[nH]ccc32)CC1 ZINC000664022042 411816883 /nfs/dbraw/zinc/81/68/83/411816883.db2.gz NNUKGRYKNGQZHS-UHFFFAOYSA-N 1 3 230.315 2.069 20 0 BEADHO Cc1cc(N[C@H](C)C[NH+]2CCC(C)CC2)ccn1 ZINC000664454242 411961322 /nfs/dbraw/zinc/96/13/22/411961322.db2.gz FCLSFCKVUTYKCM-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO CC(C)[C@@H](N)CC[N@H+](C)CC1CC=CC1 ZINC000662247809 412037493 /nfs/dbraw/zinc/03/74/93/412037493.db2.gz LOCKZNMTLZBEJZ-ZDUSSCGKSA-N 1 3 210.365 2.258 20 0 BEADHO CC(C)[C@@H](N)CC[N@@H+](C)CC1CC=CC1 ZINC000662247809 412037495 /nfs/dbraw/zinc/03/74/95/412037495.db2.gz LOCKZNMTLZBEJZ-ZDUSSCGKSA-N 1 3 210.365 2.258 20 0 BEADHO c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCCNCC1 ZINC000662240791 412037748 /nfs/dbraw/zinc/03/77/48/412037748.db2.gz MSAGLSJTQKATJY-HNNXBMFYSA-N 1 3 244.382 2.402 20 0 BEADHO c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCCNCC1 ZINC000662240791 412037750 /nfs/dbraw/zinc/03/77/50/412037750.db2.gz MSAGLSJTQKATJY-HNNXBMFYSA-N 1 3 244.382 2.402 20 0 BEADHO C1=CCC(CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000662243442 412039526 /nfs/dbraw/zinc/03/95/26/412039526.db2.gz BBZZAENADCKMID-UHFFFAOYSA-N 1 3 234.387 2.417 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662245504 412042148 /nfs/dbraw/zinc/04/21/48/412042148.db2.gz RTNWMUKWTVGKCO-AXFHLTTASA-N 1 3 234.334 2.337 20 0 BEADHO CC(C)=CCC[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000662245763 412043180 /nfs/dbraw/zinc/04/31/80/412043180.db2.gz OKZXUSFQLABCMR-STQMWFEESA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCC[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000662245763 412043184 /nfs/dbraw/zinc/04/31/84/412043184.db2.gz OKZXUSFQLABCMR-STQMWFEESA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662245763 412043187 /nfs/dbraw/zinc/04/31/87/412043187.db2.gz OKZXUSFQLABCMR-STQMWFEESA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1N ZINC000662270853 412062487 /nfs/dbraw/zinc/06/24/87/412062487.db2.gz PZZXQZTUMOPXIU-STQMWFEESA-N 1 3 208.349 2.012 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1N ZINC000662270853 412062489 /nfs/dbraw/zinc/06/24/89/412062489.db2.gz PZZXQZTUMOPXIU-STQMWFEESA-N 1 3 208.349 2.012 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662278168 412071208 /nfs/dbraw/zinc/07/12/08/412071208.db2.gz XAKHIWVKFUKSII-YVECIDJPSA-N 1 3 222.376 2.010 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC2CC1(C)C2 ZINC000662385629 412138123 /nfs/dbraw/zinc/13/81/23/412138123.db2.gz YLYKOQADXIQBKQ-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CCN(CC)CCC[N@H+]1CC2CC1(C)C2 ZINC000662385629 412138125 /nfs/dbraw/zinc/13/81/25/412138125.db2.gz YLYKOQADXIQBKQ-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)[C@H](C)[N@H+](CCCNC)C1CC1 ZINC000336674216 171386383 /nfs/dbraw/zinc/38/63/83/171386383.db2.gz KBVBWKQULVASRN-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H](C)[C@H](C)[N@@H+](CCCNC)C1CC1 ZINC000336674216 171386384 /nfs/dbraw/zinc/38/63/84/171386384.db2.gz KBVBWKQULVASRN-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO C[NH2+]CCCN1CCc2ccccc2C(C)(C)C1 ZINC000662299664 412086346 /nfs/dbraw/zinc/08/63/46/412086346.db2.gz UHNVYFRDCPGFLL-UHFFFAOYSA-N 1 3 246.398 2.432 20 0 BEADHO CNCCC[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299664 412086347 /nfs/dbraw/zinc/08/63/47/412086347.db2.gz UHNVYFRDCPGFLL-UHFFFAOYSA-N 1 3 246.398 2.432 20 0 BEADHO CNCCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000662299664 412086350 /nfs/dbraw/zinc/08/63/50/412086350.db2.gz UHNVYFRDCPGFLL-UHFFFAOYSA-N 1 3 246.398 2.432 20 0 BEADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CC1(C)C ZINC000662345688 412115136 /nfs/dbraw/zinc/11/51/36/412115136.db2.gz LCEFZRZFNCCBPN-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CC1(C)C ZINC000662345688 412115139 /nfs/dbraw/zinc/11/51/39/412115139.db2.gz LCEFZRZFNCCBPN-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](COCC1CC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000665236514 412177227 /nfs/dbraw/zinc/17/72/27/412177227.db2.gz OIVGIZYCBDEIEF-MJBXVCDLSA-N 1 3 240.391 2.051 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237453 412178711 /nfs/dbraw/zinc/17/87/11/412178711.db2.gz BGPPMHDJBOWDSY-STQMWFEESA-N 1 3 230.311 2.402 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000665239613 412180072 /nfs/dbraw/zinc/18/00/72/412180072.db2.gz VVVMQMFFYUQQIS-XQHKEYJVSA-N 1 3 224.392 2.256 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000665245471 412189207 /nfs/dbraw/zinc/18/92/07/412189207.db2.gz JSAVNBIJPHQENB-KGLIPLIRSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267358 412210230 /nfs/dbraw/zinc/21/02/30/412210230.db2.gz VIBWSGRADVGMQZ-OUAUKWLOSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]1(C)CC1(F)F ZINC000665267358 412210234 /nfs/dbraw/zinc/21/02/34/412210234.db2.gz VIBWSGRADVGMQZ-OUAUKWLOSA-N 1 3 232.318 2.009 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000665267236 412210314 /nfs/dbraw/zinc/21/03/14/412210314.db2.gz SIAGYZREEKTJTK-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C1CNC1 ZINC000665274648 412213458 /nfs/dbraw/zinc/21/34/58/412213458.db2.gz VCXNTVYCGVGDMI-QKIYJJFGSA-N 1 3 228.355 2.101 20 0 BEADHO C[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccccn1 ZINC000665231993 412168376 /nfs/dbraw/zinc/16/83/76/412168376.db2.gz CUYRDYAHPXDTEG-NFAWXSAZSA-N 1 3 247.386 2.435 20 0 BEADHO CC1(C)[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1(F)F ZINC000665274799 412217048 /nfs/dbraw/zinc/21/70/48/412217048.db2.gz YOYFCEQJVGPCNP-AEJSXWLSSA-N 1 3 232.318 2.137 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000665274166 412217776 /nfs/dbraw/zinc/21/77/76/412217776.db2.gz LHHOXQVAEMYHHW-OLZOCXBDSA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCC1=CCCC1 ZINC000665274166 412217778 /nfs/dbraw/zinc/21/77/78/412217778.db2.gz LHHOXQVAEMYHHW-OLZOCXBDSA-N 1 3 208.349 2.204 20 0 BEADHO C[C@H]1CCC[C@H](C)C1NCC12CC(C1)C[NH2+]2 ZINC000665277552 412220375 /nfs/dbraw/zinc/22/03/75/412220375.db2.gz FHIXUYNPPSMRPT-PZFKGIAWSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C1C(C)(C)C1(C)C ZINC000665279233 412222791 /nfs/dbraw/zinc/22/27/91/412222791.db2.gz ZTYDIYUAIRNHLA-RWWNRMGGSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H](NCC12CC(C1)C[NH2+]2)C1C(C)(C)C1(C)C ZINC000665279233 412222794 /nfs/dbraw/zinc/22/27/94/412222794.db2.gz ZTYDIYUAIRNHLA-RWWNRMGGSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H](C(C)C)C1CC1 ZINC000665281312 412226414 /nfs/dbraw/zinc/22/64/14/412226414.db2.gz ZMMTZQBQHFMYLY-CHWSQXEVSA-N 1 3 212.381 2.384 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1ccoc1 ZINC000665282415 412227733 /nfs/dbraw/zinc/22/77/33/412227733.db2.gz XTRAQBIJJFEDJS-WCQYABFASA-N 1 3 224.348 2.174 20 0 BEADHO CC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccncc1 ZINC000665282536 412228093 /nfs/dbraw/zinc/22/80/93/412228093.db2.gz ZVYYNCKAYHYJIZ-KGLIPLIRSA-N 1 3 235.375 2.496 20 0 BEADHO COc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1C ZINC000665294830 412240266 /nfs/dbraw/zinc/24/02/66/412240266.db2.gz XIGIGBULIMNYGX-QWRGUYRKSA-N 1 3 236.359 2.219 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1C(C)(C)C1(C)C ZINC000665296710 412245249 /nfs/dbraw/zinc/24/52/49/412245249.db2.gz WZMOHBPTTIPVBM-ZJUUUORDSA-N 1 3 212.381 2.255 20 0 BEADHO CC[C@H]1CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000336764686 171648308 /nfs/dbraw/zinc/64/83/08/171648308.db2.gz QASJUDUEYQRTKS-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO C[NH+]1CCC([C@H]2CCN(Cc3ccco3)C2)CC1 ZINC000290331651 173000013 /nfs/dbraw/zinc/00/00/13/173000013.db2.gz DURYXNJJFIGBHD-AWEZNQCLSA-N 1 3 248.370 2.443 20 0 BEADHO C[N@@H+]1CCC[C@H]2CN(CCC3CC3)CC[C@@H]21 ZINC000335904936 173059168 /nfs/dbraw/zinc/05/91/68/173059168.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CCC[C@H]2CN(CCC3CC3)CC[C@@H]21 ZINC000335904936 173059170 /nfs/dbraw/zinc/05/91/70/173059170.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000335904936 173059171 /nfs/dbraw/zinc/05/91/71/173059171.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000335904936 173059173 /nfs/dbraw/zinc/05/91/73/173059173.db2.gz NYEYWFWAYBDVLA-KBPBESRZSA-N 1 3 222.376 2.203 20 0 BEADHO C[NH2+]CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000063158979 173338712 /nfs/dbraw/zinc/33/87/12/173338712.db2.gz FFMSJKLHYXIDOT-LBPRGKRZSA-N 1 3 233.359 2.074 20 0 BEADHO CNCCC[NH+](CC(C)C)CC(C)C ZINC000042409737 173346733 /nfs/dbraw/zinc/34/67/33/173346733.db2.gz DWQJLBUAQYZCQB-UHFFFAOYSA-N 1 3 200.370 2.210 20 0 BEADHO C[NH2+]CCCN1CCC[C@H](CC(C)C)C1 ZINC000309651968 173346796 /nfs/dbraw/zinc/34/67/96/173346796.db2.gz UBKZHZPLVKEOQK-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000309651968 173346797 /nfs/dbraw/zinc/34/67/97/173346797.db2.gz UBKZHZPLVKEOQK-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000309651968 173346798 /nfs/dbraw/zinc/34/67/98/173346798.db2.gz UBKZHZPLVKEOQK-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000308940075 173347565 /nfs/dbraw/zinc/34/75/65/173347565.db2.gz RNBUPAXZUIGSFP-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO CNCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000308940075 173347567 /nfs/dbraw/zinc/34/75/67/173347567.db2.gz RNBUPAXZUIGSFP-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO C[NH2+]CCCN1CCC2(C1)CCCCC2 ZINC000308940075 173347568 /nfs/dbraw/zinc/34/75/68/173347568.db2.gz RNBUPAXZUIGSFP-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO C[NH2+]CCN(C)c1cc(C)nc2ccccc21 ZINC000053663827 173353513 /nfs/dbraw/zinc/35/35/13/173353513.db2.gz NWFNRYPOGHFXLF-UHFFFAOYSA-N 1 3 229.327 2.199 20 0 BEADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC000300967075 173368777 /nfs/dbraw/zinc/36/87/77/173368777.db2.gz RPZLXPUGISVTFU-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@@H]1CCC[N@H+]1C[C@@H](C)CC(C)C ZINC000300967075 173368778 /nfs/dbraw/zinc/36/87/78/173368778.db2.gz RPZLXPUGISVTFU-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227550575 173370692 /nfs/dbraw/zinc/37/06/92/173370692.db2.gz GNDJYIUWQFTCNE-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000227550575 173370694 /nfs/dbraw/zinc/37/06/94/173370694.db2.gz GNDJYIUWQFTCNE-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CCC[N@@H+](C2CCC(C)CC2)C1 ZINC000040591847 173378485 /nfs/dbraw/zinc/37/84/85/173378485.db2.gz HACMNYTVYYRJQE-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@H]1CCC[N@H+](C2CCC(C)CC2)C1 ZINC000040591847 173378486 /nfs/dbraw/zinc/37/84/86/173378486.db2.gz HACMNYTVYYRJQE-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000053031003 173380805 /nfs/dbraw/zinc/38/08/05/173380805.db2.gz ROSJLRYLMQUSBK-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000053031003 173380806 /nfs/dbraw/zinc/38/08/06/173380806.db2.gz ROSJLRYLMQUSBK-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000071147883 173381599 /nfs/dbraw/zinc/38/15/99/173381599.db2.gz PHUNMXKKBGJOCG-GFCCVEGCSA-N 1 3 241.338 2.281 20 0 BEADHO CNC[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000300965185 173381959 /nfs/dbraw/zinc/38/19/59/173381959.db2.gz RLIJABTYJGVGLW-QWHCGFSZSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC000300965185 173381961 /nfs/dbraw/zinc/38/19/61/173381961.db2.gz RLIJABTYJGVGLW-QWHCGFSZSA-N 1 3 212.381 2.210 20 0 BEADHO COCCCCCN(C)CCC[NH+]1CCCC1 ZINC000337283772 174175222 /nfs/dbraw/zinc/17/52/22/174175222.db2.gz YJCGMYWDVLHWLB-UHFFFAOYSA-N 1 3 242.407 2.221 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCN1 ZINC000235236081 176077024 /nfs/dbraw/zinc/07/70/24/176077024.db2.gz BMAPOBYHKKYUOD-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000226869766 176117044 /nfs/dbraw/zinc/11/70/44/176117044.db2.gz BNYFRJVVAAVKJT-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](CN)C2)C1 ZINC000226869766 176117045 /nfs/dbraw/zinc/11/70/45/176117045.db2.gz BNYFRJVVAAVKJT-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336717144 176217673 /nfs/dbraw/zinc/21/76/73/176217673.db2.gz XUVHLWQQVGGQPA-XQHKEYJVSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336717144 176217675 /nfs/dbraw/zinc/21/76/75/176217675.db2.gz XUVHLWQQVGGQPA-XQHKEYJVSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336717144 176217677 /nfs/dbraw/zinc/21/76/77/176217677.db2.gz XUVHLWQQVGGQPA-XQHKEYJVSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1 ZINC000073653773 176269444 /nfs/dbraw/zinc/26/94/44/176269444.db2.gz IOHGIIBXOUYHLW-OCCSQVGLSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1 ZINC000073653773 176269445 /nfs/dbraw/zinc/26/94/45/176269445.db2.gz IOHGIIBXOUYHLW-OCCSQVGLSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@@H]1C[C@@H](NCCC[NH3+])c2ccccc21 ZINC000336719747 176375543 /nfs/dbraw/zinc/37/55/43/176375543.db2.gz ZCMVZNSAVOSVEX-ZWNOBZJWSA-N 1 3 204.317 2.173 20 0 BEADHO C[C@@H]1C[C@@H]1CN(CCC[NH3+])Cc1ccccc1 ZINC000339406331 176391947 /nfs/dbraw/zinc/39/19/47/176391947.db2.gz GEGUPNWLMMYFKQ-UKRRQHHQSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000339406331 176391948 /nfs/dbraw/zinc/39/19/48/176391948.db2.gz GEGUPNWLMMYFKQ-UKRRQHHQSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000339406331 176391949 /nfs/dbraw/zinc/39/19/49/176391949.db2.gz GEGUPNWLMMYFKQ-UKRRQHHQSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000336769805 176398186 /nfs/dbraw/zinc/39/81/86/176398186.db2.gz VWNZRIWJHUFLQP-FDYHWXHSSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H](Cc1ccccc1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359460145 176723645 /nfs/dbraw/zinc/72/36/45/176723645.db2.gz VXUNRDFYNRUECY-FVQBIDKESA-N 1 3 244.382 2.016 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)CN(C)C ZINC000336668028 177088786 /nfs/dbraw/zinc/08/87/86/177088786.db2.gz DZHODBGSMGUHAD-FRRDWIJNSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]1CCCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607809 177088909 /nfs/dbraw/zinc/08/89/09/177088909.db2.gz HVBMYMZDXBTGKI-GXTWGEPZSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)[C@@H](C)C1 ZINC000226170923 177355509 /nfs/dbraw/zinc/35/55/09/177355509.db2.gz VPWYBMUIIVTFQE-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000340173137 177381870 /nfs/dbraw/zinc/38/18/70/177381870.db2.gz DHFCSXUJOLOFSA-WFASDCNBSA-N 1 3 232.371 2.494 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)CN1CCCCC1 ZINC000309740515 177381949 /nfs/dbraw/zinc/38/19/49/177381949.db2.gz HPMAKNMFHDYIJA-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO CN(C)CC(C)(C)C[NH2+]C/C=C/c1ccncc1 ZINC000486931120 225272066 /nfs/dbraw/zinc/27/20/66/225272066.db2.gz ABPOYOPEQKKCSH-AATRIKPKSA-N 1 3 247.386 2.272 20 0 BEADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000494080719 226260501 /nfs/dbraw/zinc/26/05/01/226260501.db2.gz VJLNAFWSTOVKIU-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](N[C@@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400342035 226341220 /nfs/dbraw/zinc/34/12/20/226341220.db2.gz GALZRROUMOETGW-NJZAAPMLSA-N 1 3 230.355 2.262 20 0 BEADHO C[C@@H]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000307576056 229216357 /nfs/dbraw/zinc/21/63/57/229216357.db2.gz LWVSSRANZONVSB-IPYPFGDCSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1CN ZINC000307576056 229216360 /nfs/dbraw/zinc/21/63/60/229216360.db2.gz LWVSSRANZONVSB-IPYPFGDCSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1CN ZINC000307576056 229216365 /nfs/dbraw/zinc/21/63/65/229216365.db2.gz LWVSSRANZONVSB-IPYPFGDCSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307576062 229216446 /nfs/dbraw/zinc/21/64/46/229216446.db2.gz LWVSSRANZONVSB-VNHYZAJKSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1CN ZINC000307576062 229216451 /nfs/dbraw/zinc/21/64/51/229216451.db2.gz LWVSSRANZONVSB-VNHYZAJKSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1CN ZINC000307576062 229216455 /nfs/dbraw/zinc/21/64/55/229216455.db2.gz LWVSSRANZONVSB-VNHYZAJKSA-N 1 3 232.371 2.492 20 0 BEADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000309120134 229361335 /nfs/dbraw/zinc/36/13/35/229361335.db2.gz SVHSMZDENDYQCY-SRVKXCTJSA-N 1 3 206.333 2.381 20 0 BEADHO C[NH2+]C1CCN(CCC(C)(C)C2CC2)CC1 ZINC000328427564 487681474 /nfs/dbraw/zinc/68/14/74/487681474.db2.gz MAERJYRNTQOKCC-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000328427564 487681476 /nfs/dbraw/zinc/68/14/76/487681476.db2.gz MAERJYRNTQOKCC-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc2ncccc2c1 ZINC000414786929 487683510 /nfs/dbraw/zinc/68/35/10/487683510.db2.gz BYFXLOGXWSPRSU-AWEZNQCLSA-N 1 3 243.354 2.308 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1ccc2ncccc2c1 ZINC000414786930 487683615 /nfs/dbraw/zinc/68/36/15/487683615.db2.gz BYFXLOGXWSPRSU-CQSZACIVSA-N 1 3 243.354 2.308 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCS1 ZINC000087793240 487687654 /nfs/dbraw/zinc/68/76/54/487687654.db2.gz HHTPGKQKZZHSGK-SDDRHHMPSA-N 1 3 228.405 2.132 20 0 BEADHO C[NH2+]CCN[C@@H]1CCC[C@H]1CCC(C)C ZINC000414838043 487694059 /nfs/dbraw/zinc/69/40/59/487694059.db2.gz YJHRLQGDOZLHCT-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000233339208 487711145 /nfs/dbraw/zinc/71/11/45/487711145.db2.gz IDVMMLVBKMBHLU-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO FC(F)C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000681112197 487730649 /nfs/dbraw/zinc/73/06/49/487730649.db2.gz BTCWWZWMLVIQLK-ADPBJBESSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000681112197 487730653 /nfs/dbraw/zinc/73/06/53/487730653.db2.gz BTCWWZWMLVIQLK-ADPBJBESSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000681112197 487730657 /nfs/dbraw/zinc/73/06/57/487730657.db2.gz BTCWWZWMLVIQLK-ADPBJBESSA-N 1 3 244.329 2.247 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251363588 487754703 /nfs/dbraw/zinc/75/47/03/487754703.db2.gz SQABZFBHKYFATE-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000251363588 487754704 /nfs/dbraw/zinc/75/47/04/487754704.db2.gz SQABZFBHKYFATE-YNEHKIRRSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414961348 487779013 /nfs/dbraw/zinc/77/90/13/487779013.db2.gz YWLCPXKLBXVHKY-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO C[N@H+](CCC(C)(C)C)C[C@H]1CCCNC1 ZINC000234288896 487793275 /nfs/dbraw/zinc/79/32/75/487793275.db2.gz UGKUOSXWTQCFPD-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO C[N@@H+](CCC(C)(C)C)C[C@H]1CCCNC1 ZINC000234288896 487793278 /nfs/dbraw/zinc/79/32/78/487793278.db2.gz UGKUOSXWTQCFPD-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CN(CCC(C)(C)C)C[C@H]1CCC[NH2+]C1 ZINC000234288896 487793282 /nfs/dbraw/zinc/79/32/82/487793282.db2.gz UGKUOSXWTQCFPD-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1N ZINC000251935414 487808440 /nfs/dbraw/zinc/80/84/40/487808440.db2.gz ZRNVHNGETJENMA-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1N ZINC000251935414 487808446 /nfs/dbraw/zinc/80/84/46/487808446.db2.gz ZRNVHNGETJENMA-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1N ZINC000251935413 487808568 /nfs/dbraw/zinc/80/85/68/487808568.db2.gz ZRNVHNGETJENMA-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1N ZINC000251935413 487808573 /nfs/dbraw/zinc/80/85/73/487808573.db2.gz ZRNVHNGETJENMA-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CC[N@H+](CCCN)[C@@H](C)Cc1ccsc1 ZINC000414759526 487822862 /nfs/dbraw/zinc/82/28/62/487822862.db2.gz OQECBDWIVNABMI-NSHDSACASA-N 1 3 226.389 2.350 20 0 BEADHO CC[N@@H+](CCCN)[C@@H](C)Cc1ccsc1 ZINC000414759526 487822867 /nfs/dbraw/zinc/82/28/67/487822867.db2.gz OQECBDWIVNABMI-NSHDSACASA-N 1 3 226.389 2.350 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)cn1 ZINC000414932892 487830509 /nfs/dbraw/zinc/83/05/09/487830509.db2.gz WDMANDTWGROWHG-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO [NH3+]CCCNCCc1ccccc1C(F)(F)F ZINC000415080070 487836681 /nfs/dbraw/zinc/83/66/81/487836681.db2.gz KXGYXIBQDSRBIP-UHFFFAOYSA-N 1 3 246.276 2.186 20 0 BEADHO NCCC[NH2+]CCc1ccccc1C(F)(F)F ZINC000415080070 487836687 /nfs/dbraw/zinc/83/66/87/487836687.db2.gz KXGYXIBQDSRBIP-UHFFFAOYSA-N 1 3 246.276 2.186 20 0 BEADHO CC(C)(N)C[NH2+]Cc1ccc2cnccc2c1 ZINC000666752839 487872138 /nfs/dbraw/zinc/87/21/38/487872138.db2.gz ZGOWMMLNDBHCDL-UHFFFAOYSA-N 1 3 229.327 2.062 20 0 BEADHO CC(C)C[C@@H](C)CNC[C@H]1CCCC[NH2+]1 ZINC000666770542 487877729 /nfs/dbraw/zinc/87/77/29/487877729.db2.gz IKEQDHPSAHMUGU-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]1CCCN(Cc2cccc(O)c2)[C@@H]1CC[NH3+] ZINC000404294061 487917026 /nfs/dbraw/zinc/91/70/26/487917026.db2.gz MROAIQNFCHFBPZ-SWLSCSKDSA-N 1 3 248.370 2.342 20 0 BEADHO C[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000682156081 487917030 /nfs/dbraw/zinc/91/70/30/487917030.db2.gz HXOHQEZCLLSPRD-XBFCOCLRSA-N 1 3 248.345 2.080 20 0 BEADHO C[C@@H](CN[C@@H]1CCCC[NH2+]C1)C(C)(C)C ZINC000666993003 487923404 /nfs/dbraw/zinc/92/34/04/487923404.db2.gz UHBUHGDJSUZWQO-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995312 487924953 /nfs/dbraw/zinc/92/49/53/487924953.db2.gz JZCIDWIAWPSZJL-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H](C)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995620 487925292 /nfs/dbraw/zinc/92/52/92/487925292.db2.gz UJYWVKGVSCKPLI-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CCC[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000560973658 322993811 /nfs/dbraw/zinc/99/38/11/322993811.db2.gz CIMHUOINLYVBNX-WUHRBBMRSA-N 1 3 222.376 2.010 20 0 BEADHO CC(C)NCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000562956252 323035016 /nfs/dbraw/zinc/03/50/16/323035016.db2.gz LZRAHENSOVEINJ-LBPRGKRZSA-N 1 3 244.448 2.496 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000569710116 323038065 /nfs/dbraw/zinc/03/80/65/323038065.db2.gz NCNVSZFXZIJSBN-ZDUSSCGKSA-N 1 3 220.360 2.171 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000397252914 323043128 /nfs/dbraw/zinc/04/31/28/323043128.db2.gz DHOZJYSHRXSKHC-MROQNXINSA-N 1 3 242.432 2.045 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000397252914 323043129 /nfs/dbraw/zinc/04/31/29/323043129.db2.gz DHOZJYSHRXSKHC-MROQNXINSA-N 1 3 242.432 2.045 20 0 BEADHO Cc1ccc(OCCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000570463199 323060217 /nfs/dbraw/zinc/06/02/17/323060217.db2.gz UTDJUFIUTGYASH-UONOGXRCSA-N 1 3 248.370 2.233 20 0 BEADHO CCc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000570594124 323064289 /nfs/dbraw/zinc/06/42/89/323064289.db2.gz UZKOOSLPEQYRPG-HNNXBMFYSA-N 1 3 245.370 2.319 20 0 BEADHO COC[C@H]([NH2+][C@H]1C[C@H](N)c2ccccc21)C1CC1 ZINC000397299471 323087396 /nfs/dbraw/zinc/08/73/96/323087396.db2.gz CTTVNRIDWFBGHJ-KKUMJFAQSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000415009642 323152537 /nfs/dbraw/zinc/15/25/37/323152537.db2.gz GDPDHYFFKWDLCO-RFHZTLPTSA-N 1 3 218.344 2.115 20 0 BEADHO COc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216060212 323195184 /nfs/dbraw/zinc/19/51/84/323195184.db2.gz HVAODTRYECNVOX-GXTWGEPZSA-N 1 3 248.370 2.173 20 0 BEADHO CC(C)C[C@H](N)C[N@H+](C)C1CC(C)(C)C1 ZINC000395463568 323227478 /nfs/dbraw/zinc/22/74/78/323227478.db2.gz PYDWFMCRJYLYMY-NSHDSACASA-N 1 3 212.381 2.480 20 0 BEADHO CCC[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])OCC ZINC000530212958 323216508 /nfs/dbraw/zinc/21/65/08/323216508.db2.gz SHMQOPDYGWYGKS-HZSPNIEDSA-N 1 3 242.407 2.441 20 0 BEADHO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530214132 323216893 /nfs/dbraw/zinc/21/68/93/323216893.db2.gz BDLUIHJXGPSYNB-STQMWFEESA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCC1 ZINC000530214132 323216895 /nfs/dbraw/zinc/21/68/95/323216895.db2.gz BDLUIHJXGPSYNB-STQMWFEESA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395463568 323227481 /nfs/dbraw/zinc/22/74/81/323227481.db2.gz PYDWFMCRJYLYMY-NSHDSACASA-N 1 3 212.381 2.480 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000530225304 323219018 /nfs/dbraw/zinc/21/90/18/323219018.db2.gz VNGCNHGMVONRSI-PWSUYJOCSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225304 323219021 /nfs/dbraw/zinc/21/90/21/323219021.db2.gz VNGCNHGMVONRSI-PWSUYJOCSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CC(C)(C)C1 ZINC000530225304 323219023 /nfs/dbraw/zinc/21/90/23/323219023.db2.gz VNGCNHGMVONRSI-PWSUYJOCSA-N 1 3 210.365 2.234 20 0 BEADHO CC1(C)CCC[C@@H](CN2CC[C@@H]([NH3+])C2)C1 ZINC000309399075 323372812 /nfs/dbraw/zinc/37/28/12/323372812.db2.gz HDNIWVNUKKYEIR-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCCC2)C[C@H]1CN ZINC000397331363 324212365 /nfs/dbraw/zinc/21/23/65/324212365.db2.gz RBIVBSCRVIAOEI-MBNYWOFBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCCC2)C[C@H]1CN ZINC000397331363 324212370 /nfs/dbraw/zinc/21/23/70/324212370.db2.gz RBIVBSCRVIAOEI-MBNYWOFBSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000304365272 325146249 /nfs/dbraw/zinc/14/62/49/325146249.db2.gz FFYHAEMWNOEDRZ-UPJWGTAASA-N 1 3 242.432 2.058 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000566481333 326055589 /nfs/dbraw/zinc/05/55/89/326055589.db2.gz HFOXFYKQQASXJW-HLTSFMKQSA-N 1 3 224.270 2.044 20 0 BEADHO CCc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000567041238 326104957 /nfs/dbraw/zinc/10/49/57/326104957.db2.gz FZVOZVSGGIIDSC-VXGBXAGGSA-N 1 3 220.360 2.464 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1 ZINC000567249495 326150533 /nfs/dbraw/zinc/15/05/33/326150533.db2.gz ICYIUSVSDIRJMI-HZSPNIEDSA-N 1 3 248.370 2.313 20 0 BEADHO CN1CCC([C@H]2CC[N@H+](CC3(C)CC3)C2)CC1 ZINC000567399472 326183294 /nfs/dbraw/zinc/18/32/94/326183294.db2.gz DZRPBKBGEPWJFB-AWEZNQCLSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC([C@H]2CC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000567399472 326183297 /nfs/dbraw/zinc/18/32/97/326183297.db2.gz DZRPBKBGEPWJFB-AWEZNQCLSA-N 1 3 236.403 2.450 20 0 BEADHO Cc1cnc(CNC2CCC(C[NH3+])CC2)s1 ZINC000567490012 326203891 /nfs/dbraw/zinc/20/38/91/326203891.db2.gz ATTXHQAWMCKZPF-UHFFFAOYSA-N 1 3 239.388 2.059 20 0 BEADHO CC[C@H](COC)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000157358124 326270491 /nfs/dbraw/zinc/27/04/91/326270491.db2.gz BJYBONJCNPBWMI-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](COC)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000157358124 326270493 /nfs/dbraw/zinc/27/04/93/326270493.db2.gz BJYBONJCNPBWMI-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO c1cc2cc(CNCCC[NH+]3CCC3)ccc2[nH]1 ZINC000568236325 326331910 /nfs/dbraw/zinc/33/19/10/326331910.db2.gz HYTPFDSYGMRCRB-UHFFFAOYSA-N 1 3 243.354 2.353 20 0 BEADHO C[NH+](C)CCCCNCc1ccncc1Cl ZINC000084084942 487997688 /nfs/dbraw/zinc/99/76/88/487997688.db2.gz QOECWOBSRQAOOR-UHFFFAOYSA-N 1 3 241.766 2.166 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000251975510 488066545 /nfs/dbraw/zinc/06/65/45/488066545.db2.gz YJQHBJYHXIZKCU-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000083680581 488071317 /nfs/dbraw/zinc/07/13/17/488071317.db2.gz JLAKXLNUTQUAGH-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000083680581 488071322 /nfs/dbraw/zinc/07/13/22/488071322.db2.gz JLAKXLNUTQUAGH-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CCN(CC)CCC[NH2+]C1(CO)CCCCC1 ZINC000683141407 488117482 /nfs/dbraw/zinc/11/74/82/488117482.db2.gz HTLLSATWJMKBHZ-UHFFFAOYSA-N 1 3 242.407 2.003 20 0 BEADHO CC[NH+](CC)CCCNC1(CO)CCCCC1 ZINC000683141407 488117484 /nfs/dbraw/zinc/11/74/84/488117484.db2.gz HTLLSATWJMKBHZ-UHFFFAOYSA-N 1 3 242.407 2.003 20 0 BEADHO C[C@@H](CN)C[NH2+]CC(C)(C)c1ccccc1 ZINC000258814112 488137371 /nfs/dbraw/zinc/13/73/71/488137371.db2.gz SSCVDOICFXUIQN-LBPRGKRZSA-N 1 3 220.360 2.149 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000405986321 487494411 /nfs/dbraw/zinc/49/44/11/487494411.db2.gz CFSYSZQOHFTZDA-RYUDHWBXSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986321 487494412 /nfs/dbraw/zinc/49/44/12/487494412.db2.gz CFSYSZQOHFTZDA-RYUDHWBXSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H](CC(F)F)CN(C)C1CC([NH3+])C1 ZINC000662274263 487523286 /nfs/dbraw/zinc/52/32/86/487523286.db2.gz SJSIHNYCMFDKSY-IDKOKCKLSA-N 1 3 220.307 2.089 20 0 BEADHO CCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000249907249 487725974 /nfs/dbraw/zinc/72/59/74/487725974.db2.gz YXOKMQJJFIBUQN-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO Fc1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950681 487890839 /nfs/dbraw/zinc/89/08/39/487890839.db2.gz ANYQJOPTMOHXCC-CYBMUJFWSA-N 1 3 234.318 2.057 20 0 BEADHO CCc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258874265 488140051 /nfs/dbraw/zinc/14/00/51/488140051.db2.gz GFPZIMBAGJFCLF-GJZGRUSLSA-N 1 3 232.371 2.261 20 0 BEADHO C[C@@H](CCC1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000398109429 488211120 /nfs/dbraw/zinc/21/11/20/488211120.db2.gz WTLQOFJIVZDXAG-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CCC2CCC2)C[C@H]1CN ZINC000398899101 488225437 /nfs/dbraw/zinc/22/54/37/488225437.db2.gz HDQKYRDYWUNLJW-MBNYWOFBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC2CCC2)C[C@H]1CN ZINC000398899101 488225440 /nfs/dbraw/zinc/22/54/40/488225440.db2.gz HDQKYRDYWUNLJW-MBNYWOFBSA-N 1 3 224.392 2.482 20 0 BEADHO Cc1ccc(C[NH2+]CC2(N)CCCC2)s1 ZINC000050226773 488366472 /nfs/dbraw/zinc/36/64/72/488366472.db2.gz VPTTZUYRDFRHCV-UHFFFAOYSA-N 1 3 224.373 2.418 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccccc1C1CC1 ZINC000666825924 490097213 /nfs/dbraw/zinc/09/72/13/490097213.db2.gz ABSOAWAKAJSQIH-NSHDSACASA-N 1 3 218.344 2.248 20 0 BEADHO Cc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459723581 490132932 /nfs/dbraw/zinc/13/29/32/490132932.db2.gz AERBXNWYGILKDD-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459723581 490132940 /nfs/dbraw/zinc/13/29/40/490132940.db2.gz AERBXNWYGILKDD-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000070327816 490209477 /nfs/dbraw/zinc/20/94/77/490209477.db2.gz DDENLOHGDHQXED-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000070464673 490215818 /nfs/dbraw/zinc/21/58/18/490215818.db2.gz WGWPTBIWSDSRQM-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000128606533 490583006 /nfs/dbraw/zinc/58/30/06/490583006.db2.gz QOJIGNUDMVFBJB-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000414862855 491111420 /nfs/dbraw/zinc/11/14/20/491111420.db2.gz BCFVMNUQTCHANT-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ncc[nH]2)CCO1 ZINC000139022948 491130141 /nfs/dbraw/zinc/13/01/41/491130141.db2.gz IASHZOBSDZCWKQ-TUAOUCFPSA-N 1 3 237.347 2.264 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000400482278 533908152 /nfs/dbraw/zinc/90/81/52/533908152.db2.gz CIDSBBVCWATRED-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@]1(C)CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892144228 582800574 /nfs/dbraw/zinc/80/05/74/582800574.db2.gz MNSJGBQPFKDHBP-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@@]1(C)CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892144228 582800575 /nfs/dbraw/zinc/80/05/75/582800575.db2.gz MNSJGBQPFKDHBP-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCCOC)C1 ZINC000178511359 534958979 /nfs/dbraw/zinc/95/89/79/534958979.db2.gz UDVZLZPBVDDEOP-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)N(C)CCC[NH2+]C[C@H]1CCSC1 ZINC000226373791 535003319 /nfs/dbraw/zinc/00/33/19/535003319.db2.gz MRUJVNFTMJHXSL-GFCCVEGCSA-N 1 3 230.421 2.059 20 0 BEADHO CC(C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169231553 535171008 /nfs/dbraw/zinc/17/10/08/535171008.db2.gz ACTKCCVGUYWYCS-STQMWFEESA-N 1 3 204.317 2.377 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@H]([C@@H](C)N)C1 ZINC000261550456 535350864 /nfs/dbraw/zinc/35/08/64/535350864.db2.gz PLYFTMNKMOBEGE-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@H]([C@@H](C)N)C1 ZINC000261550456 535350865 /nfs/dbraw/zinc/35/08/65/535350865.db2.gz PLYFTMNKMOBEGE-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H](C)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000295899640 535565911 /nfs/dbraw/zinc/56/59/11/535565911.db2.gz FALUZLOKXJIBGO-CYBMUJFWSA-N 1 3 233.359 2.311 20 0 BEADHO CC[C@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000226744870 536076863 /nfs/dbraw/zinc/07/68/63/536076863.db2.gz RTPJOXBCXXWEAZ-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCc1ccc(CCN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261704995 536170821 /nfs/dbraw/zinc/17/08/21/536170821.db2.gz LXCLGEKIBCTOHP-INIZCTEOSA-N 1 3 246.398 2.462 20 0 BEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCCSCC1 ZINC000335934797 536354330 /nfs/dbraw/zinc/35/43/30/536354330.db2.gz NEQWBPHGMLWJBK-CYBMUJFWSA-N 1 3 242.432 2.300 20 0 BEADHO C[N@H+]1CCCC[C@@H]1CCN1CCCSCC1 ZINC000335934797 536354333 /nfs/dbraw/zinc/35/43/33/536354333.db2.gz NEQWBPHGMLWJBK-CYBMUJFWSA-N 1 3 242.432 2.300 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CC1 ZINC000262002033 536645804 /nfs/dbraw/zinc/64/58/04/536645804.db2.gz PXVLFXJALXIERM-RBSFLKMASA-N 1 3 246.354 2.146 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261593403 536901522 /nfs/dbraw/zinc/90/15/22/536901522.db2.gz WUAHUPUVSXPRJM-DCAQKATOSA-N 1 3 222.332 2.082 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)CN1CCCC1 ZINC000348106937 566264538 /nfs/dbraw/zinc/26/45/38/566264538.db2.gz PQFUWEFDFVFNCE-SNPRPXQTSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857253849 583136402 /nfs/dbraw/zinc/13/64/02/583136402.db2.gz TYHFFQVUQRVXFD-CIUDSAMLSA-N 1 3 239.190 2.286 20 0 BEADHO C[C@@H]1CCSCC[N@@H+]1CC1CCN(C)CC1 ZINC000894000698 583271510 /nfs/dbraw/zinc/27/15/10/583271510.db2.gz RYOGEZXFEPLNLS-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H]1CCSCC[N@H+]1CC1CCN(C)CC1 ZINC000894000698 583271513 /nfs/dbraw/zinc/27/15/13/583271513.db2.gz RYOGEZXFEPLNLS-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H]1CC[N@H+](CC2CCN(C)CC2)CCS1 ZINC000894029883 583281433 /nfs/dbraw/zinc/28/14/33/583281433.db2.gz OATGVWYQRWQMDX-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CCN(C)CC2)CCS1 ZINC000894029883 583281436 /nfs/dbraw/zinc/28/14/36/583281436.db2.gz OATGVWYQRWQMDX-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO CC[C@@H]1C[C@@H](C[NH2+]CC[C@@H](N)C(C)C)CCO1 ZINC000853247177 588728928 /nfs/dbraw/zinc/72/89/28/588728928.db2.gz FUHIXARPIOEQHE-BFHYXJOUSA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@H]1C[C@@H](C[NH2+]CC[C@@H](N)C(C)C)CCO1 ZINC000853247179 588729149 /nfs/dbraw/zinc/72/91/49/588729149.db2.gz FUHIXARPIOEQHE-MELADBBJSA-N 1 3 242.407 2.155 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853248937 588729168 /nfs/dbraw/zinc/72/91/68/588729168.db2.gz LZUKKXGFSOBOBP-AEJSXWLSSA-N 1 3 238.297 2.305 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1C=CCC1 ZINC000854221339 588780123 /nfs/dbraw/zinc/78/01/23/588780123.db2.gz KNLNOIUUESTZIF-ZYHUDNBSSA-N 1 3 231.343 2.218 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CCN(C)CC2)[C@@H]1C ZINC000891860925 582730452 /nfs/dbraw/zinc/73/04/52/582730452.db2.gz DUIDBGMWSPUHQF-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)[C@@H]1C ZINC000891860925 582730453 /nfs/dbraw/zinc/73/04/53/582730453.db2.gz DUIDBGMWSPUHQF-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000892105237 582792866 /nfs/dbraw/zinc/79/28/66/582792866.db2.gz XSWFJTQSIBHGRP-NWDGAFQWSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000892105237 582792867 /nfs/dbraw/zinc/79/28/67/582792867.db2.gz XSWFJTQSIBHGRP-NWDGAFQWSA-N 1 3 210.365 2.059 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000892144398 582799304 /nfs/dbraw/zinc/79/93/04/582799304.db2.gz NWAXUGBZOFYLOU-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000892144398 582799307 /nfs/dbraw/zinc/79/93/07/582799307.db2.gz NWAXUGBZOFYLOU-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1CSCC[N@H+](CC2CCN(C)CC2)C1 ZINC000894009021 583270253 /nfs/dbraw/zinc/27/02/53/583270253.db2.gz JSIULDSUBAHDJG-LBPRGKRZSA-N 1 3 242.432 2.013 20 0 BEADHO C[C@@H]1CSCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894009021 583270255 /nfs/dbraw/zinc/27/02/55/583270255.db2.gz JSIULDSUBAHDJG-LBPRGKRZSA-N 1 3 242.432 2.013 20 0 BEADHO Cc1coc(CN(C)CC2CC[NH+](C)CC2)c1 ZINC000894002247 583272431 /nfs/dbraw/zinc/27/24/31/583272431.db2.gz OHVHBWQSDIYYKI-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](CF)C1 ZINC000880237081 583505573 /nfs/dbraw/zinc/50/55/73/583505573.db2.gz PQJFWUHTRMIKBL-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](CF)C1 ZINC000880237081 583505575 /nfs/dbraw/zinc/50/55/75/583505575.db2.gz PQJFWUHTRMIKBL-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC(C[N@@H+]2CCC23CCCC3)CC1 ZINC000895137032 583602442 /nfs/dbraw/zinc/60/24/42/583602442.db2.gz GHHICDNVBZAETC-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO CN1CCC(C[N@H+]2CCC23CCCC3)CC1 ZINC000895137032 583602443 /nfs/dbraw/zinc/60/24/43/583602443.db2.gz GHHICDNVBZAETC-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000895188231 583619620 /nfs/dbraw/zinc/61/96/20/583619620.db2.gz IHUAPEAEZALKCP-GFCCVEGCSA-N 1 3 244.329 2.059 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000895188231 583619622 /nfs/dbraw/zinc/61/96/22/583619622.db2.gz IHUAPEAEZALKCP-GFCCVEGCSA-N 1 3 244.329 2.059 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)CCc1cccnc1)N(C)C ZINC000895290526 583637695 /nfs/dbraw/zinc/63/76/95/583637695.db2.gz KMTQSOQZYGDHKH-UONOGXRCSA-N 1 3 249.402 2.333 20 0 BEADHO C[C@@H](CC[NH2+]C[C@H]1CC1(Cl)Cl)N(C)C ZINC000895292086 583637814 /nfs/dbraw/zinc/63/78/14/583637814.db2.gz MBNKWFPSUMWJKJ-DTWKUNHWSA-N 1 3 239.190 2.110 20 0 BEADHO C[C@H](CCc1cccnc1)[NH2+]CC[C@@H](C)N(C)C ZINC000895290527 583637818 /nfs/dbraw/zinc/63/78/18/583637818.db2.gz KMTQSOQZYGDHKH-ZIAGYGMSSA-N 1 3 249.402 2.333 20 0 BEADHO C[C@@H](CC[NH2+]CC1Cc2ccccc2C1)N(C)C ZINC000895293964 583637841 /nfs/dbraw/zinc/63/78/41/583637841.db2.gz LYWPTYKPWAVACF-ZDUSSCGKSA-N 1 3 246.398 2.331 20 0 BEADHO C[C@H](CC[NH2+]C[C@@H]1CC1(Cl)Cl)N(C)C ZINC000895292085 583637916 /nfs/dbraw/zinc/63/79/16/583637916.db2.gz MBNKWFPSUMWJKJ-BDAKNGLRSA-N 1 3 239.190 2.110 20 0 BEADHO CC1=CC[C@H]([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000895294352 583638355 /nfs/dbraw/zinc/63/83/55/583638355.db2.gz UJYMSPDZZVTDMJ-STQMWFEESA-N 1 3 210.365 2.415 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+]CC[C@H](C)N(C)C ZINC000895295055 583639196 /nfs/dbraw/zinc/63/91/96/583639196.db2.gz ZTSJIXVTSDUAKX-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO COC[C@@H](CC(C)(C)C)NCC[C@@H](C)[NH+](C)C ZINC000895292591 583639260 /nfs/dbraw/zinc/63/92/60/583639260.db2.gz RAUGZAPBGNUZEZ-CHWSQXEVSA-N 1 3 244.423 2.367 20 0 BEADHO CCCC[C@@H](COC)NCC[C@@H](C)[NH+](C)C ZINC000895293033 583639272 /nfs/dbraw/zinc/63/92/72/583639272.db2.gz FUDRPXMKKULNSM-OLZOCXBDSA-N 1 3 230.396 2.121 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)N(C)C)CS1 ZINC000895293728 583639752 /nfs/dbraw/zinc/63/97/52/583639752.db2.gz KPPKZNQVOXOVQW-AVGNSLFASA-N 1 3 244.448 2.446 20 0 BEADHO CC(C)[C@@H]1C[C@H](NCC[C@H](C)[NH+](C)C)CS1 ZINC000895293728 583639754 /nfs/dbraw/zinc/63/97/54/583639754.db2.gz KPPKZNQVOXOVQW-AVGNSLFASA-N 1 3 244.448 2.446 20 0 BEADHO CC[C@@H]1C[C@H](C[NH2+]CC[C@H](C)N(C)C)CCO1 ZINC000895296934 583641367 /nfs/dbraw/zinc/64/13/67/583641367.db2.gz RDXPYHAUHHXTMB-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CCCSC[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895429950 583668943 /nfs/dbraw/zinc/66/89/43/583668943.db2.gz ZRLLWVJPOORITN-NEPJUHHUSA-N 1 3 232.437 2.448 20 0 BEADHO CCCSC[C@@H](C)NCC[C@H](C)[NH+](C)C ZINC000895429950 583668944 /nfs/dbraw/zinc/66/89/44/583668944.db2.gz ZRLLWVJPOORITN-NEPJUHHUSA-N 1 3 232.437 2.448 20 0 BEADHO CC1(C)CC[C@@H](CN[C@@H]2CCCC[C@H]2[NH3+])OC1 ZINC000866667424 584121569 /nfs/dbraw/zinc/12/15/69/584121569.db2.gz LZTZTJBNURNBGM-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO CCc1ccc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)o1 ZINC000873254770 584128001 /nfs/dbraw/zinc/12/80/01/584128001.db2.gz ADLCRZGNMRKGGS-GMTAPVOTSA-N 1 3 222.332 2.230 20 0 BEADHO CC1(C)CO[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000873281692 584128484 /nfs/dbraw/zinc/12/84/84/584128484.db2.gz OWFGOQFWLKTRLY-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO CC1(C)CO[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000873281691 584128815 /nfs/dbraw/zinc/12/88/15/584128815.db2.gz OWFGOQFWLKTRLY-AVGNSLFASA-N 1 3 240.391 2.051 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000858490871 588960111 /nfs/dbraw/zinc/96/01/11/588960111.db2.gz RILDURTXFMOXBB-SNPRPXQTSA-N 1 3 236.403 2.497 20 0 BEADHO CSCC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902328457 584561349 /nfs/dbraw/zinc/56/13/49/584561349.db2.gz KVONVHZXRKCSDP-VXGBXAGGSA-N 1 3 244.448 2.496 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCC=CO2)C1 ZINC000902375997 584567817 /nfs/dbraw/zinc/56/78/17/584567817.db2.gz GNCWGDSTFGSEAY-CHWSQXEVSA-N 1 3 238.375 2.047 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000902385360 584578136 /nfs/dbraw/zinc/57/81/36/584578136.db2.gz ZZBHYIWDFTVBPD-LLVKDONJSA-N 1 3 242.432 2.250 20 0 BEADHO CSC1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902385360 584578138 /nfs/dbraw/zinc/57/81/38/584578138.db2.gz ZZBHYIWDFTVBPD-LLVKDONJSA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)SCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385443 584578402 /nfs/dbraw/zinc/57/84/02/584578402.db2.gz VDDOPBPJOQEUSV-GFCCVEGCSA-N 1 3 244.448 2.496 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902385443 584578404 /nfs/dbraw/zinc/57/84/04/584578404.db2.gz VDDOPBPJOQEUSV-GFCCVEGCSA-N 1 3 244.448 2.496 20 0 BEADHO CC(C)SCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385444 584578557 /nfs/dbraw/zinc/57/85/57/584578557.db2.gz VDDOPBPJOQEUSV-LBPRGKRZSA-N 1 3 244.448 2.496 20 0 BEADHO CC(C)SCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902385444 584578558 /nfs/dbraw/zinc/57/85/58/584578558.db2.gz VDDOPBPJOQEUSV-LBPRGKRZSA-N 1 3 244.448 2.496 20 0 BEADHO CC(F)(F)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389758 584580965 /nfs/dbraw/zinc/58/09/65/584580965.db2.gz XNDNXAJRJAYVDN-JTQLQIEISA-N 1 3 234.334 2.400 20 0 BEADHO COCC[C@@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902390094 584581304 /nfs/dbraw/zinc/58/13/04/584581304.db2.gz GXNLBQGBWJVFQW-OLZOCXBDSA-N 1 3 242.407 2.027 20 0 BEADHO COCC[C@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902390096 584581475 /nfs/dbraw/zinc/58/14/75/584581475.db2.gz GXNLBQGBWJVFQW-STQMWFEESA-N 1 3 242.407 2.027 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000902391877 584583025 /nfs/dbraw/zinc/58/30/25/584583025.db2.gz CAAJFAQOSPNUEG-RNJOBUHISA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000902397831 584585390 /nfs/dbraw/zinc/58/53/90/584585390.db2.gz IEUKXEGQQHMHGJ-WDEREUQCSA-N 1 3 246.345 2.400 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000902396922 584585455 /nfs/dbraw/zinc/58/54/55/584585455.db2.gz IEUKXEGQQHMHGJ-MNOVXSKESA-N 1 3 246.345 2.400 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2C=CCC2)C1 ZINC000902404609 584589144 /nfs/dbraw/zinc/58/91/44/584589144.db2.gz XJIOEFFVEWRTKA-OLZOCXBDSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000902432232 584595408 /nfs/dbraw/zinc/59/54/08/584595408.db2.gz ORGBKWRYIMIRCR-VXGBXAGGSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902434681 584596204 /nfs/dbraw/zinc/59/62/04/584596204.db2.gz ZCFDTQAONJZBHU-WCQYABFASA-N 1 3 224.392 2.400 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000902440880 584597937 /nfs/dbraw/zinc/59/79/37/584597937.db2.gz AVIDBGKFUXVHMM-LBPRGKRZSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902443931 584598180 /nfs/dbraw/zinc/59/81/80/584598180.db2.gz MOMUUDFVONAMHK-WDEREUQCSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNCC1(C)C)C1CCSCC1 ZINC000902443179 584598249 /nfs/dbraw/zinc/59/82/49/584598249.db2.gz KJHZLFMXRUKFJZ-ZYHUDNBSSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H](Cc1ccc(Cl)cc1)NCC1([NH3+])CC1 ZINC000902414261 584599398 /nfs/dbraw/zinc/59/93/98/584599398.db2.gz UWBHTUXMAKSBGJ-JTQLQIEISA-N 1 3 238.762 2.352 20 0 BEADHO CC(C)[C@H](NCC1([NH3+])CC1)c1ccccc1 ZINC000902413512 584599793 /nfs/dbraw/zinc/59/97/93/584599793.db2.gz NFFLBDHHXHCLKX-ZDUSSCGKSA-N 1 3 218.344 2.465 20 0 BEADHO CCCCO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000902414727 584600571 /nfs/dbraw/zinc/60/05/71/584600571.db2.gz ZVJOLKHVUSRMCT-VXGBXAGGSA-N 1 3 240.391 2.051 20 0 BEADHO C1CC1[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473832 584601988 /nfs/dbraw/zinc/60/19/88/584601988.db2.gz AERUVHRGIZAXCH-QKGCVVFFSA-N 1 3 234.387 2.438 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000902447567 584605026 /nfs/dbraw/zinc/60/50/26/584605026.db2.gz ZQWBILILAGTDCJ-VXGBXAGGSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902448119 584605130 /nfs/dbraw/zinc/60/51/30/584605130.db2.gz CJTNEHCTMGCTTM-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902448692 584605635 /nfs/dbraw/zinc/60/56/35/584605635.db2.gz HAOQPMKTGGHQID-YNEHKIRRSA-N 1 3 224.392 2.399 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902453951 584608821 /nfs/dbraw/zinc/60/88/21/584608821.db2.gz GHVFPSULEBPTOU-GSWZFVNLSA-N 1 3 220.360 2.048 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC000902455431 584609128 /nfs/dbraw/zinc/60/91/28/584609128.db2.gz LZZUHZBATFXQKN-FPYNETTCSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@H]21)[C@H]1CCCC[NH2+]1 ZINC000902454865 584609515 /nfs/dbraw/zinc/60/95/15/584609515.db2.gz JATAGWDYHNROGZ-RYMFRWLXSA-N 1 3 222.376 2.295 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)O1 ZINC000902460246 584610828 /nfs/dbraw/zinc/61/08/28/584610828.db2.gz FUSBBYNDOWPVAC-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902459122 584610893 /nfs/dbraw/zinc/61/08/93/584610893.db2.gz XGRDUTMVBIHHPB-XHJNMGKDSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902458637 584611156 /nfs/dbraw/zinc/61/11/56/584611156.db2.gz WWWFSEWJTOXJDG-XGFWRYKXSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC(C)(C)O1 ZINC000902460618 584611692 /nfs/dbraw/zinc/61/16/92/584611692.db2.gz HPNKGIDBBAMUSG-TUAOUCFPSA-N 1 3 228.380 2.050 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902465242 584613405 /nfs/dbraw/zinc/61/34/05/584613405.db2.gz DDDNIQGDZHASSN-ARLBYUKCSA-N 1 3 244.382 2.409 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470735 584616230 /nfs/dbraw/zinc/61/62/30/584616230.db2.gz GFSBCSXKHDJQJH-UJPOAAIJSA-N 1 3 222.376 2.294 20 0 BEADHO COC1CCC(NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000902484611 584624669 /nfs/dbraw/zinc/62/46/69/584624669.db2.gz WVQPYYWVWYJMQX-MOKVOYLWSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H]1CCC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902485317 584624745 /nfs/dbraw/zinc/62/47/45/584624745.db2.gz ZPMAELGMXOIGLJ-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902485618 584625215 /nfs/dbraw/zinc/62/52/15/584625215.db2.gz BSJZTOXWYCOSFH-UMVBOHGHSA-N 1 3 247.386 2.496 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(F)ccc1F ZINC000902489441 584627273 /nfs/dbraw/zinc/62/72/73/584627273.db2.gz QYVZZNOMHPOVKB-FXPVBKGRSA-N 1 3 240.297 2.353 20 0 BEADHO COc1cc(C)ccc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489379 584627513 /nfs/dbraw/zinc/62/75/13/584627513.db2.gz PVWGLGBBLQYNQT-AVGNSLFASA-N 1 3 248.370 2.392 20 0 BEADHO COc1ccc(C)cc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489504 584627723 /nfs/dbraw/zinc/62/77/23/584627723.db2.gz SDTGCGWLXYMMFM-AVGNSLFASA-N 1 3 248.370 2.392 20 0 BEADHO C[C@@H]([NH2+]C1(C2CCCCC2)CC1)C1CNC1 ZINC000902517370 584630095 /nfs/dbraw/zinc/63/00/95/584630095.db2.gz KXJPYNWMIPPEEP-LLVKDONJSA-N 1 3 222.376 2.297 20 0 BEADHO C1=CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903113883 584729463 /nfs/dbraw/zinc/72/94/63/584729463.db2.gz YCUWXPBWCUHWEZ-LQDVMPOASA-N 1 3 232.371 2.452 20 0 BEADHO C1=CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903113883 584729464 /nfs/dbraw/zinc/72/94/64/584729464.db2.gz YCUWXPBWCUHWEZ-LQDVMPOASA-N 1 3 232.371 2.452 20 0 BEADHO C1=CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C2CC2)C1 ZINC000903113883 584729466 /nfs/dbraw/zinc/72/94/66/584729466.db2.gz YCUWXPBWCUHWEZ-LQDVMPOASA-N 1 3 232.371 2.452 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903252500 584739201 /nfs/dbraw/zinc/73/92/01/584739201.db2.gz DITRWFOBDWPRHK-ZAQNNHEOSA-N 1 3 234.387 2.247 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903252500 584739203 /nfs/dbraw/zinc/73/92/03/584739203.db2.gz DITRWFOBDWPRHK-ZAQNNHEOSA-N 1 3 234.387 2.247 20 0 BEADHO NC[C@H]1CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903425186 584760833 /nfs/dbraw/zinc/76/08/33/584760833.db2.gz WBIMSDMPFKAOOD-CYBMUJFWSA-N 1 3 229.327 2.091 20 0 BEADHO NC[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000903425186 584760834 /nfs/dbraw/zinc/76/08/34/584760834.db2.gz WBIMSDMPFKAOOD-CYBMUJFWSA-N 1 3 229.327 2.091 20 0 BEADHO C[C@@H]1CC[C@@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000903459766 584765733 /nfs/dbraw/zinc/76/57/33/584765733.db2.gz ZHEQYJQCLGTVCK-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2)[C@@H](C)C1 ZINC000903459766 584765735 /nfs/dbraw/zinc/76/57/35/584765735.db2.gz ZHEQYJQCLGTVCK-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903447138 584770422 /nfs/dbraw/zinc/77/04/22/584770422.db2.gz GOFGYSHYKISOQK-RISCZKNCSA-N 1 3 243.354 2.337 20 0 BEADHO CC(F)(F)CCC[NH2+][C@H]1CCNC12CCC2 ZINC000903471605 584775202 /nfs/dbraw/zinc/77/52/02/584775202.db2.gz KNHCYUZYSUOFRD-JTQLQIEISA-N 1 3 232.318 2.296 20 0 BEADHO C[C@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903477315 584777821 /nfs/dbraw/zinc/77/78/21/584777821.db2.gz YDZFFDLCOUXABU-SMDDNHRTSA-N 1 3 243.354 2.195 20 0 BEADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1C[NH3+] ZINC000903477312 584778122 /nfs/dbraw/zinc/77/81/22/584778122.db2.gz YDZFFDLCOUXABU-BXUZGUMPSA-N 1 3 243.354 2.195 20 0 BEADHO CC1CC(C[N@@H+]2CCCC[C@@H]2CCN)C1 ZINC000903749395 584795015 /nfs/dbraw/zinc/79/50/15/584795015.db2.gz KKSXQKRTFKOEPS-WXRRBKDZSA-N 1 3 210.365 2.236 20 0 BEADHO CC1CC(C[N@H+]2CCCC[C@@H]2CCN)C1 ZINC000903749395 584795017 /nfs/dbraw/zinc/79/50/17/584795017.db2.gz KKSXQKRTFKOEPS-WXRRBKDZSA-N 1 3 210.365 2.236 20 0 BEADHO CC1CC(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000903740888 584795985 /nfs/dbraw/zinc/79/59/85/584795985.db2.gz LTJDSCSDCWYTFY-PFSRBDOWSA-N 1 3 236.403 2.497 20 0 BEADHO FC1(F)C[C@@]12CCN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903768793 584797781 /nfs/dbraw/zinc/79/77/81/584797781.db2.gz QVVYUOSUXMZFHI-VXGBXAGGSA-N 1 3 244.329 2.107 20 0 BEADHO C[C@@H]1CN(Cc2ccccc2CF)C[C@H]1C[NH3+] ZINC000903775006 584799039 /nfs/dbraw/zinc/79/90/39/584799039.db2.gz FCOHJNUKTAHHSA-BXUZGUMPSA-N 1 3 236.334 2.183 20 0 BEADHO CC1(F)CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903778173 584799528 /nfs/dbraw/zinc/79/95/28/584799528.db2.gz JZWOMSIKWIEFDF-GFCCVEGCSA-N 1 3 228.355 2.200 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CNCC1(C)C)C(C)(C)C ZINC000903821640 584804080 /nfs/dbraw/zinc/80/40/80/584804080.db2.gz OLUXVRVWVAWKLL-GHMZBOCLSA-N 1 3 212.381 2.256 20 0 BEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1CF)C2 ZINC000903840968 584807250 /nfs/dbraw/zinc/80/72/50/584807250.db2.gz VLZTWAXMFRAQPU-CQDKDKBSSA-N 1 3 248.345 2.468 20 0 BEADHO CC(C)=CCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856533 584809389 /nfs/dbraw/zinc/80/93/89/584809389.db2.gz ABFUZHQDEOEACN-OLZOCXBDSA-N 1 3 208.349 2.156 20 0 BEADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCc1ccccc1 ZINC000903859042 584810565 /nfs/dbraw/zinc/81/05/65/584810565.db2.gz ZAUBUBLPLPLYJI-HUUCEWRRSA-N 1 3 230.355 2.042 20 0 BEADHO CC1(CN2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903960032 584827474 /nfs/dbraw/zinc/82/74/74/584827474.db2.gz VKOFIAMPJUBKKO-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO CC(C)([NH3+])CCNCc1ccc2ncccc2c1 ZINC000903941321 584828907 /nfs/dbraw/zinc/82/89/07/584828907.db2.gz ZFNMENQOYCOVEF-UHFFFAOYSA-N 1 3 243.354 2.452 20 0 BEADHO COc1cc(CNCCC(C)(C)[NH3+])ccc1C ZINC000903940033 584829261 /nfs/dbraw/zinc/82/92/61/584829261.db2.gz TXWWJJUDLQJBRX-UHFFFAOYSA-N 1 3 236.359 2.221 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000903963590 584833564 /nfs/dbraw/zinc/83/35/64/584833564.db2.gz BQFXGNDWFPURBZ-VZZFWQQMSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCCCC1 ZINC000903964808 584834329 /nfs/dbraw/zinc/83/43/29/584834329.db2.gz WGMMUELEWJTSMX-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000903965050 584834613 /nfs/dbraw/zinc/83/46/13/584834613.db2.gz YUZQWJHRJDZLIN-YVECIDJPSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000903964885 584834660 /nfs/dbraw/zinc/83/46/60/584834660.db2.gz XSQXRMDQZGUIFT-FVCCEPFGSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](CCc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967345 584834986 /nfs/dbraw/zinc/83/49/86/584834986.db2.gz HUJONFWOMWFCLJ-YCPHGPKFSA-N 1 3 246.398 2.453 20 0 BEADHO COC[C@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904321024 584864323 /nfs/dbraw/zinc/86/43/23/584864323.db2.gz TXHPMMYWKQXQTG-STQMWFEESA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904321024 584864325 /nfs/dbraw/zinc/86/43/25/584864325.db2.gz TXHPMMYWKQXQTG-STQMWFEESA-N 1 3 242.407 2.108 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@@H]3CCCC[C@@H]32)C1 ZINC000904324220 584864561 /nfs/dbraw/zinc/86/45/61/584864561.db2.gz FRHGMWYGPUUNJQ-QNWHQSFQSA-N 1 3 240.416 2.084 20 0 BEADHO C[C@@H]1c2c(F)cccc2CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322312 584864892 /nfs/dbraw/zinc/86/48/92/584864892.db2.gz WDBAXQNRNYXICZ-WZRBSPASSA-N 1 3 248.345 2.482 20 0 BEADHO C[C@H]1c2c(F)cccc2CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322311 584864951 /nfs/dbraw/zinc/86/49/51/584864951.db2.gz WDBAXQNRNYXICZ-GMXVVIOVSA-N 1 3 248.345 2.482 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@H]3CCCC[C@H]32)C1 ZINC000904324222 584865005 /nfs/dbraw/zinc/86/50/05/584865005.db2.gz FRHGMWYGPUUNJQ-XQHKEYJVSA-N 1 3 240.416 2.084 20 0 BEADHO CC[C@@](C)(CCO)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904329461 584865741 /nfs/dbraw/zinc/86/57/41/584865741.db2.gz NWHXJVAEHRXGJV-JSGCOSHPSA-N 1 3 244.423 2.281 20 0 BEADHO Cc1csc(C(C)(C)NC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000904328568 584865934 /nfs/dbraw/zinc/86/59/34/584865934.db2.gz GYBKZJLODSCOBD-AOOOYVTPSA-N 1 3 239.388 2.014 20 0 BEADHO C[N@H+](CCCCCO)C[C@H](N)CCC(C)(C)C ZINC000904340614 584866644 /nfs/dbraw/zinc/86/66/44/584866644.db2.gz AGHICJLQQDXYMF-CYBMUJFWSA-N 1 3 244.423 2.234 20 0 BEADHO C[N@@H+](CCCCCO)C[C@H](N)CCC(C)(C)C ZINC000904340614 584866645 /nfs/dbraw/zinc/86/66/45/584866645.db2.gz AGHICJLQQDXYMF-CYBMUJFWSA-N 1 3 244.423 2.234 20 0 BEADHO Cc1ccc(F)c(CN(C)C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904343285 584867707 /nfs/dbraw/zinc/86/77/07/584867707.db2.gz SDHMCQNOAHCAAP-BJHJDKERSA-N 1 3 236.334 2.303 20 0 BEADHO C[C@@H]1COc2ccccc2CN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345333 584868418 /nfs/dbraw/zinc/86/84/18/584868418.db2.gz CWHBYBDSPNVDHB-BZPMIXESSA-N 1 3 246.354 2.007 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000904350978 584869515 /nfs/dbraw/zinc/86/95/15/584869515.db2.gz SSSZQHNVFITXLZ-CFVMTHIKSA-N 1 3 248.345 2.294 20 0 BEADHO COc1ccc(C)cc1[C@@H](C)NC1CC(C[NH3+])C1 ZINC000904371732 584873039 /nfs/dbraw/zinc/87/30/39/584873039.db2.gz SDTGCGWLXYMMFM-PNESKVBLSA-N 1 3 248.370 2.392 20 0 BEADHO C[C@]1(CNCCc2cccs2)CCC[NH2+]C1 ZINC000904363971 584874374 /nfs/dbraw/zinc/87/43/74/584874374.db2.gz HFWUSWIQLPSTCK-ZDUSSCGKSA-N 1 3 238.400 2.270 20 0 BEADHO C[C@]1(C[NH2+]CCc2cccs2)CCCNC1 ZINC000904363971 584874375 /nfs/dbraw/zinc/87/43/75/584874375.db2.gz HFWUSWIQLPSTCK-ZDUSSCGKSA-N 1 3 238.400 2.270 20 0 BEADHO C[C@]1(CN2CCC(CCF)CC2)CCC[NH2+]C1 ZINC000904383934 584877126 /nfs/dbraw/zinc/87/71/26/584877126.db2.gz DINUGNJMJQRYNK-AWEZNQCLSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@]1(C[NH+]2CCC(CCF)CC2)CCCNC1 ZINC000904383934 584877127 /nfs/dbraw/zinc/87/71/27/584877127.db2.gz DINUGNJMJQRYNK-AWEZNQCLSA-N 1 3 242.382 2.448 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN[C@@H]2c3ccccc3CC[C@@H]2F)C1 ZINC000904386175 584878126 /nfs/dbraw/zinc/87/81/26/584878126.db2.gz RHVIEBZAIHRMPF-MMMKDXCPSA-N 1 3 248.345 2.339 20 0 BEADHO COc1c(C)cc(C[NH2+][C@@H](C)[C@@H](C)N)cc1C ZINC000841082170 584883137 /nfs/dbraw/zinc/88/31/37/584883137.db2.gz WPRVCXHSYXAKPM-NEPJUHHUSA-N 1 3 236.359 2.137 20 0 BEADHO CCOc1cccc([C@H](C)NCC[C@H](C)[NH3+])c1 ZINC000817952142 584992007 /nfs/dbraw/zinc/99/20/07/584992007.db2.gz HYBMXCIHJYFTTE-RYUDHWBXSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc2c(c1)CCO2 ZINC000817960983 584992225 /nfs/dbraw/zinc/99/22/25/584992225.db2.gz VQTKIYPJBPCIFO-SNVBAGLBSA-N 1 3 234.343 2.009 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2NC[C@@H](C)C[NH3+] ZINC000817962453 584992446 /nfs/dbraw/zinc/99/24/46/584992446.db2.gz MJLITHKGROVINV-SMDDNHRTSA-N 1 3 218.344 2.167 20 0 BEADHO C[N@@H+]1CCC[C@H](CCNCc2ccoc2)C1 ZINC000839182660 585096690 /nfs/dbraw/zinc/09/66/90/585096690.db2.gz OSFKUMMOEXJNSQ-GFCCVEGCSA-N 1 3 222.332 2.101 20 0 BEADHO C[N@H+]1CCC[C@H](CCNCc2ccoc2)C1 ZINC000839182660 585096691 /nfs/dbraw/zinc/09/66/91/585096691.db2.gz OSFKUMMOEXJNSQ-GFCCVEGCSA-N 1 3 222.332 2.101 20 0 BEADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)co1 ZINC000775021913 585670589 /nfs/dbraw/zinc/67/05/89/585670589.db2.gz AUCNLZGDBCISRV-UHFFFAOYSA-N 1 3 234.343 2.244 20 0 BEADHO CCC[C@H](C)CN1CCC([NH+](C)C)CC1 ZINC000775654266 585682237 /nfs/dbraw/zinc/68/22/37/585682237.db2.gz WBYAPDNBBVQDNP-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782185543 585810589 /nfs/dbraw/zinc/81/05/89/585810589.db2.gz HGSNFLPSTGCFKQ-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782185543 585810590 /nfs/dbraw/zinc/81/05/90/585810590.db2.gz HGSNFLPSTGCFKQ-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000788471087 585925255 /nfs/dbraw/zinc/92/52/55/585925255.db2.gz UCTIPNKCMWTLIM-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000788471087 585925256 /nfs/dbraw/zinc/92/52/56/585925256.db2.gz UCTIPNKCMWTLIM-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO CC[C@H]1C[N@H+](CC2CCN(C)CC2)CCS1 ZINC000788480635 585925431 /nfs/dbraw/zinc/92/54/31/585925431.db2.gz BWBRTCIMLQIVED-ZDUSSCGKSA-N 1 3 242.432 2.156 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CCN(C)CC2)CCS1 ZINC000788480635 585925432 /nfs/dbraw/zinc/92/54/32/585925432.db2.gz BWBRTCIMLQIVED-ZDUSSCGKSA-N 1 3 242.432 2.156 20 0 BEADHO CSC[C@@H]1CCC[N@@H+]1CC1CCN(C)CC1 ZINC000788489306 585925519 /nfs/dbraw/zinc/92/55/19/585925519.db2.gz XHFBIDAJFFGHFE-ZDUSSCGKSA-N 1 3 242.432 2.156 20 0 BEADHO CSC[C@@H]1CCC[N@H+]1CC1CCN(C)CC1 ZINC000788489306 585925520 /nfs/dbraw/zinc/92/55/20/585925520.db2.gz XHFBIDAJFFGHFE-ZDUSSCGKSA-N 1 3 242.432 2.156 20 0 BEADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccoc3)C2)CC1 ZINC000809756114 586517578 /nfs/dbraw/zinc/51/75/78/586517578.db2.gz PXESPSWXOGXBDW-OAHLLOKOSA-N 1 3 248.370 2.443 20 0 BEADHO CSC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000817899291 586835738 /nfs/dbraw/zinc/83/57/38/586835738.db2.gz KVYLSWBWOOJYLP-GHMZBOCLSA-N 1 3 230.421 2.106 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000817900502 586836321 /nfs/dbraw/zinc/83/63/21/586836321.db2.gz PHDXFVDZAIFMOO-RVMXOQNASA-N 1 3 242.432 2.248 20 0 BEADHO CC[C@@H]([NH2+]CCC1CCC1)[C@@H]1CCCN1 ZINC000817907863 586836954 /nfs/dbraw/zinc/83/69/54/586836954.db2.gz XVJXJOFKECRRCK-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCSC(C)(C)C ZINC000817908952 586837502 /nfs/dbraw/zinc/83/75/02/586837502.db2.gz UKDGHBXVADHSHN-ZJUUUORDSA-N 1 3 218.410 2.234 20 0 BEADHO C[C@H](CSC(C)(C)C)NCC[C@H](C)[NH3+] ZINC000817951110 586840912 /nfs/dbraw/zinc/84/09/12/586840912.db2.gz BLXNURFNEIBWRZ-VHSXEESVSA-N 1 3 218.410 2.234 20 0 BEADHO CCOc1cccc([C@@H](C)NCCC[NH3+])c1 ZINC000817938738 586843876 /nfs/dbraw/zinc/84/38/76/586843876.db2.gz RCYLWPZHGDVHSD-LLVKDONJSA-N 1 3 222.332 2.085 20 0 BEADHO C[C@H](CSC(C)(C)C)NC[C@H]1CCC[NH2+]C1 ZINC000817945539 586846311 /nfs/dbraw/zinc/84/63/11/586846311.db2.gz FWYQBJNSKOGRQD-NEPJUHHUSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000817945539 586846312 /nfs/dbraw/zinc/84/63/12/586846312.db2.gz FWYQBJNSKOGRQD-NEPJUHHUSA-N 1 3 244.448 2.496 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC(C)(C)N ZINC000817960797 586846927 /nfs/dbraw/zinc/84/69/27/586846927.db2.gz QKDDEBWJPMBKAS-ZDUSSCGKSA-N 1 3 218.344 2.309 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2NCC[C@H](C)[NH3+] ZINC000817951100 586848036 /nfs/dbraw/zinc/84/80/36/586848036.db2.gz BGIKKEGOHVAYCG-FZMZJTMJSA-N 1 3 218.344 2.309 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000817954228 586849430 /nfs/dbraw/zinc/84/94/30/586849430.db2.gz XNKRMWROYARVIZ-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CSC(C)(C)C ZINC000817961993 586853263 /nfs/dbraw/zinc/85/32/63/586853263.db2.gz GBDSOPBGXLQTGQ-NXEZZACHSA-N 1 3 218.410 2.091 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](C)CSC(C)(C)C ZINC000817961993 586853266 /nfs/dbraw/zinc/85/32/66/586853266.db2.gz GBDSOPBGXLQTGQ-NXEZZACHSA-N 1 3 218.410 2.091 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](N)C1CC1 ZINC000817964495 586854160 /nfs/dbraw/zinc/85/41/60/586854160.db2.gz ANFFFPLARWZGJU-LSDHHAIUSA-N 1 3 230.355 2.309 20 0 BEADHO C[C@H](CSC(C)(C)C)NC[C@@H]([NH3+])C1CC1 ZINC000817965643 586855433 /nfs/dbraw/zinc/85/54/33/586855433.db2.gz SRDMAZXFGHCDJB-MWLCHTKSSA-N 1 3 230.421 2.234 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc2c(c1)CCO2 ZINC000817977143 586861656 /nfs/dbraw/zinc/86/16/56/586861656.db2.gz CHQXAIDREVAXNL-MJVIPROJSA-N 1 3 248.370 2.398 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817979155 586861732 /nfs/dbraw/zinc/86/17/32/586861732.db2.gz IGVPBYZZNVKORJ-MFKMUULPSA-N 1 3 234.343 2.009 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817979547 586862054 /nfs/dbraw/zinc/86/20/54/586862054.db2.gz LOGQAQGTVVYRME-UWVGGRQHSA-N 1 3 218.410 2.234 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc2c(c1)CCO2 ZINC000817977145 586862076 /nfs/dbraw/zinc/86/20/76/586862076.db2.gz CHQXAIDREVAXNL-WDMOLILDSA-N 1 3 248.370 2.398 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)CSC(C)(C)C ZINC000817979545 586862131 /nfs/dbraw/zinc/86/21/31/586862131.db2.gz LOGQAQGTVVYRME-NXEZZACHSA-N 1 3 218.410 2.234 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cncc2ccccc21 ZINC000841052697 587940175 /nfs/dbraw/zinc/94/01/75/587940175.db2.gz WBVMZQQTFISJAO-NSHDSACASA-N 1 3 229.327 2.062 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841073510 587943889 /nfs/dbraw/zinc/94/38/89/587943889.db2.gz YCOOHSQLSKRSOR-ZDUSSCGKSA-N 1 3 248.370 2.227 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000844923584 588218833 /nfs/dbraw/zinc/21/88/33/588218833.db2.gz LMZAYSWTKXHATN-XWLWVQCSSA-N 1 3 236.762 2.407 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CC[C@H]1C ZINC000845997128 588252731 /nfs/dbraw/zinc/25/27/31/588252731.db2.gz VBDZVUWRSLLURG-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CC[C@H]1C ZINC000845997127 588252957 /nfs/dbraw/zinc/25/29/57/588252957.db2.gz VBDZVUWRSLLURG-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO [NH3+]CCCCCCN1CCc2ccc(O)cc2C1 ZINC000846217807 588260653 /nfs/dbraw/zinc/26/06/53/588260653.db2.gz CNOAJUURYKXICA-UHFFFAOYSA-N 1 3 248.370 2.269 20 0 BEADHO Cl/C=C\CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000846220583 588261172 /nfs/dbraw/zinc/26/11/72/588261172.db2.gz LTUAUYCYNUXNHG-RSUUKKISSA-N 1 3 228.767 2.060 20 0 BEADHO Cl/C=C/CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000846221252 588261459 /nfs/dbraw/zinc/26/14/59/588261459.db2.gz VICACEDIOOXPKE-OMJJQCQUSA-N 1 3 228.767 2.060 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000862483593 589217080 /nfs/dbraw/zinc/21/70/80/589217080.db2.gz VDGQZBXKPKTUCC-VOMCLLRMSA-N 1 3 246.345 2.352 20 0 BEADHO CC(C)OCC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705269 589514749 /nfs/dbraw/zinc/51/47/49/589514749.db2.gz WOFJYTOUPWHEJT-CQSZACIVSA-N 1 3 242.407 2.108 20 0 BEADHO CC(C)OCC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705269 589514750 /nfs/dbraw/zinc/51/47/50/589514750.db2.gz WOFJYTOUPWHEJT-CQSZACIVSA-N 1 3 242.407 2.108 20 0 BEADHO c1cc(N[C@H]2CCN(C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872422319 589938461 /nfs/dbraw/zinc/93/84/61/589938461.db2.gz KNMJMIIATQXQJS-LBPRGKRZSA-N 1 3 243.354 2.030 20 0 BEADHO CC(C)(N)C[N@@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000873226875 590001282 /nfs/dbraw/zinc/00/12/82/590001282.db2.gz CUGGEASLSNVCDP-MRXNPFEDSA-N 1 3 244.382 2.314 20 0 BEADHO CC(C)(N)C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000873226875 590001285 /nfs/dbraw/zinc/00/12/85/590001285.db2.gz CUGGEASLSNVCDP-MRXNPFEDSA-N 1 3 244.382 2.314 20 0 BEADHO CCC(CC)C[NH2+][C@@]12CCC[C@@H]1NCC2 ZINC000873229812 590001865 /nfs/dbraw/zinc/00/18/65/590001865.db2.gz GJORUKXVMMZFSP-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)C(C)(F)F ZINC000873251031 590008323 /nfs/dbraw/zinc/00/83/23/590008323.db2.gz IAYTZBGAEIGCFJ-DTWKUNHWSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)C(C)(F)F ZINC000873251031 590008325 /nfs/dbraw/zinc/00/83/25/590008325.db2.gz IAYTZBGAEIGCFJ-DTWKUNHWSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873256935 590011884 /nfs/dbraw/zinc/01/18/84/590011884.db2.gz RGQYXANCHZUFMZ-KKZNHRDASA-N 1 3 240.297 2.353 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000873258526 590013127 /nfs/dbraw/zinc/01/31/27/590013127.db2.gz RGQYXANCHZUFMZ-FXPVBKGRSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC1([C@@H]2CCCCO2)CCC1 ZINC000873277520 590017748 /nfs/dbraw/zinc/01/77/48/590017748.db2.gz TUTAKSXOFHCNMZ-AVGNSLFASA-N 1 3 240.391 2.194 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2ncccc12 ZINC000873282337 590018242 /nfs/dbraw/zinc/01/82/42/590018242.db2.gz CGSJKANKBVUZTQ-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC1CC(Nc2ccccc2)C1 ZINC000873295321 590024192 /nfs/dbraw/zinc/02/41/92/590024192.db2.gz FRYUMYSBLRYALE-CVSAEHQPSA-N 1 3 245.370 2.099 20 0 BEADHO CC[C@@H](C)[C@@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC000876596489 590219913 /nfs/dbraw/zinc/21/99/13/590219913.db2.gz RGBUPVIQBLDEAD-TZMCWYRMSA-N 1 3 242.407 2.074 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877740162 590406400 /nfs/dbraw/zinc/40/64/00/590406400.db2.gz IUCZJLMTGKADSU-OLZOCXBDSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877740162 590406402 /nfs/dbraw/zinc/40/64/02/590406402.db2.gz IUCZJLMTGKADSU-OLZOCXBDSA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877742956 590408321 /nfs/dbraw/zinc/40/83/21/590408321.db2.gz SHYKWBFDSJOVBK-AVGNSLFASA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877742956 590408322 /nfs/dbraw/zinc/40/83/22/590408322.db2.gz SHYKWBFDSJOVBK-AVGNSLFASA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877742958 590408498 /nfs/dbraw/zinc/40/84/98/590408498.db2.gz SHYKWBFDSJOVBK-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877742958 590408499 /nfs/dbraw/zinc/40/84/99/590408499.db2.gz SHYKWBFDSJOVBK-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO CN1CC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743366 590411184 /nfs/dbraw/zinc/41/11/84/590411184.db2.gz VIQJSJHFHGUSRR-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CN1CC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC000877743366 590411186 /nfs/dbraw/zinc/41/11/86/590411186.db2.gz VIQJSJHFHGUSRR-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](CF)C1 ZINC000880237078 590968685 /nfs/dbraw/zinc/96/86/85/590968685.db2.gz PQJFWUHTRMIKBL-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](CF)C1 ZINC000880237078 590968687 /nfs/dbraw/zinc/96/86/87/590968687.db2.gz PQJFWUHTRMIKBL-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCC2)CCN1c1ccncc1 ZINC000880259088 590979392 /nfs/dbraw/zinc/97/93/92/590979392.db2.gz MKHNKCYSTJKYHC-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCC2)CCN1c1ccncc1 ZINC000880259088 590979393 /nfs/dbraw/zinc/97/93/93/590979393.db2.gz MKHNKCYSTJKYHC-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1CN(CC[C@H]2CCCC2(F)F)CC[C@H]1[NH3+] ZINC000883417808 591654242 /nfs/dbraw/zinc/65/42/42/591654242.db2.gz NSFKDSANWZQVLX-IJLUTSLNSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@@]1(C[NH3+])CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883428200 591660573 /nfs/dbraw/zinc/66/05/73/591660573.db2.gz NXIVYRLGDRRYBW-RYUDHWBXSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883428200 591660576 /nfs/dbraw/zinc/66/05/76/591660576.db2.gz NXIVYRLGDRRYBW-RYUDHWBXSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000883428200 591660578 /nfs/dbraw/zinc/66/05/78/591660578.db2.gz NXIVYRLGDRRYBW-RYUDHWBXSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CN ZINC000883438458 591667800 /nfs/dbraw/zinc/66/78/00/591667800.db2.gz TVOVWDFZRADSPR-UTUOFQBUSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1CN ZINC000883438458 591667802 /nfs/dbraw/zinc/66/78/02/591667802.db2.gz TVOVWDFZRADSPR-UTUOFQBUSA-N 1 3 246.345 2.339 20 0 BEADHO Cc1ccccc1OCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000883441984 591669424 /nfs/dbraw/zinc/66/94/24/591669424.db2.gz BSJZBCOKXWCMMZ-UONOGXRCSA-N 1 3 248.370 2.089 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NCCSC(F)(F)F ZINC000886840323 592359515 /nfs/dbraw/zinc/35/95/15/592359515.db2.gz ZCVRWQZTNRDRIB-ZETCQYMHSA-N 1 3 244.326 2.202 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NCCSC(F)(F)F ZINC000886840322 592359961 /nfs/dbraw/zinc/35/99/61/592359961.db2.gz ZCVRWQZTNRDRIB-SSDOTTSWSA-N 1 3 244.326 2.202 20 0 BEADHO COC(C)(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300067103 592502548 /nfs/dbraw/zinc/50/25/48/592502548.db2.gz QTJUNDPTUFDZHM-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO COC(C)(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300067103 592502550 /nfs/dbraw/zinc/50/25/50/592502550.db2.gz QTJUNDPTUFDZHM-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO COC(C)(C)CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300067103 592502552 /nfs/dbraw/zinc/50/25/52/592502552.db2.gz QTJUNDPTUFDZHM-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000300392903 592510374 /nfs/dbraw/zinc/51/03/74/592510374.db2.gz WBUCLRYCJBAAIB-NOOOWODRSA-N 1 3 228.405 2.130 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000223779604 592543499 /nfs/dbraw/zinc/54/34/99/592543499.db2.gz NSYQRFYQGDCNLK-MELADBBJSA-N 1 3 240.391 2.053 20 0 BEADHO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925783889 635296627 /nfs/dbraw/zinc/29/66/27/635296627.db2.gz LPLJWZMIXUOPPZ-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925831627 635469888 /nfs/dbraw/zinc/46/98/88/635469888.db2.gz KIMCLULEQHKFEV-IVZWLZJFSA-N 1 3 248.292 2.059 20 0 BEADHO Cc1ccccc1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933744314 631502762 /nfs/dbraw/zinc/50/27/62/631502762.db2.gz FBVTZYJDCSNARK-CVEARBPZSA-N 1 3 244.382 2.379 20 0 BEADHO Cc1ccccc1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933744314 631502768 /nfs/dbraw/zinc/50/27/68/631502768.db2.gz FBVTZYJDCSNARK-CVEARBPZSA-N 1 3 244.382 2.379 20 0 BEADHO Cc1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000258675535 631579770 /nfs/dbraw/zinc/57/97/70/631579770.db2.gz HWNNUNRCQUZHHY-UHFFFAOYSA-N 1 3 206.333 2.212 20 0 BEADHO NC1(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000258976852 631704486 /nfs/dbraw/zinc/70/44/86/631704486.db2.gz BZUQHQPYKPJQGG-UHFFFAOYSA-N 1 3 216.284 2.014 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCC1 ZINC000235087446 631977595 /nfs/dbraw/zinc/97/75/95/631977595.db2.gz JRPPMSVVLUEXAI-VXGBXAGGSA-N 1 3 242.432 2.379 20 0 BEADHO C[C@@H](C1CC1)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219754868 632564818 /nfs/dbraw/zinc/56/48/18/632564818.db2.gz NRYXWBRWGQJGMK-AAEUAGOBSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H](C1CC1)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219754868 632564827 /nfs/dbraw/zinc/56/48/27/632564827.db2.gz NRYXWBRWGQJGMK-AAEUAGOBSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000219757666 632567964 /nfs/dbraw/zinc/56/79/64/632567964.db2.gz DFFDOAQXEMRDRC-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000219757666 632567974 /nfs/dbraw/zinc/56/79/74/632567974.db2.gz DFFDOAQXEMRDRC-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](CN)C2)C1 ZINC000084344518 632637844 /nfs/dbraw/zinc/63/78/44/632637844.db2.gz KXQMSPQWDLBSJD-FRRDWIJNSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](CN)C2)C1 ZINC000084344518 632637848 /nfs/dbraw/zinc/63/78/48/632637848.db2.gz KXQMSPQWDLBSJD-FRRDWIJNSA-N 1 3 210.365 2.093 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@H](N)[C@@H](C)C2)c1 ZINC000235684374 632812930 /nfs/dbraw/zinc/81/29/30/632812930.db2.gz PASPCRFCOCPAPP-JSGCOSHPSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@H](N)[C@@H](C)C2)c1 ZINC000235684374 632812931 /nfs/dbraw/zinc/81/29/31/632812931.db2.gz PASPCRFCOCPAPP-JSGCOSHPSA-N 1 3 218.344 2.082 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328420707 633763011 /nfs/dbraw/zinc/76/30/11/633763011.db2.gz JVHYNKGRAPVNNE-QLMDPUNJSA-N 1 3 234.387 2.009 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328420708 633763669 /nfs/dbraw/zinc/76/36/69/633763669.db2.gz JVHYNKGRAPVNNE-SRGUQECISA-N 1 3 234.387 2.009 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925503049 633826606 /nfs/dbraw/zinc/82/66/06/633826606.db2.gz JQRCWPWUZHGURF-LLVKDONJSA-N 1 3 228.405 2.004 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925503605 633830499 /nfs/dbraw/zinc/83/04/99/633830499.db2.gz KQIRACGWZXBUFZ-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO CCCC[C@H](COC)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925503605 633830506 /nfs/dbraw/zinc/83/05/06/633830506.db2.gz KQIRACGWZXBUFZ-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925541114 633955204 /nfs/dbraw/zinc/95/52/04/633955204.db2.gz HMUUOVTWYREYSU-MRVWCRGKSA-N 1 3 245.370 2.045 20 0 BEADHO C[C@H]1[NH2+]CCC[C@H]1NCC1Cc2ccccc2C1 ZINC000925602215 634130114 /nfs/dbraw/zinc/13/01/14/634130114.db2.gz RLYYFKFPMNUXGD-MLGOLLRUSA-N 1 3 244.382 2.132 20 0 BEADHO C1CC2(C1)[NH2+]CC[C@@H]2N[C@@H]1CC2CCC1CC2 ZINC000925675903 634262687 /nfs/dbraw/zinc/26/26/87/634262687.db2.gz HDWFSKYGQBKRSC-PQAZSJQKSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000925675903 634262692 /nfs/dbraw/zinc/26/26/92/634262692.db2.gz HDWFSKYGQBKRSC-PQAZSJQKSA-N 1 3 234.387 2.439 20 0 BEADHO FCCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925677633 634269904 /nfs/dbraw/zinc/26/99/04/634269904.db2.gz XFPHPFIXFLSYBI-KBPBESRZSA-N 1 3 242.382 2.494 20 0 BEADHO C[C@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000258608098 635171319 /nfs/dbraw/zinc/17/13/19/635171319.db2.gz AXCLJFWKAMJEPQ-NSHDSACASA-N 1 3 206.333 2.465 20 0 BEADHO C[C@@H](NCCC(C)(C)[NH3+])c1ccccc1 ZINC000258608097 635171463 /nfs/dbraw/zinc/17/14/63/635171463.db2.gz AXCLJFWKAMJEPQ-LLVKDONJSA-N 1 3 206.333 2.465 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000925768153 635187826 /nfs/dbraw/zinc/18/78/26/635187826.db2.gz TVEPVVXCBNZBJL-BBRMVZONSA-N 1 3 246.398 2.451 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000925768158 635188153 /nfs/dbraw/zinc/18/81/53/635188153.db2.gz TVEPVVXCBNZBJL-CJNGLKHVSA-N 1 3 246.398 2.451 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925772524 635213814 /nfs/dbraw/zinc/21/38/14/635213814.db2.gz IKFQXXZRABMWBB-MBJXGIAVSA-N 1 3 234.387 2.153 20 0 BEADHO Cc1ccccc1CNCCC(C)(C)[NH3+] ZINC000258954467 635229523 /nfs/dbraw/zinc/22/95/23/635229523.db2.gz RTAPYGPVUSJLIE-UHFFFAOYSA-N 1 3 206.333 2.212 20 0 BEADHO CC(C)c1ccc(CCNCC2([NH3+])CC2)cc1 ZINC000259034601 635234719 /nfs/dbraw/zinc/23/47/19/635234719.db2.gz ILHUUYGBGGMJAD-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000094522061 635368302 /nfs/dbraw/zinc/36/83/02/635368302.db2.gz VJBMVZVMOBFTNT-CYBMUJFWSA-N 1 3 230.355 2.345 20 0 BEADHO CC1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCC1 ZINC000328573047 636298875 /nfs/dbraw/zinc/29/88/75/636298875.db2.gz VJNJXWIRCXEVJZ-MEBFFEOJSA-N 1 3 234.387 2.153 20 0 BEADHO CC(C)C[C@@H](N)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000904443482 637411029 /nfs/dbraw/zinc/41/10/29/637411029.db2.gz LTDGLDAVIJQLIN-OLZOCXBDSA-N 1 3 240.391 2.051 20 0 BEADHO NC1CC([NH2+]CCCCCOc2ccccc2)C1 ZINC000906510867 638183088 /nfs/dbraw/zinc/18/30/88/638183088.db2.gz NANVSYSEHRTACQ-UHFFFAOYSA-N 1 3 248.370 2.315 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+]C2CC(N)C2)C1 ZINC000906510159 638184400 /nfs/dbraw/zinc/18/44/00/638184400.db2.gz OKGWCNLKCSITTF-OKZRHMCRSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@H]2C[C@H](N)C2)C1 ZINC000906516724 638188074 /nfs/dbraw/zinc/18/80/74/638188074.db2.gz IYUJORVIJPZOLZ-SRVKXCTJSA-N 1 3 210.365 2.282 20 0 BEADHO CCCC[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000906530043 638189329 /nfs/dbraw/zinc/18/93/29/638189329.db2.gz WHCYDAAHMIRTGD-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CO[C@@H](C)CN1CCCCCCC[NH3+] ZINC000035787403 639945256 /nfs/dbraw/zinc/94/52/56/639945256.db2.gz DVTBGNYSBNZVBI-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO C[NH+](C)[C@@H]1[C@H]2CN(CCC3=CCCCC3)C[C@H]21 ZINC000931278091 640129234 /nfs/dbraw/zinc/12/92/34/640129234.db2.gz XGWZKPRXNQODGQ-FICVDOATSA-N 1 3 234.387 2.369 20 0 BEADHO CC1CC(CN2CCC(C)([NH+](C)C)CC2)C1 ZINC000931355805 640168532 /nfs/dbraw/zinc/16/85/32/640168532.db2.gz AJZSSFAVXZITNV-UHFFFAOYSA-N 1 3 224.392 2.449 20 0 BEADHO CC1CC(C[NH+]2CCC(C)(N(C)C)CC2)C1 ZINC000931355805 640168539 /nfs/dbraw/zinc/16/85/39/640168539.db2.gz AJZSSFAVXZITNV-UHFFFAOYSA-N 1 3 224.392 2.449 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000165424489 640575153 /nfs/dbraw/zinc/57/51/53/640575153.db2.gz HYLKQKNSKJWRHZ-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)SCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731904 640754495 /nfs/dbraw/zinc/75/44/95/640754495.db2.gz JBXBWUHNKYWZAA-QWHCGFSZSA-N 1 3 242.432 2.012 20 0 BEADHO CC(C)SCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731904 640754489 /nfs/dbraw/zinc/75/44/89/640754489.db2.gz JBXBWUHNKYWZAA-QWHCGFSZSA-N 1 3 242.432 2.012 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000230412279 641052374 /nfs/dbraw/zinc/05/23/74/641052374.db2.gz RZEGZUTXLGLUGV-YVECIDJPSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)[C@H](C)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862066 641100648 /nfs/dbraw/zinc/10/06/48/641100648.db2.gz POZKBXFBYCFORJ-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)[C@H](C)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862066 641100651 /nfs/dbraw/zinc/10/06/51/641100651.db2.gz POZKBXFBYCFORJ-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO CCCC[N@H+](CC)C[C@]1(C)CCCNC1 ZINC000062861725 641100964 /nfs/dbraw/zinc/10/09/64/641100964.db2.gz JRFNPJUSMKDFII-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CCCC[N@@H+](CC)C[C@]1(C)CCCNC1 ZINC000062861725 641100967 /nfs/dbraw/zinc/10/09/67/641100967.db2.gz JRFNPJUSMKDFII-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CC[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000062862089 641101702 /nfs/dbraw/zinc/10/17/02/641101702.db2.gz XBYYMBDUUDYABM-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000062862089 641101705 /nfs/dbraw/zinc/10/17/05/641101705.db2.gz XBYYMBDUUDYABM-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](Cc1cccnc1)[NH2+]CC[C@H]1CCCN1C ZINC000934233020 641109662 /nfs/dbraw/zinc/10/96/62/641109662.db2.gz HNJYTATYGRGVSK-UKRRQHHQSA-N 1 3 247.386 2.087 20 0 BEADHO C[C@@H](Cc1cccnc1)[NH2+]CC[C@@H]1CCCN1C ZINC000934233021 641110025 /nfs/dbraw/zinc/11/00/25/641110025.db2.gz HNJYTATYGRGVSK-ZFWWWQNUSA-N 1 3 247.386 2.087 20 0 BEADHO C[C@@H]1CC[N@H+](CC2(C)CCC2)C[C@H]1CN ZINC000261531000 641427092 /nfs/dbraw/zinc/42/70/92/641427092.db2.gz DVZQPQFMUGUBGV-VXGBXAGGSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2(C)CCC2)C[C@H]1CN ZINC000261531000 641427097 /nfs/dbraw/zinc/42/70/97/641427097.db2.gz DVZQPQFMUGUBGV-VXGBXAGGSA-N 1 3 210.365 2.093 20 0 BEADHO CC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCC1 ZINC000233020328 642643936 /nfs/dbraw/zinc/64/39/36/642643936.db2.gz WEZYVDQDMLRODJ-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO CCO[C@@H]1C[C@@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000233741917 642692661 /nfs/dbraw/zinc/69/26/61/642692661.db2.gz KRWKKMIULPQXPY-VXGBXAGGSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1cccs1 ZINC000259086647 643381466 /nfs/dbraw/zinc/38/14/66/643381466.db2.gz RNHWPKGUEOARJT-GHMZBOCLSA-N 1 3 238.400 2.495 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000084216477 643650393 /nfs/dbraw/zinc/65/03/93/643650393.db2.gz DKIKJVKJVORTIV-CHWSQXEVSA-N 1 3 238.400 2.398 20 0 BEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCOCC2)c2ccccc21 ZINC000261554994 643664463 /nfs/dbraw/zinc/66/44/63/643664463.db2.gz BEQSXUGPDHYSOC-DFBGVHRSSA-N 1 3 246.354 2.290 20 0 BEADHO CCCCCC[C@@H](O)CN1CCC(C)([NH3+])CC1 ZINC000923346306 644364609 /nfs/dbraw/zinc/36/46/09/644364609.db2.gz PDJYFSZMJLWLES-CYBMUJFWSA-N 1 3 242.407 2.131 20 0 BEADHO CCCCCC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923367247 644377960 /nfs/dbraw/zinc/37/79/60/644377960.db2.gz DRCGRCFVOQQYEG-CHWSQXEVSA-N 1 3 244.423 2.281 20 0 BEADHO CCCCCC[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392204 644399625 /nfs/dbraw/zinc/39/96/25/644399625.db2.gz IIOZYAKZXCMRGU-MJBXVCDLSA-N 1 3 242.407 2.129 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CN1CC1CCC2(CC2)CC1 ZINC000923411284 644413880 /nfs/dbraw/zinc/41/38/80/644413880.db2.gz BZSHAZHMAKUXQQ-WCQYABFASA-N 1 3 222.376 2.378 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CN1CC1CCC2(CC2)CC1 ZINC000923411283 644414172 /nfs/dbraw/zinc/41/41/72/644414172.db2.gz BZSHAZHMAKUXQQ-DGCLKSJQSA-N 1 3 222.376 2.378 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000084215933 644420372 /nfs/dbraw/zinc/42/03/72/644420372.db2.gz CPAVKGZWKZYTTC-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO CCCCCC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923420265 644425329 /nfs/dbraw/zinc/42/53/29/644425329.db2.gz HFLSFXKHIWXGLI-YNEHKIRRSA-N 1 3 242.407 2.033 20 0 BEADHO CCCCCC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923420265 644425332 /nfs/dbraw/zinc/42/53/32/644425332.db2.gz HFLSFXKHIWXGLI-YNEHKIRRSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@@H](C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1)C(C)(C)C ZINC000923515784 644480607 /nfs/dbraw/zinc/48/06/07/644480607.db2.gz MCNNFYDAQMKNOB-RWMBFGLXSA-N 1 3 224.392 2.210 20 0 BEADHO C[C@@H](C[N@H+]1C[C@@H]2CCNC[C@@H]2C1)C(C)(C)C ZINC000923515784 644480610 /nfs/dbraw/zinc/48/06/10/644480610.db2.gz MCNNFYDAQMKNOB-RWMBFGLXSA-N 1 3 224.392 2.210 20 0 BEADHO C[C@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518954 644482688 /nfs/dbraw/zinc/48/26/88/644482688.db2.gz HIWPOJOMFQZTPR-ZQDZILKHSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H]1CCCC[C@H]1C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518954 644482692 /nfs/dbraw/zinc/48/26/92/644482692.db2.gz HIWPOJOMFQZTPR-ZQDZILKHSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@]1(Cc2cccs2)CCC[N@@H+]1CCCN ZINC000923529316 644485119 /nfs/dbraw/zinc/48/51/19/644485119.db2.gz CSISTSMWECEIJJ-CYBMUJFWSA-N 1 3 238.400 2.494 20 0 BEADHO C[C@]1(Cc2cccs2)CCC[N@H+]1CCCN ZINC000923529316 644485121 /nfs/dbraw/zinc/48/51/21/644485121.db2.gz CSISTSMWECEIJJ-CYBMUJFWSA-N 1 3 238.400 2.494 20 0 BEADHO C([C@H]1CCCN1)[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526005 644485240 /nfs/dbraw/zinc/48/52/40/644485240.db2.gz MYDBVUOKZQVMLD-RBSFLKMASA-N 1 3 234.387 2.249 20 0 BEADHO C([C@H]1CCCN1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526005 644485243 /nfs/dbraw/zinc/48/52/43/644485243.db2.gz MYDBVUOKZQVMLD-RBSFLKMASA-N 1 3 234.387 2.249 20 0 BEADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000089749191 644565543 /nfs/dbraw/zinc/56/55/43/644565543.db2.gz MHJPPKKOIWHZNJ-LBPRGKRZSA-N 1 3 236.334 2.257 20 0 BEADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCSC1 ZINC000252196660 644842915 /nfs/dbraw/zinc/84/29/15/644842915.db2.gz SMJFOKQZKVIBGJ-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925482031 645861802 /nfs/dbraw/zinc/86/18/02/645861802.db2.gz PTWDJZVVQCONPX-KVSVUVNWSA-N 1 3 222.376 2.009 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H](C)Cc1ccccn1 ZINC000924616225 646076475 /nfs/dbraw/zinc/07/64/75/646076475.db2.gz AJXHGCWGWNYEIY-CQSZACIVSA-N 1 3 249.402 2.333 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H](C)Cc1ccccn1 ZINC000924616225 646076480 /nfs/dbraw/zinc/07/64/80/646076480.db2.gz AJXHGCWGWNYEIY-CQSZACIVSA-N 1 3 249.402 2.333 20 0 BEADHO CCOCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000924697475 646093801 /nfs/dbraw/zinc/09/38/01/646093801.db2.gz JIRGXNXQPZIEQN-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925495530 646301585 /nfs/dbraw/zinc/30/15/85/646301585.db2.gz PHOLUBFEBXGVFM-AGIUHOORSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccnc2)C1 ZINC000925494069 646301646 /nfs/dbraw/zinc/30/16/46/646301646.db2.gz MZNDAPHUPGHAGB-QWHCGFSZSA-N 1 3 233.359 2.077 20 0 BEADHO CCO[C@H](CCN[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925525548 646317835 /nfs/dbraw/zinc/31/78/35/646317835.db2.gz DACPRFZOXPYGMT-MELADBBJSA-N 1 3 242.407 2.168 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C1(C2CC2)CC1 ZINC000925589807 646349350 /nfs/dbraw/zinc/34/93/50/646349350.db2.gz KSDBELAFISKIMY-LBPRGKRZSA-N 1 3 220.360 2.051 20 0 BEADHO CC1(C[NH2+][C@@H]2CCNC23CCC3)CCCC1 ZINC000925596294 646351040 /nfs/dbraw/zinc/35/10/40/646351040.db2.gz SARBIOKAQUBLQD-GFCCVEGCSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)CSCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925626335 646372444 /nfs/dbraw/zinc/37/24/44/646372444.db2.gz QAWCZNNFAGVOFF-QWHCGFSZSA-N 1 3 244.448 2.496 20 0 BEADHO CC(C)CSCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000925626336 646372924 /nfs/dbraw/zinc/37/29/24/646372924.db2.gz QAWCZNNFAGVOFF-STQMWFEESA-N 1 3 244.448 2.496 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000925686003 646413090 /nfs/dbraw/zinc/41/30/90/646413090.db2.gz PGSMOFJSPHHLRY-QNWHQSFQSA-N 1 3 220.360 2.049 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)C1(F)F ZINC000925706541 646430305 /nfs/dbraw/zinc/43/03/05/646430305.db2.gz LLTUUONSHAUPFU-IVZWLZJFSA-N 1 3 244.329 2.137 20 0 BEADHO CC1(C)[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1(F)F ZINC000925706541 646430307 /nfs/dbraw/zinc/43/03/07/646430307.db2.gz LLTUUONSHAUPFU-IVZWLZJFSA-N 1 3 244.329 2.137 20 0 BEADHO CC1(C)[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)[C@@H]2CCCN[C@@H]21 ZINC000925708052 646432460 /nfs/dbraw/zinc/43/24/60/646432460.db2.gz RCJKCVXVUJPJDT-CLHCLYRXSA-N 1 3 234.387 2.151 20 0 BEADHO C1=C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925708681 646432727 /nfs/dbraw/zinc/43/27/27/646432727.db2.gz CZMUKHXBKTXYQL-SOUVJXGZSA-N 1 3 234.387 2.463 20 0 BEADHO C1=C[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925708681 646432729 /nfs/dbraw/zinc/43/27/29/646432729.db2.gz CZMUKHXBKTXYQL-SOUVJXGZSA-N 1 3 234.387 2.463 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(N)c2)C1 ZINC000925714675 646438144 /nfs/dbraw/zinc/43/81/44/646438144.db2.gz USGLLNWVXHBYMA-KBPBESRZSA-N 1 3 247.386 2.264 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(N)c2)C1 ZINC000925714677 646439590 /nfs/dbraw/zinc/43/95/90/646439590.db2.gz USGLLNWVXHBYMA-UONOGXRCSA-N 1 3 247.386 2.264 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CNC1 ZINC000925736694 646461101 /nfs/dbraw/zinc/46/11/01/646461101.db2.gz NKINWFACRIDFJV-MWLCHTKSSA-N 1 3 232.318 2.009 20 0 BEADHO C1=CCCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925778890 646476788 /nfs/dbraw/zinc/47/67/88/646476788.db2.gz GXRUSBWVMKTMTP-CYBMUJFWSA-N 1 3 220.360 2.359 20 0 BEADHO C1=CCCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925778890 646476796 /nfs/dbraw/zinc/47/67/96/646476796.db2.gz GXRUSBWVMKTMTP-CYBMUJFWSA-N 1 3 220.360 2.359 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000925782044 646479316 /nfs/dbraw/zinc/47/93/16/646479316.db2.gz CIHNHAMYPFDKJE-AGVGLQIMSA-N 1 3 232.318 2.008 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925882233 646531549 /nfs/dbraw/zinc/53/15/49/646531549.db2.gz ZWOBYHKENVCJPI-SYQHCUMBSA-N 1 3 222.376 2.284 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000724200691 711569022 /nfs/dbraw/zinc/56/90/22/711569022.db2.gz PVVAMQJWJUCGMC-STQMWFEESA-N 1 3 208.349 2.060 20 0 BEADHO CC(C)C[C@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000396964930 711704555 /nfs/dbraw/zinc/70/45/55/711704555.db2.gz DCDFVDCNAOAGQH-WDEREUQCSA-N 1 3 234.334 2.479 20 0 BEADHO CN(CCC[NH2+]C1CC1)CCC(C)(C)C ZINC000399883920 711763057 /nfs/dbraw/zinc/76/30/57/711763057.db2.gz ICTGJTKPJLHJBN-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[N@H+](CCCNC1CC1)CCC(C)(C)C ZINC000399883920 711763058 /nfs/dbraw/zinc/76/30/58/711763058.db2.gz ICTGJTKPJLHJBN-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[N@@H+](CCCNC1CC1)CCC(C)(C)C ZINC000399883920 711763059 /nfs/dbraw/zinc/76/30/59/711763059.db2.gz ICTGJTKPJLHJBN-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 ZINC000229077826 711837523 /nfs/dbraw/zinc/83/75/23/711837523.db2.gz GEQFMEZOYWFATQ-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1(Cl)CC1 ZINC000700807810 712006684 /nfs/dbraw/zinc/00/66/84/712006684.db2.gz DTQDNPZOADJTOQ-NWDGAFQWSA-N 1 3 244.810 2.468 20 0 BEADHO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000701983933 712034593 /nfs/dbraw/zinc/03/45/93/712034593.db2.gz IZONWNBNWQMXKO-NTZNESFSSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](F)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000702647796 712058771 /nfs/dbraw/zinc/05/87/71/712058771.db2.gz WHOKHOSMUFMGFY-WHOHXGKFSA-N 1 3 228.355 2.101 20 0 BEADHO CCC[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)OCC ZINC000705378632 712130186 /nfs/dbraw/zinc/13/01/86/712130186.db2.gz YTUHMTNIGDNSSE-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)OCC ZINC000705378632 712130189 /nfs/dbraw/zinc/13/01/89/712130189.db2.gz YTUHMTNIGDNSSE-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000706929081 712161676 /nfs/dbraw/zinc/16/16/76/712161676.db2.gz OTPLVKLXKORXCO-FIYWTHMPSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000706929081 712161679 /nfs/dbraw/zinc/16/16/79/712161679.db2.gz OTPLVKLXKORXCO-FIYWTHMPSA-N 1 3 240.416 2.097 20 0 BEADHO C=C/C=C\CC[NH2+][C@@H]1CCNCC1(C)C ZINC000713464414 712460638 /nfs/dbraw/zinc/46/06/38/712460638.db2.gz JSGYHVNZIVNYSQ-FOQNGQEVSA-N 1 3 208.349 2.096 20 0 BEADHO C=C/C=C\CC[N@@H+]1CCCC[C@H]1CCN ZINC000713734695 712470424 /nfs/dbraw/zinc/47/04/24/712470424.db2.gz LGWNHINBKOSNGU-SCOBNMCVSA-N 1 3 208.349 2.322 20 0 BEADHO C[N@H+](CCCN)CC[C@H]1CCCC1(F)F ZINC000713979942 712475913 /nfs/dbraw/zinc/47/59/13/712475913.db2.gz BDZNSHMDTCWDLS-SNVBAGLBSA-N 1 3 220.307 2.093 20 0 BEADHO C[N@@H+](CCCN)CC[C@H]1CCCC1(F)F ZINC000713979942 712475914 /nfs/dbraw/zinc/47/59/14/712475914.db2.gz BDZNSHMDTCWDLS-SNVBAGLBSA-N 1 3 220.307 2.093 20 0 BEADHO CN(CCC[NH3+])CC[C@H]1CCCC1(F)F ZINC000713979942 712475915 /nfs/dbraw/zinc/47/59/15/712475915.db2.gz BDZNSHMDTCWDLS-SNVBAGLBSA-N 1 3 220.307 2.093 20 0 BEADHO CC[C@@H]1CN(CCCC(C)(F)F)CC[C@H]1[NH3+] ZINC000718709708 712777764 /nfs/dbraw/zinc/77/77/64/712777764.db2.gz UZEIRUQDIMJTKU-GHMZBOCLSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CCCC(C)(F)F)C1 ZINC000718710780 712777931 /nfs/dbraw/zinc/77/79/31/712777931.db2.gz XXMGTYVCLJURJV-QWRGUYRKSA-N 1 3 234.334 2.481 20 0 BEADHO COCC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000718669126 712776729 /nfs/dbraw/zinc/77/67/29/712776729.db2.gz YWBVHJRVHODQQG-QWHCGFSZSA-N 1 3 242.407 2.156 20 0 BEADHO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000721169347 712894185 /nfs/dbraw/zinc/89/41/85/712894185.db2.gz VUBCFCHTTMXQQO-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CSCCCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000300904948 1166361099 /nfs/dbraw/zinc/36/10/99/1166361099.db2.gz WLORGGYHVGFJGT-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO C[C@@H]1[C@H](C)OCCN1CCCCCCC[NH3+] ZINC000380492807 712901457 /nfs/dbraw/zinc/90/14/57/712901457.db2.gz AYTFQNFSUKSUIY-OLZOCXBDSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@H]1CCSCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000385583961 711014309 /nfs/dbraw/zinc/01/43/09/711014309.db2.gz XYKQVEMFCLBLRE-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CCSCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000385583961 711014312 /nfs/dbraw/zinc/01/43/12/711014312.db2.gz XYKQVEMFCLBLRE-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CCSCCN1C[C@]1(C)CCC[NH2+]C1 ZINC000385583961 711014315 /nfs/dbraw/zinc/01/43/15/711014315.db2.gz XYKQVEMFCLBLRE-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H](NCCC1CCC1)[C@H]1CCCC[NH2+]1 ZINC000386139955 711023710 /nfs/dbraw/zinc/02/37/10/711023710.db2.gz QGBISVJWMRZENV-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CN(CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000390067678 711104162 /nfs/dbraw/zinc/10/41/62/711104162.db2.gz DIHZGKAVIFLIAG-UWVGGRQHSA-N 1 3 220.307 2.091 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)CN1CCCCC1 ZINC000390459367 711118769 /nfs/dbraw/zinc/11/87/69/711118769.db2.gz BLSZFNDEDZPRQJ-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1CC[N@H+](CCCC2CC2)C[C@H]1CN ZINC000394668600 711196228 /nfs/dbraw/zinc/19/62/28/711196228.db2.gz RAZGDHCSDURKLG-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CCCC2CC2)C[C@H]1CN ZINC000394668600 711196231 /nfs/dbraw/zinc/19/62/31/711196231.db2.gz RAZGDHCSDURKLG-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396570677 711354373 /nfs/dbraw/zinc/35/43/73/711354373.db2.gz LESJISNXQSHQNP-WRWGMCAJSA-N 1 3 228.405 2.001 20 0 BEADHO CC[C@@]1(C)CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000399452877 711431124 /nfs/dbraw/zinc/43/11/24/711431124.db2.gz IVVJIJRYMFYLDA-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@]1(C)CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000399452877 711431126 /nfs/dbraw/zinc/43/11/26/711431126.db2.gz IVVJIJRYMFYLDA-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@]1(C)CCN(CCC[NH2+]C2CC2)C1 ZINC000399386475 711429037 /nfs/dbraw/zinc/42/90/37/711429037.db2.gz RJOVBKCXQDLUER-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@]1(C)CC[N@H+](CCCNC2CC2)C1 ZINC000399386475 711429041 /nfs/dbraw/zinc/42/90/41/711429041.db2.gz RJOVBKCXQDLUER-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@]1(C)CC[N@@H+](CCCNC2CC2)C1 ZINC000399386475 711429043 /nfs/dbraw/zinc/42/90/43/711429043.db2.gz RJOVBKCXQDLUER-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO [NH3+]C1CC(NCc2cccc3ccccc32)C1 ZINC000133276119 710969402 /nfs/dbraw/zinc/96/94/02/710969402.db2.gz CJHPESILQXIRFR-UHFFFAOYSA-N 1 3 226.323 2.419 20 0 BEADHO C=C/C=C/CC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000713735229 711494275 /nfs/dbraw/zinc/49/42/75/711494275.db2.gz NIMNBNQVYKRJBF-WWKJKZQJSA-N 1 3 208.349 2.035 20 0 BEADHO C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000713735229 711494277 /nfs/dbraw/zinc/49/42/77/711494277.db2.gz NIMNBNQVYKRJBF-WWKJKZQJSA-N 1 3 208.349 2.035 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724203847 711569490 /nfs/dbraw/zinc/56/94/90/711569490.db2.gz VWZFYEKQMDPKCQ-ZIAGYGMSSA-N 1 3 222.376 2.450 20 0 BEADHO CC(F)(F)CCC[N@@H+]1CCCC[C@@H]1CN ZINC000718573134 711661022 /nfs/dbraw/zinc/66/10/22/711661022.db2.gz VOTAIFGBKGPDPK-SNVBAGLBSA-N 1 3 220.307 2.235 20 0 BEADHO CC(F)(F)CCC[N@H+]1CCCC[C@@H]1CN ZINC000718573134 711661024 /nfs/dbraw/zinc/66/10/24/711661024.db2.gz VOTAIFGBKGPDPK-SNVBAGLBSA-N 1 3 220.307 2.235 20 0 BEADHO CCC1(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000383102743 711668101 /nfs/dbraw/zinc/66/81/01/711668101.db2.gz CFQFWTULDQOANB-QSLWVIQJSA-N 1 3 234.387 2.153 20 0 BEADHO CC[NH+]1CCC(NC[C@@H](C)C(F)(F)F)CC1 ZINC000309473272 711698539 /nfs/dbraw/zinc/69/85/39/711698539.db2.gz RDLAQNWFCACMRT-SECBINFHSA-N 1 3 238.297 2.259 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCC(F)(F)F ZINC000396615732 711702775 /nfs/dbraw/zinc/70/27/75/711702775.db2.gz GEPNKVHGGKTQNG-IUCAKERBSA-N 1 3 224.270 2.059 20 0 BEADHO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216509 711937778 /nfs/dbraw/zinc/93/77/78/711937778.db2.gz PYJSRPWPNRDONH-AVGNSLFASA-N 1 3 220.360 2.049 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]CC[C@@H](C)N(C)C ZINC000700456705 711995868 /nfs/dbraw/zinc/99/58/68/711995868.db2.gz WVQKSVYDLCIKBS-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)N(C)C ZINC000700604724 712001199 /nfs/dbraw/zinc/00/11/99/712001199.db2.gz DSSNQQFXIJRZNK-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)(C)CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702052939 712037336 /nfs/dbraw/zinc/03/73/36/712037336.db2.gz DFPPMSMKFAOFBE-GXTWGEPZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](NCC[C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000704777803 712116086 /nfs/dbraw/zinc/11/60/86/712116086.db2.gz VKZNJWIWFXPVHS-YNEHKIRRSA-N 1 3 242.432 2.250 20 0 BEADHO CCC[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)OCC ZINC000705378631 712129820 /nfs/dbraw/zinc/12/98/20/712129820.db2.gz YTUHMTNIGDNSSE-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)OCC ZINC000705378631 712129822 /nfs/dbraw/zinc/12/98/22/712129822.db2.gz YTUHMTNIGDNSSE-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@]1(C[NH2+][C@@H]2CCCC23CC3)CCCNC1 ZINC000706589393 712150558 /nfs/dbraw/zinc/15/05/58/712150558.db2.gz OOCFSCHMIVIETA-CHWSQXEVSA-N 1 3 222.376 2.298 20 0 BEADHO CC[NH+](CC)CCCNC1CC(SC)C1 ZINC000706916473 712158260 /nfs/dbraw/zinc/15/82/60/712158260.db2.gz HNOAZJCGIQVNRL-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+]C1CC(SC)C1 ZINC000706916473 712158261 /nfs/dbraw/zinc/15/82/61/712158261.db2.gz HNOAZJCGIQVNRL-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](Cc1ccco1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709460895 712222255 /nfs/dbraw/zinc/22/22/55/712222255.db2.gz PPYXNLBLZKIZGU-FKJOKYEKSA-N 1 3 234.343 2.083 20 0 BEADHO CCCCCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796934 712227250 /nfs/dbraw/zinc/22/72/50/712227250.db2.gz ZVYWWTYZEJTZFG-NXEZZACHSA-N 1 3 238.297 2.246 20 0 BEADHO C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)C1CCC1 ZINC000709893427 712231165 /nfs/dbraw/zinc/23/11/65/712231165.db2.gz SNAKBFLABMTVCG-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO C(C[N@H+]1CC[C@@]2(C1)CCCNC2)C1CCC1 ZINC000709893427 712231167 /nfs/dbraw/zinc/23/11/67/712231167.db2.gz SNAKBFLABMTVCG-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO FC[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000711440736 712300813 /nfs/dbraw/zinc/30/08/13/712300813.db2.gz FCTQBAYWJPTYNG-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C=CCC1 ZINC000711670428 712315990 /nfs/dbraw/zinc/31/59/90/712315990.db2.gz VGTOVEJDAHSAHF-AGIUHOORSA-N 1 3 208.349 2.060 20 0 BEADHO Cc1cc(NC[C@@H]2CCN2C)c2ccccc2[nH+]1 ZINC000712525125 712440896 /nfs/dbraw/zinc/44/08/96/712440896.db2.gz BKDBYXIFBPXPKK-LBPRGKRZSA-N 1 3 241.338 2.081 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712751322 712449484 /nfs/dbraw/zinc/44/94/84/712449484.db2.gz RYJIZSMDSREMEA-YIYPIFLZSA-N 1 3 222.376 2.140 20 0 BEADHO C=C/C=C\CCN1CCC[C@H](C[NH2+]C)C1 ZINC000713737163 712470411 /nfs/dbraw/zinc/47/04/11/712470411.db2.gz ZSNTWEOBNXZUKP-DSYXLKISSA-N 1 3 208.349 2.050 20 0 BEADHO CC1(C)C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1N ZINC000714351301 712483167 /nfs/dbraw/zinc/48/31/67/712483167.db2.gz YRIDXYSOIDXIMO-NWDGAFQWSA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@H]1N ZINC000714351301 712483169 /nfs/dbraw/zinc/48/31/69/712483169.db2.gz YRIDXYSOIDXIMO-NWDGAFQWSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000388720997 712501879 /nfs/dbraw/zinc/50/18/79/712501879.db2.gz SKFSSVMVISYWEO-SRGUQECISA-N 1 3 234.387 2.151 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)NCc1cc[nH]n1 ZINC000036900038 712513498 /nfs/dbraw/zinc/51/34/98/712513498.db2.gz AEBLOLAIKFKZGV-LBPRGKRZSA-N 1 3 238.379 2.010 20 0 BEADHO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715541799 712526605 /nfs/dbraw/zinc/52/66/05/712526605.db2.gz IOXRAMOWKZHGJM-ZOBORPQBSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CO1 ZINC000715560759 712528972 /nfs/dbraw/zinc/52/89/72/712528972.db2.gz DSWDTWUOPPHTQA-XJFOESAGSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CO1 ZINC000715560759 712528973 /nfs/dbraw/zinc/52/89/73/712528973.db2.gz DSWDTWUOPPHTQA-XJFOESAGSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](C[NH2+]CC1CC1)CN1CCCCC1 ZINC000038041989 712801128 /nfs/dbraw/zinc/80/11/28/712801128.db2.gz MEKDJBVVIVXABN-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CSC1CCC(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000720536169 712849715 /nfs/dbraw/zinc/84/97/15/712849715.db2.gz JGGWKQOPLDMFMV-XSRFYTQQSA-N 1 3 242.432 2.106 20 0 BEADHO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000721169345 712894149 /nfs/dbraw/zinc/89/41/49/712894149.db2.gz VUBCFCHTTMXQQO-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CCC(CC)C[N@@H+]1CCCC[C@H](CN)C1 ZINC000308846793 959522932 /nfs/dbraw/zinc/52/29/32/959522932.db2.gz LPOARYKWNJFOKF-CYBMUJFWSA-N 1 3 212.381 2.483 20 0 BEADHO CCC(CC)C[N@H+]1CCCC[C@H](CN)C1 ZINC000308846793 959522946 /nfs/dbraw/zinc/52/29/46/959522946.db2.gz LPOARYKWNJFOKF-CYBMUJFWSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H](CN1CCC[C@@](C)([NH3+])CC1)C(F)(F)F ZINC001205255005 967447798 /nfs/dbraw/zinc/44/77/98/967447798.db2.gz DORUXEYVZNXBLV-NXEZZACHSA-N 1 3 238.297 2.388 20 0 BEADHO Cc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC000075144793 1165997636 /nfs/dbraw/zinc/99/76/36/1165997636.db2.gz MVRXJEUNAKMTQN-CQSZACIVSA-N 1 3 218.344 2.308 20 0 BEADHO CC1(C)CC[C@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC000129509605 1166197934 /nfs/dbraw/zinc/19/79/34/1166197934.db2.gz VGMOPPOWLYQCAH-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@@H](CF)N(C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208609194 969164556 /nfs/dbraw/zinc/16/45/56/969164556.db2.gz YWZHLBHPEHURGK-AVGNSLFASA-N 1 3 228.355 2.008 20 0 BEADHO C[C@H]1C[C@@H](CF)N(C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208609194 969164563 /nfs/dbraw/zinc/16/45/63/969164563.db2.gz YWZHLBHPEHURGK-AVGNSLFASA-N 1 3 228.355 2.008 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[N@H+](C)CCCN ZINC000227744755 1166308823 /nfs/dbraw/zinc/30/88/23/1166308823.db2.gz NYICZAMSKZTNLI-VXGBXAGGSA-N 1 3 200.370 2.482 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[N@@H+](C)CCCN ZINC000227744755 1166308828 /nfs/dbraw/zinc/30/88/28/1166308828.db2.gz NYICZAMSKZTNLI-VXGBXAGGSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)(C)CC[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299893854 1166326370 /nfs/dbraw/zinc/32/63/70/1166326370.db2.gz PQWKLFZYNVQFFC-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)(C)CC[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299893854 1166326376 /nfs/dbraw/zinc/32/63/76/1166326376.db2.gz PQWKLFZYNVQFFC-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218027900 1166512493 /nfs/dbraw/zinc/51/24/93/1166512493.db2.gz BHIJZWQXCLRKKY-SMDDNHRTSA-N 1 3 246.354 2.057 20 0 BEADHO CC[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC000252968677 1166774183 /nfs/dbraw/zinc/77/41/83/1166774183.db2.gz YSHLPAJQSFDQCS-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC000252968677 1166774189 /nfs/dbraw/zinc/77/41/89/1166774189.db2.gz YSHLPAJQSFDQCS-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCCC1=O ZINC001255948338 970562384 /nfs/dbraw/zinc/56/23/84/970562384.db2.gz JWYGIZMCIWPBEA-STQMWFEESA-N 1 3 240.391 2.208 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCCSC ZINC001255942087 970565876 /nfs/dbraw/zinc/56/58/76/970565876.db2.gz DFGYABGJJJNZAC-LBPRGKRZSA-N 1 3 232.437 2.450 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC001255941001 970572549 /nfs/dbraw/zinc/57/25/49/970572549.db2.gz LDMKNHPDPUEEAM-MJBXVCDLSA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC001255951293 970581984 /nfs/dbraw/zinc/58/19/84/970581984.db2.gz HULWTIFJULXMSK-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCCC1=O ZINC001255948335 970584012 /nfs/dbraw/zinc/58/40/12/970584012.db2.gz JWYGIZMCIWPBEA-CHWSQXEVSA-N 1 3 240.391 2.208 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC001255955345 970586644 /nfs/dbraw/zinc/58/66/44/970586644.db2.gz RFQMRUAWWQVZQV-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@]1(C)CCCOC1 ZINC001255955345 970586655 /nfs/dbraw/zinc/58/66/55/970586655.db2.gz RFQMRUAWWQVZQV-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H]1C1CC1 ZINC001255954454 970588158 /nfs/dbraw/zinc/58/81/58/970588158.db2.gz DSRGRQFTQFCXJE-IACUBPJLSA-N 1 3 224.392 2.495 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](C)CC1CC1 ZINC001255954871 970589344 /nfs/dbraw/zinc/58/93/44/970589344.db2.gz JQAAFGCBOVZXRG-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](C)CC1CC1 ZINC001255954871 970589351 /nfs/dbraw/zinc/58/93/51/970589351.db2.gz JQAAFGCBOVZXRG-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@H+](C)[C@H](C)CCN(CC)CC ZINC001255955460 970591454 /nfs/dbraw/zinc/59/14/54/970591454.db2.gz UMHBMVILJJPYNZ-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCC[N@@H+](C)[C@H](C)CCN(CC)CC ZINC001255955460 970591468 /nfs/dbraw/zinc/59/14/68/970591468.db2.gz UMHBMVILJJPYNZ-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@H](COC)C1 ZINC001255957067 970592750 /nfs/dbraw/zinc/59/27/50/970592750.db2.gz OQVBVLZDVBZQJB-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@H](COC)C1 ZINC001255957067 970592758 /nfs/dbraw/zinc/59/27/58/970592758.db2.gz OQVBVLZDVBZQJB-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N1CC[C@H](COC)C1 ZINC001255957067 970592773 /nfs/dbraw/zinc/59/27/73/970592773.db2.gz OQVBVLZDVBZQJB-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H]1CC[C@@H]([N@@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428693 1166917144 /nfs/dbraw/zinc/91/71/44/1166917144.db2.gz SDZDPUKCZQAGQD-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1CC[C@@H]([N@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428693 1166917151 /nfs/dbraw/zinc/91/71/51/1166917151.db2.gz SDZDPUKCZQAGQD-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CCSCCN[C@@H](C)CC[NH+](CC)CC ZINC000309046741 1167243525 /nfs/dbraw/zinc/24/35/25/1167243525.db2.gz PBFYHYUYNGIHPN-LBPRGKRZSA-N 1 3 232.437 2.450 20 0 BEADHO CCSCC[NH2+][C@@H](C)CCN(CC)CC ZINC000309046741 1167243533 /nfs/dbraw/zinc/24/35/33/1167243533.db2.gz PBFYHYUYNGIHPN-LBPRGKRZSA-N 1 3 232.437 2.450 20 0 BEADHO C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)CN ZINC000309322879 1167290479 /nfs/dbraw/zinc/29/04/79/1167290479.db2.gz HKZYHKIQAJSOCM-WDEREUQCSA-N 1 3 240.778 2.455 20 0 BEADHO c1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC000148926830 1167347398 /nfs/dbraw/zinc/34/73/98/1167347398.db2.gz BZRWKYFROYIHJZ-UHFFFAOYSA-N 1 3 239.322 2.158 20 0 BEADHO Cc1cccc(CCN2CCC[C@H]([NH3+])CC2)c1 ZINC000215829012 1167481207 /nfs/dbraw/zinc/48/12/07/1167481207.db2.gz BEQMOPCUNZJNDH-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO CC[C@H](C)[C@@H](CNC[C@@]1(C)CCC[NH2+]C1)OC ZINC000381381339 1167547879 /nfs/dbraw/zinc/54/78/79/1167547879.db2.gz LNRPYBLMNRXGIA-MJBXVCDLSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H](CC[NH2+]C[C@]1(C)CCCS1)N(C)C ZINC000697886544 1167554432 /nfs/dbraw/zinc/55/44/32/1167554432.db2.gz IAPDAYUWPUOLLJ-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO Cc1ccsc1C[NH2+]CC[C@@H](C)N(C)C ZINC000697888961 1167557382 /nfs/dbraw/zinc/55/73/82/1167557382.db2.gz JXVPATZDHHQHOJ-LLVKDONJSA-N 1 3 226.389 2.486 20 0 BEADHO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H]1CCCNC1 ZINC000252088983 1167588378 /nfs/dbraw/zinc/58/83/78/1167588378.db2.gz DHFGMHRDZVJKGO-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H]1CCCNC1 ZINC000252088983 1167588383 /nfs/dbraw/zinc/58/83/83/1167588383.db2.gz DHFGMHRDZVJKGO-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235172293 978990248 /nfs/dbraw/zinc/99/02/48/978990248.db2.gz LEHGQRBFQRMRSP-ZDUSSCGKSA-N 1 3 210.365 2.395 20 0 BEADHO CC/C=C\CCCCC[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235284074 979016844 /nfs/dbraw/zinc/01/68/44/979016844.db2.gz TVDSNXMOPJLDKU-MAUVLDTNSA-N 1 3 222.376 2.402 20 0 BEADHO CC/C=C\CCCCC[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235284074 979016851 /nfs/dbraw/zinc/01/68/51/979016851.db2.gz TVDSNXMOPJLDKU-MAUVLDTNSA-N 1 3 222.376 2.402 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829286 979152457 /nfs/dbraw/zinc/15/24/57/979152457.db2.gz POXMSQAFALKAFC-MGPQQGTHSA-N 1 3 222.376 2.273 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829286 979152464 /nfs/dbraw/zinc/15/24/64/979152464.db2.gz POXMSQAFALKAFC-MGPQQGTHSA-N 1 3 222.376 2.273 20 0 BEADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235960500 979229029 /nfs/dbraw/zinc/22/90/29/979229029.db2.gz XVEDRQLTLXDARB-CLLJXQQHSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H](N)C[N@H+](C)CCCc1ccccc1 ZINC001236861165 979763805 /nfs/dbraw/zinc/76/38/05/979763805.db2.gz USDFQGOQHFRWGJ-AWEZNQCLSA-N 1 3 220.360 2.288 20 0 BEADHO CC[C@H](N)C[N@@H+](C)CCCc1ccccc1 ZINC001236861165 979763809 /nfs/dbraw/zinc/76/38/09/979763809.db2.gz USDFQGOQHFRWGJ-AWEZNQCLSA-N 1 3 220.360 2.288 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCCCC[C@@H]2C)CCN1 ZINC000229548208 1168359725 /nfs/dbraw/zinc/35/97/25/1168359725.db2.gz PWCBBFFZNBJJBI-FRRDWIJNSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCCCC[C@@H]2C)CCN1 ZINC000229548208 1168359730 /nfs/dbraw/zinc/35/97/30/1168359730.db2.gz PWCBBFFZNBJJBI-FRRDWIJNSA-N 1 3 210.365 2.391 20 0 BEADHO Cc1cc2[nH]ccc2c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC001158180705 1168545266 /nfs/dbraw/zinc/54/52/66/1168545266.db2.gz YNJQYQFTSNXTIU-GHMZBOCLSA-N 1 3 244.342 2.058 20 0 BEADHO CC(C)(C)CN1CCC([NH+]2CCC2)CC1 ZINC001201446280 983247813 /nfs/dbraw/zinc/24/78/13/983247813.db2.gz BENLFXJJQXOFMC-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CCCN1C[C@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC001202189991 983595723 /nfs/dbraw/zinc/59/57/23/983595723.db2.gz ITCUICMXDQUHHD-GJZGRUSLSA-N 1 3 236.403 2.450 20 0 BEADHO CC(C)CC[C@H](O)CNCCC[N@H+](C)C(C)C ZINC001356569831 983631299 /nfs/dbraw/zinc/63/12/99/983631299.db2.gz QAIYWEGUIGZRRC-AWEZNQCLSA-N 1 3 244.423 2.103 20 0 BEADHO CC(C)CC[C@H](O)CNCCC[N@@H+](C)C(C)C ZINC001356569831 983631303 /nfs/dbraw/zinc/63/13/03/983631303.db2.gz QAIYWEGUIGZRRC-AWEZNQCLSA-N 1 3 244.423 2.103 20 0 BEADHO CC(C)CC[NH2+]C[C@H](C)CN1CCCC1 ZINC000057994437 1169155301 /nfs/dbraw/zinc/15/53/01/1169155301.db2.gz NBSOSRXATHGLNU-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CC[NH2+]C[C@@H](C)CN1CCCC1 ZINC000057994434 1169155324 /nfs/dbraw/zinc/15/53/24/1169155324.db2.gz NBSOSRXATHGLNU-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)CCOCC(C)C ZINC001172458276 974824587 /nfs/dbraw/zinc/82/45/87/974824587.db2.gz XOCGIRPIKSRLGD-AWEZNQCLSA-N 1 3 244.423 2.498 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)CCOCC(C)C ZINC001172458276 974824590 /nfs/dbraw/zinc/82/45/90/974824590.db2.gz XOCGIRPIKSRLGD-AWEZNQCLSA-N 1 3 244.423 2.498 20 0 BEADHO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001246589576 972986538 /nfs/dbraw/zinc/98/65/38/972986538.db2.gz SSIDMUYCUBALBU-HRDYMLBCSA-N 1 3 242.260 2.089 20 0 BEADHO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001246589576 972986561 /nfs/dbraw/zinc/98/65/61/972986561.db2.gz SSIDMUYCUBALBU-HRDYMLBCSA-N 1 3 242.260 2.089 20 0 BEADHO C[C@H]1C[C@@H](CF)N(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256623426 970886987 /nfs/dbraw/zinc/88/69/87/970886987.db2.gz PVGIPDVGGSAIIV-MWWBDVBNSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@H]1C[C@@H](CF)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256623426 970886991 /nfs/dbraw/zinc/88/69/91/970886991.db2.gz PVGIPDVGGSAIIV-MWWBDVBNSA-N 1 3 240.366 2.292 20 0 BEADHO CC(C)N(Cc1cccnc1)C1CC[NH+](C)CC1 ZINC001204078208 1169472486 /nfs/dbraw/zinc/47/24/86/1169472486.db2.gz RPJCPNITNUUPAK-UHFFFAOYSA-N 1 3 247.386 2.386 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)Cc1ccncc1 ZINC001256717037 970933916 /nfs/dbraw/zinc/93/39/16/970933916.db2.gz XZJBGPXJWBWOEL-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)Cc1ccncc1 ZINC001256717037 970933925 /nfs/dbraw/zinc/93/39/25/970933925.db2.gz XZJBGPXJWBWOEL-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1cccs1 ZINC000404842977 971185844 /nfs/dbraw/zinc/18/58/44/971185844.db2.gz CHPDXWHVAMUQDX-QWRGUYRKSA-N 1 3 224.373 2.006 20 0 BEADHO CCCN1C[C@@H]2C[NH+](C(CC)CC)C[C@H]2C1 ZINC001257302589 971192744 /nfs/dbraw/zinc/19/27/44/971192744.db2.gz ZSESQKANHAGKEE-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](C(CC)CC)C[C@@H]2C1 ZINC001257302588 971193947 /nfs/dbraw/zinc/19/39/47/971193947.db2.gz ZSESQKANHAGKEE-BETUJISGSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](C(CC)CC)C[C@@H]2C1 ZINC001257302588 971193952 /nfs/dbraw/zinc/19/39/52/971193952.db2.gz ZSESQKANHAGKEE-BETUJISGSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405209861 971205295 /nfs/dbraw/zinc/20/52/95/971205295.db2.gz CCOAXHPZXYYHES-NWDGAFQWSA-N 1 3 242.432 2.235 20 0 BEADHO CC(C)CSCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405209861 971205306 /nfs/dbraw/zinc/20/53/06/971205306.db2.gz CCOAXHPZXYYHES-NWDGAFQWSA-N 1 3 242.432 2.235 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC2Cc3ccccc3C2)C12CCC2 ZINC000405238170 971217185 /nfs/dbraw/zinc/21/71/85/971217185.db2.gz GFEBWCCTDGOVFR-HUUCEWRRSA-N 1 3 242.366 2.013 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCCc2cccs2)C12CCC2 ZINC000405261662 971227225 /nfs/dbraw/zinc/22/72/25/971227225.db2.gz NLNSWSUMSVFBSK-VXGBXAGGSA-N 1 3 236.384 2.150 20 0 BEADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CC23CCCC3)C12CCC2 ZINC000405302372 971230932 /nfs/dbraw/zinc/23/09/32/971230932.db2.gz JERNBFITEPTBLP-GRYCIOLGSA-N 1 3 220.360 2.179 20 0 BEADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CC23CCCC3)C12CCC2 ZINC000405302375 971232137 /nfs/dbraw/zinc/23/21/37/971232137.db2.gz JERNBFITEPTBLP-UTUOFQBUSA-N 1 3 220.360 2.179 20 0 BEADHO CC[C@@H](C)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001257446902 971363831 /nfs/dbraw/zinc/36/38/31/971363831.db2.gz SFNSDYVVLWBOLX-LLVKDONJSA-N 1 3 210.365 2.344 20 0 BEADHO CCC[N@H+](CCCN)C1CCC2(COC2)CC1 ZINC001257896399 971531274 /nfs/dbraw/zinc/53/12/74/971531274.db2.gz OQTOFMURKDMSTR-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO CCC[N@@H+](CCCN)C1CCC2(COC2)CC1 ZINC001257896399 971531278 /nfs/dbraw/zinc/53/12/78/971531278.db2.gz OQTOFMURKDMSTR-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO C[NH2+][C@H]1CC[C@H](Oc2cccc3c2CNC3)CC1 ZINC001218189565 971624137 /nfs/dbraw/zinc/62/41/37/971624137.db2.gz ZBMZLNIXSXDLCA-JOCQHMNTSA-N 1 3 246.354 2.199 20 0 BEADHO CC[N@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232143846 1169681991 /nfs/dbraw/zinc/68/19/91/1169681991.db2.gz IFYBXWXLPUGPLI-UHFFFAOYSA-N 1 3 224.323 2.339 20 0 BEADHO CC[N@@H+](C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232143846 1169682000 /nfs/dbraw/zinc/68/20/00/1169682000.db2.gz IFYBXWXLPUGPLI-UHFFFAOYSA-N 1 3 224.323 2.339 20 0 BEADHO C[NH+](C)Cc1cc(F)cc(CN2CCCC2)c1 ZINC001232145292 1169682312 /nfs/dbraw/zinc/68/23/12/1169682312.db2.gz NRDNCPQAXXSPDP-UHFFFAOYSA-N 1 3 236.334 2.483 20 0 BEADHO CN(C)Cc1cc(F)cc(C[NH+]2CCCC2)c1 ZINC001232145292 1169682316 /nfs/dbraw/zinc/68/23/16/1169682316.db2.gz NRDNCPQAXXSPDP-UHFFFAOYSA-N 1 3 236.334 2.483 20 0 BEADHO C[NH+](C)Cc1cc(F)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001232144002 1169682707 /nfs/dbraw/zinc/68/27/07/1169682707.db2.gz FZAZLUHVRJREEK-OKILXGFUSA-N 1 3 248.345 2.339 20 0 BEADHO CC(C)CC[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000190775215 972056573 /nfs/dbraw/zinc/05/65/73/972056573.db2.gz BTMBUTNOBRIAGZ-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CCCCc1cccc(N[C@H](N)CCC[NH3+])c1 ZINC001170902498 972078694 /nfs/dbraw/zinc/07/86/94/972078694.db2.gz DTCPWNFPVXVUTL-AWEZNQCLSA-N 1 3 235.375 2.465 20 0 BEADHO N[C@@H](CCC[NH3+])Nc1cccc(C2CCC2)c1 ZINC001170905082 972079750 /nfs/dbraw/zinc/07/97/50/972079750.db2.gz RDTQLGRVVKRWHZ-CQSZACIVSA-N 1 3 233.359 2.390 20 0 BEADHO CC(C)(C[NH3+])N[C@@H]1CCc2cccc(F)c2C1 ZINC001170950792 972139767 /nfs/dbraw/zinc/13/97/67/972139767.db2.gz UGGGEEHQKQIRDV-LLVKDONJSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CC(C)(C)C1 ZINC001246190715 972211542 /nfs/dbraw/zinc/21/15/42/972211542.db2.gz RRESNSRJXWDVKA-NNYUYHANSA-N 1 3 210.365 2.281 20 0 BEADHO Cc1nc(NC[C@@H]2CCCC[NH2+]2)cc2[nH]ccc21 ZINC001160151269 972219338 /nfs/dbraw/zinc/21/93/38/972219338.db2.gz SJSPYFODNDKMMT-NSHDSACASA-N 1 3 244.342 2.425 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C)C2)C[C@H]1F ZINC001208605981 957093949 /nfs/dbraw/zinc/09/39/49/957093949.db2.gz CSULTTNCSCBLHU-JHJVBQTASA-N 1 3 228.355 2.008 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C)C2)C[C@H]1F ZINC001208605981 957093959 /nfs/dbraw/zinc/09/39/59/957093959.db2.gz CSULTTNCSCBLHU-JHJVBQTASA-N 1 3 228.355 2.008 20 0 BEADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@H](C(F)F)C2)C1 ZINC001208612796 957097508 /nfs/dbraw/zinc/09/75/08/957097508.db2.gz NZDJGQOJYFIZRE-VXGBXAGGSA-N 1 3 246.345 2.305 20 0 BEADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@H](C(F)F)C2)C1 ZINC001208612796 957097515 /nfs/dbraw/zinc/09/75/15/957097515.db2.gz NZDJGQOJYFIZRE-VXGBXAGGSA-N 1 3 246.345 2.305 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2cccc(F)c2C1 ZINC001246313171 972272467 /nfs/dbraw/zinc/27/24/67/972272467.db2.gz JELPRQPPPPJQMM-VXGBXAGGSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCCNC1 ZINC000252219970 957602303 /nfs/dbraw/zinc/60/23/03/957602303.db2.gz YTQFOZSUKFBQCQ-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO CCCCC[C@H](CC)[NH2+][C@@H]1CC12CNC2 ZINC001246441930 972313083 /nfs/dbraw/zinc/31/30/83/972313083.db2.gz ATXQZUFWQQCWSQ-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc(C[NH+]2CCC3(CN(C)C3)CC2)oc1C ZINC001204540524 958029612 /nfs/dbraw/zinc/02/96/12/958029612.db2.gz YLCDYNNDQCAQEZ-UHFFFAOYSA-N 1 3 248.370 2.424 20 0 BEADHO Cc1cc(CN2CCC3(C[NH+](C)C3)CC2)oc1C ZINC001204540524 958029618 /nfs/dbraw/zinc/02/96/18/958029618.db2.gz YLCDYNNDQCAQEZ-UHFFFAOYSA-N 1 3 248.370 2.424 20 0 BEADHO CCc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23CNC3)cc1 ZINC001246443975 972316198 /nfs/dbraw/zinc/31/61/98/972316198.db2.gz IWHVKVCLKTWVFH-IUODEOHRSA-N 1 3 244.382 2.132 20 0 BEADHO CC[C@]1([NH2+][C@H]2CCC[C@@H](C)C2)CCNC1 ZINC001246461870 972336426 /nfs/dbraw/zinc/33/64/26/972336426.db2.gz QHBGXPVPTHBTDF-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@]1([NH2+][C@H]2CCC[C@H](C)C2)CCNC1 ZINC001246461876 972337910 /nfs/dbraw/zinc/33/79/10/972337910.db2.gz QHBGXPVPTHBTDF-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]1CC[C@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246466026 972341377 /nfs/dbraw/zinc/34/13/77/972341377.db2.gz KEHXUSNSDMBCCS-RWMBFGLXSA-N 1 3 210.365 2.297 20 0 BEADHO CCOC(C)(C)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237548 972413210 /nfs/dbraw/zinc/41/32/10/972413210.db2.gz MORCLMZKLURTQM-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CCOC(C)(C)C[N@H+]1CCC[C@]12CCCNC2 ZINC001222237548 972413217 /nfs/dbraw/zinc/41/32/17/972413217.db2.gz MORCLMZKLURTQM-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222231893 972416554 /nfs/dbraw/zinc/41/65/54/972416554.db2.gz QJNLKQFBMNSXBZ-ZJIFWQFVSA-N 1 3 246.398 2.417 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222231893 972416563 /nfs/dbraw/zinc/41/65/63/972416563.db2.gz QJNLKQFBMNSXBZ-ZJIFWQFVSA-N 1 3 246.398 2.417 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222231887 972417350 /nfs/dbraw/zinc/41/73/50/972417350.db2.gz QJNLKQFBMNSXBZ-FZKCQIBNSA-N 1 3 246.398 2.417 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@]12CCCNC2 ZINC001222231887 972417354 /nfs/dbraw/zinc/41/73/54/972417354.db2.gz QJNLKQFBMNSXBZ-FZKCQIBNSA-N 1 3 246.398 2.417 20 0 BEADHO CCCC[C@H](CC)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708862457 959985842 /nfs/dbraw/zinc/98/58/42/959985842.db2.gz GYOWGEYBKJEKBX-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CCCC[C@H](CC)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708862457 959985849 /nfs/dbraw/zinc/98/58/49/959985849.db2.gz GYOWGEYBKJEKBX-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1(Cl)CC1 ZINC000695648048 960322447 /nfs/dbraw/zinc/32/24/47/960322447.db2.gz LLFLZXYGKFNQBW-WAAKLRNESA-N 1 3 242.794 2.361 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1(Cl)CC1 ZINC000695648048 960322464 /nfs/dbraw/zinc/32/24/64/960322464.db2.gz LLFLZXYGKFNQBW-WAAKLRNESA-N 1 3 242.794 2.361 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695765018 960445794 /nfs/dbraw/zinc/44/57/94/960445794.db2.gz SJMJIVGBCPSFMD-RWMBFGLXSA-N 1 3 222.376 2.426 20 0 BEADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccccn1 ZINC000692744334 960563767 /nfs/dbraw/zinc/56/37/67/960563767.db2.gz GBJVNHFLEWBTOZ-KWCYVHTRSA-N 1 3 245.370 2.045 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451162 960612638 /nfs/dbraw/zinc/61/26/38/960612638.db2.gz WRKZAKOIWTZMSD-VXGBXAGGSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451162 960612649 /nfs/dbraw/zinc/61/26/49/960612649.db2.gz WRKZAKOIWTZMSD-VXGBXAGGSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451160 960615064 /nfs/dbraw/zinc/61/50/64/960615064.db2.gz WRKZAKOIWTZMSD-RYUDHWBXSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451160 960615077 /nfs/dbraw/zinc/61/50/77/960615077.db2.gz WRKZAKOIWTZMSD-RYUDHWBXSA-N 1 3 208.349 2.003 20 0 BEADHO CCCCN(C)CCC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167899412 961539239 /nfs/dbraw/zinc/53/92/39/961539239.db2.gz ZVDABTCHFSKJQV-WDNDVIMCSA-N 1 3 224.392 2.497 20 0 BEADHO CCCCN(C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168075751 963615378 /nfs/dbraw/zinc/61/53/78/963615378.db2.gz QNFXQWAFPUFXMK-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc2[nH]ccc21 ZINC001158178400 963820318 /nfs/dbraw/zinc/82/03/18/963820318.db2.gz PUTJGHOZAQVUSL-NXEZZACHSA-N 1 3 244.342 2.058 20 0 BEADHO C[C@H](CC1CC1)[NH2+]CC[C@H]1CCCN1C ZINC000822123672 963939991 /nfs/dbraw/zinc/93/99/91/963939991.db2.gz ABJLJEBALCUXQJ-DGCLKSJQSA-N 1 3 210.365 2.249 20 0 BEADHO CC1CCC([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001168211394 963989256 /nfs/dbraw/zinc/98/92/56/963989256.db2.gz DERTYXGVEFYKMN-FUUBYGMNSA-N 1 3 236.403 2.449 20 0 BEADHO CC1CCC([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CC1 ZINC001168211394 963989261 /nfs/dbraw/zinc/98/92/61/963989261.db2.gz DERTYXGVEFYKMN-FUUBYGMNSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](CC[NH2+]C[C@H]1CC=CCC1)N(C)C ZINC000697877837 964602381 /nfs/dbraw/zinc/60/23/81/964602381.db2.gz FPBGTFPLRADVLR-STQMWFEESA-N 1 3 210.365 2.273 20 0 BEADHO Cc1ccc(C[NH2+]CC[C@@H](C)N(C)C)s1 ZINC000697888179 964635475 /nfs/dbraw/zinc/63/54/75/964635475.db2.gz IJCLOTLHQGGONU-SNVBAGLBSA-N 1 3 226.389 2.486 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1cscn1 ZINC000697905353 964674238 /nfs/dbraw/zinc/67/42/38/964674238.db2.gz LAAGZTLAGZUGCL-SNVBAGLBSA-N 1 3 227.377 2.313 20 0 BEADHO C(C1CC1)N1CCC([NH+]2CC3(CCC3)C2)CC1 ZINC001168371410 964939721 /nfs/dbraw/zinc/93/97/21/964939721.db2.gz FVOBGMNCGGWMJH-UHFFFAOYSA-N 1 3 234.387 2.347 20 0 BEADHO N[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094181 965725773 /nfs/dbraw/zinc/72/57/73/965725773.db2.gz JZCNXXCZYYAIRK-RFQIPJPRSA-N 1 3 220.360 2.012 20 0 BEADHO N[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094181 965725762 /nfs/dbraw/zinc/72/57/62/965725762.db2.gz JZCNXXCZYYAIRK-RFQIPJPRSA-N 1 3 220.360 2.012 20 0 BEADHO N[C@@H]1CCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094180 965727126 /nfs/dbraw/zinc/72/71/26/965727126.db2.gz JZCNXXCZYYAIRK-REWJHTLYSA-N 1 3 220.360 2.012 20 0 BEADHO N[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094180 965727128 /nfs/dbraw/zinc/72/71/28/965727128.db2.gz JZCNXXCZYYAIRK-REWJHTLYSA-N 1 3 220.360 2.012 20 0 BEADHO CCC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959457 966179461 /nfs/dbraw/zinc/17/94/61/966179461.db2.gz QAESLDZBYLAQFO-FVCCEPFGSA-N 1 3 210.365 2.092 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCC3)[C@@H]2C1 ZINC001204089352 966891834 /nfs/dbraw/zinc/89/18/34/966891834.db2.gz MGVNUHXCBGEYHC-XQQFMLRXSA-N 1 3 222.376 2.106 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2CC[C@](C)([NH3+])C2)CC1 ZINC001204762772 967150605 /nfs/dbraw/zinc/15/06/05/967150605.db2.gz DFNNKZOISLXKRU-IHRRRGAJSA-N 1 3 222.376 2.402 20 0 BEADHO Cc1cc2[nH]ccc2c(-c2cncc(C[NH3+])c2)n1 ZINC001239791743 967187528 /nfs/dbraw/zinc/18/75/28/967187528.db2.gz KSSKWQDSSQQTHR-UHFFFAOYSA-N 1 3 238.294 2.392 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000715584755 967194433 /nfs/dbraw/zinc/19/44/33/967194433.db2.gz RBFCVXPRVOZKBR-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000715584761 967196540 /nfs/dbraw/zinc/19/65/40/967196540.db2.gz RBFCVXPRVOZKBR-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](N)C3(CC3)C2)c(C)c1 ZINC001204904837 967227242 /nfs/dbraw/zinc/22/72/42/967227242.db2.gz ZUZNBFNJVDJLSF-CQSZACIVSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](N)C3(CC3)C2)c(C)c1 ZINC001204904837 967227249 /nfs/dbraw/zinc/22/72/49/967227249.db2.gz ZUZNBFNJVDJLSF-CQSZACIVSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(CCCN2CCC[C@H]([NH3+])CC2)o1 ZINC001205093851 967337264 /nfs/dbraw/zinc/33/72/64/967337264.db2.gz GPDBLQUPGYBFRM-ZDUSSCGKSA-N 1 3 236.359 2.334 20 0 BEADHO Cc1csc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205136112 967383274 /nfs/dbraw/zinc/38/32/74/967383274.db2.gz OWXXRNKUIXLNQA-WDEREUQCSA-N 1 3 224.373 2.083 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCO[C@H]1C)N1CCCCC1 ZINC001205391625 967607146 /nfs/dbraw/zinc/60/71/46/967607146.db2.gz QQSACBFYNBHVBA-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](CCN[C@H]1CCO[C@H]1C)[NH+]1CCCCC1 ZINC001205391625 967607166 /nfs/dbraw/zinc/60/71/66/967607166.db2.gz QQSACBFYNBHVBA-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO N[C@H]1CC[N@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165543 968105262 /nfs/dbraw/zinc/10/52/62/968105262.db2.gz NZLBXCQVXDDXJB-MNOVXSKESA-N 1 3 228.336 2.009 20 0 BEADHO N[C@H]1CC[N@@H+](Cc2ccsc2)CC[C@H]1F ZINC001206165543 968105264 /nfs/dbraw/zinc/10/52/64/968105264.db2.gz NZLBXCQVXDDXJB-MNOVXSKESA-N 1 3 228.336 2.009 20 0 BEADHO Cc1cc2cc(N3CC[C@@H]([NH3+])C3)ccc2cn1 ZINC001164289233 968215871 /nfs/dbraw/zinc/21/58/71/968215871.db2.gz WICRMLJGAYIJDY-CYBMUJFWSA-N 1 3 227.311 2.081 20 0 BEADHO Cc1c[nH]c(CN2CCCC[C@@H](C[NH3+])C2)c1C ZINC001206623291 968425003 /nfs/dbraw/zinc/42/50/03/968425003.db2.gz KWBCQLUSHKCQMK-ZDUSSCGKSA-N 1 3 235.375 2.192 20 0 BEADHO CC/C=C\CC[N@@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206760698 968459369 /nfs/dbraw/zinc/45/93/69/968459369.db2.gz KKTYOKBSRVBHOX-DIABFLQPSA-N 1 3 210.365 2.402 20 0 BEADHO CC/C=C\CC[N@H+]1C[C@@H](CN)CC[C@H]1C ZINC001206760698 968459371 /nfs/dbraw/zinc/45/93/71/968459371.db2.gz KKTYOKBSRVBHOX-DIABFLQPSA-N 1 3 210.365 2.402 20 0 BEADHO C[C@@H]1CN(CCC2CC[NH+](C)CC2)C[C@@H]1F ZINC001207479278 968793128 /nfs/dbraw/zinc/79/31/28/968793128.db2.gz DWADZCTWFYOJEB-YPMHNXCESA-N 1 3 228.355 2.008 20 0 BEADHO C[C@@H](CC[NH2+]C1Cc2ccccc2C1)N(C)C ZINC000829318862 968828695 /nfs/dbraw/zinc/82/86/95/968828695.db2.gz AHXPXWIWEFSRKN-LBPRGKRZSA-N 1 3 232.371 2.084 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCCC3)[C@@H]2C1 ZINC001207843936 968899489 /nfs/dbraw/zinc/89/94/89/968899489.db2.gz JBODQXVWOWPHTJ-BFHYXJOUSA-N 1 3 236.403 2.497 20 0 BEADHO CCCC(CCC)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404874 969161109 /nfs/dbraw/zinc/16/11/09/969161109.db2.gz JXPPDDXSHAGREU-ZDUSSCGKSA-N 1 3 244.423 2.294 20 0 BEADHO CC/C=C\CC[NH+]1CCC2(CN(C)C2)CC1 ZINC001208730622 969216663 /nfs/dbraw/zinc/21/66/63/969216663.db2.gz ZHZFLHALUWUNNK-PLNGDYQASA-N 1 3 222.376 2.370 20 0 BEADHO CC/C=C\CCN1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001208733019 969218485 /nfs/dbraw/zinc/21/84/85/969218485.db2.gz AOHOZPHBRQQQJX-HLMASZERSA-N 1 3 222.376 2.226 20 0 BEADHO Cc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)ccn1 ZINC001169079210 969396209 /nfs/dbraw/zinc/39/62/09/969396209.db2.gz JWVQGKPASVGVFM-QDMKHBRRSA-N 1 3 245.370 2.105 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)ccn1 ZINC001169079212 969399778 /nfs/dbraw/zinc/39/97/78/969399778.db2.gz JWVQGKPASVGVFM-QKDCVEJESA-N 1 3 245.370 2.105 20 0 BEADHO CCN(C)C1CC[NH+](CCC(C)(C)OC)CC1 ZINC001209409673 969476417 /nfs/dbraw/zinc/47/64/17/969476417.db2.gz SDMFRAGBMYSSSU-UHFFFAOYSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254516381 969685100 /nfs/dbraw/zinc/68/51/00/969685100.db2.gz MDTGXOWJOBXZAY-XQQFMLRXSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254516381 969685104 /nfs/dbraw/zinc/68/51/04/969685104.db2.gz MDTGXOWJOBXZAY-XQQFMLRXSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)CC2)C[C@H]1F ZINC001254516495 969690014 /nfs/dbraw/zinc/69/00/14/969690014.db2.gz NEBYONGCHIRDOX-JHJVBQTASA-N 1 3 228.355 2.151 20 0 BEADHO C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)CC2)C[C@H]1F ZINC001254516495 969690023 /nfs/dbraw/zinc/69/00/23/969690023.db2.gz NEBYONGCHIRDOX-JHJVBQTASA-N 1 3 228.355 2.151 20 0 BEADHO Cc1ncccc1C[N@@H+](C)[C@@H]1CCCN(C)CC1 ZINC001254529234 969726903 /nfs/dbraw/zinc/72/69/03/969726903.db2.gz FKANMLZLJKKPBA-OAHLLOKOSA-N 1 3 247.386 2.306 20 0 BEADHO Cc1ncccc1C[N@H+](C)[C@@H]1CCCN(C)CC1 ZINC001254529234 969726907 /nfs/dbraw/zinc/72/69/07/969726907.db2.gz FKANMLZLJKKPBA-OAHLLOKOSA-N 1 3 247.386 2.306 20 0 BEADHO CCCCN(C)CCC[NH2+][C@H]1CCSC1 ZINC001255269085 970018071 /nfs/dbraw/zinc/01/80/71/970018071.db2.gz YCGWLDOLAGCAEJ-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCCC[N@H+](C)CCCN[C@H]1CCSC1 ZINC001255269085 970018058 /nfs/dbraw/zinc/01/80/58/970018058.db2.gz YCGWLDOLAGCAEJ-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCCC[N@@H+](C)CCCN[C@H]1CCSC1 ZINC001255269085 970018066 /nfs/dbraw/zinc/01/80/66/970018066.db2.gz YCGWLDOLAGCAEJ-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCC1 ZINC001255940898 970572237 /nfs/dbraw/zinc/57/22/37/970572237.db2.gz IHOKCIGGDYEGOF-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001255954369 970586430 /nfs/dbraw/zinc/58/64/30/970586430.db2.gz VOZQLFCSAXSRIX-IHRRRGAJSA-N 1 3 242.407 2.264 20 0 BEADHO [NH3+]CC1(F)CCN(Cc2ccc(F)cc2)CC1 ZINC001222531946 972549043 /nfs/dbraw/zinc/54/90/43/972549043.db2.gz GODHNLJYAZFGBO-UHFFFAOYSA-N 1 3 240.297 2.089 20 0 BEADHO CCc1ccc(CN2CCC(F)(C[NH3+])CC2)o1 ZINC001222531602 972549472 /nfs/dbraw/zinc/54/94/72/972549472.db2.gz DPGSLOORXYLECT-UHFFFAOYSA-N 1 3 240.322 2.105 20 0 BEADHO [NH3+][C@H]1CCCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246542998 972583577 /nfs/dbraw/zinc/58/35/77/972583577.db2.gz QWZBYFANCUUZIX-QWHCGFSZSA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246573133 972857605 /nfs/dbraw/zinc/85/76/05/972857605.db2.gz YUBYOFQTQWTFPD-UPJWGTAASA-N 1 3 228.355 2.341 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246573133 972857611 /nfs/dbraw/zinc/85/76/11/972857611.db2.gz YUBYOFQTQWTFPD-UPJWGTAASA-N 1 3 228.355 2.341 20 0 BEADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594969 973002531 /nfs/dbraw/zinc/00/25/31/973002531.db2.gz WWVVEEDDQJDVLW-ITGHMWBKSA-N 1 3 236.403 2.480 20 0 BEADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594969 973002545 /nfs/dbraw/zinc/00/25/45/973002545.db2.gz WWVVEEDDQJDVLW-ITGHMWBKSA-N 1 3 236.403 2.480 20 0 BEADHO COCC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246780991 973086493 /nfs/dbraw/zinc/08/64/93/973086493.db2.gz DBLNNVGKJGDULP-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246780991 973086503 /nfs/dbraw/zinc/08/65/03/973086503.db2.gz DBLNNVGKJGDULP-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246811817 973113317 /nfs/dbraw/zinc/11/33/17/973113317.db2.gz XMXHUXTUYZPDAC-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246811817 973113325 /nfs/dbraw/zinc/11/33/25/973113325.db2.gz XMXHUXTUYZPDAC-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C)NC1 ZINC001246810618 973114989 /nfs/dbraw/zinc/11/49/89/973114989.db2.gz PKQAUCABJYPPAP-AVGNSLFASA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C)NC1 ZINC001246810618 973114998 /nfs/dbraw/zinc/11/49/98/973114998.db2.gz PKQAUCABJYPPAP-AVGNSLFASA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)[C@H]1CCC[NH2+]1 ZINC001328614499 973196001 /nfs/dbraw/zinc/19/60/01/973196001.db2.gz FROQHWGOKSNIEY-MTVMDMGHSA-N 1 3 244.329 2.150 20 0 BEADHO C[C@H]1CC[C@@H]([NH+]2CC3CCC(CC3)C2)CN1 ZINC001246881786 973285695 /nfs/dbraw/zinc/28/56/95/973285695.db2.gz JCNKGSVZDFHVCG-GFJIZPEISA-N 1 3 222.376 2.249 20 0 BEADHO C1CC2(C1)CCC[N@@H+](C1CCNCC1)C2 ZINC001246942490 973638913 /nfs/dbraw/zinc/63/89/13/973638913.db2.gz PJBGKHRWRBXZMI-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO C1CC2(C1)CCC[N@H+](C1CCNCC1)C2 ZINC001246942490 973638920 /nfs/dbraw/zinc/63/89/20/973638920.db2.gz PJBGKHRWRBXZMI-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccnc1)C2 ZINC001172099216 974340596 /nfs/dbraw/zinc/34/05/96/974340596.db2.gz GODRFKZWHKAECZ-QKDCVEJESA-N 1 3 245.370 2.187 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3C[C@H]31)C2 ZINC001172129925 974349532 /nfs/dbraw/zinc/34/95/32/974349532.db2.gz MEPISAUBPCWGPM-VQJWOFKYSA-N 1 3 234.387 2.486 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3C[C@H]31)C2 ZINC001172129925 974349539 /nfs/dbraw/zinc/34/95/39/974349539.db2.gz MEPISAUBPCWGPM-VQJWOFKYSA-N 1 3 234.387 2.486 20 0 BEADHO C[C@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172106283 974369288 /nfs/dbraw/zinc/36/92/88/974369288.db2.gz OUWSTKBOCHXQDI-RVMXOQNASA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](N)c1ccn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106283 974369299 /nfs/dbraw/zinc/36/92/99/974369299.db2.gz OUWSTKBOCHXQDI-RVMXOQNASA-N 1 3 248.374 2.091 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)oc1C ZINC001206164075 974630436 /nfs/dbraw/zinc/63/04/36/974630436.db2.gz JEWVGTOMJNUZKN-QWHCGFSZSA-N 1 3 240.322 2.158 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)oc1C ZINC001206164075 974630438 /nfs/dbraw/zinc/63/04/38/974630438.db2.gz JEWVGTOMJNUZKN-QWHCGFSZSA-N 1 3 240.322 2.158 20 0 BEADHO C[NH2+][C@H](C)CCN[C@@H](C)Cc1ccccc1F ZINC001331820914 974827888 /nfs/dbraw/zinc/82/78/88/974827888.db2.gz KMUBDWGWYYVBDS-NEPJUHHUSA-N 1 3 238.350 2.344 20 0 BEADHO [NH3+][C@@H]1C[C@H]1N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172540544 974876036 /nfs/dbraw/zinc/87/60/36/974876036.db2.gz OLGHKPYFRNKGNL-LXTVHRRPSA-N 1 3 230.355 2.402 20 0 BEADHO CCCOC1CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC001173095117 975019149 /nfs/dbraw/zinc/01/91/49/975019149.db2.gz YXFKAWZJMWSCEQ-IYXRBSQSSA-N 1 3 242.407 2.251 20 0 BEADHO CCCOC1CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC001173095117 975019151 /nfs/dbraw/zinc/01/91/51/975019151.db2.gz YXFKAWZJMWSCEQ-IYXRBSQSSA-N 1 3 242.407 2.251 20 0 BEADHO CCCOC1CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC001173095116 975020349 /nfs/dbraw/zinc/02/03/49/975020349.db2.gz YXFKAWZJMWSCEQ-HSBZDZAISA-N 1 3 242.407 2.251 20 0 BEADHO CCCOC1CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC001173095116 975020352 /nfs/dbraw/zinc/02/03/52/975020352.db2.gz YXFKAWZJMWSCEQ-HSBZDZAISA-N 1 3 242.407 2.251 20 0 BEADHO CCSC[C@H](C)[N@H+](CCCN)C(C)C ZINC001173293184 975169699 /nfs/dbraw/zinc/16/96/99/975169699.db2.gz XZJMREWWZMIYJJ-NSHDSACASA-N 1 3 218.410 2.187 20 0 BEADHO CCSC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001173293184 975169706 /nfs/dbraw/zinc/16/97/06/975169706.db2.gz XZJMREWWZMIYJJ-NSHDSACASA-N 1 3 218.410 2.187 20 0 BEADHO CCSC[C@H](C)N(CCC[NH3+])C(C)C ZINC001173293184 975169709 /nfs/dbraw/zinc/16/97/09/975169709.db2.gz XZJMREWWZMIYJJ-NSHDSACASA-N 1 3 218.410 2.187 20 0 BEADHO NC[C@@H]1CCC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001574270392 1170024301 /nfs/dbraw/zinc/02/43/01/1170024301.db2.gz FFLRDHMLZWWJSS-ZDUSSCGKSA-N 1 3 244.382 2.072 20 0 BEADHO NC[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001574270392 1170024311 /nfs/dbraw/zinc/02/43/11/1170024311.db2.gz FFLRDHMLZWWJSS-ZDUSSCGKSA-N 1 3 244.382 2.072 20 0 BEADHO CN1CCc2ccc(Nc3[nH]cc[nH+]3)cc2C1 ZINC001176090736 977895027 /nfs/dbraw/zinc/89/50/27/977895027.db2.gz PCRJOUKPSUDPJB-UHFFFAOYSA-N 1 3 228.299 2.141 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1CCC2(CNC2)C1 ZINC001235024916 978956565 /nfs/dbraw/zinc/95/65/65/978956565.db2.gz SNZYEYBAAZIHLR-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1CCC2(CNC2)C1 ZINC001235024916 978956569 /nfs/dbraw/zinc/95/65/69/978956569.db2.gz SNZYEYBAAZIHLR-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CCCC[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235172293 978990241 /nfs/dbraw/zinc/99/02/41/978990241.db2.gz LEHGQRBFQRMRSP-ZDUSSCGKSA-N 1 3 210.365 2.395 20 0 BEADHO C[C@H](N)C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187263 978992546 /nfs/dbraw/zinc/99/25/46/978992546.db2.gz UWKNMVVHYCEMFO-ZDUSSCGKSA-N 1 3 242.366 2.394 20 0 BEADHO CC1=CC[C@@H](CC[N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)C1(C)C ZINC001235282680 979018193 /nfs/dbraw/zinc/01/81/93/979018193.db2.gz GTSSRNQIZOKSQN-FQUUOJAGSA-N 1 3 234.387 2.258 20 0 BEADHO CC1=CC[C@@H](CC[N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)C1(C)C ZINC001235282680 979018199 /nfs/dbraw/zinc/01/81/99/979018199.db2.gz GTSSRNQIZOKSQN-FQUUOJAGSA-N 1 3 234.387 2.258 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283253 979018437 /nfs/dbraw/zinc/01/84/37/979018437.db2.gz LUBSBRGFOTUZPH-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235283253 979018443 /nfs/dbraw/zinc/01/84/43/979018443.db2.gz LUBSBRGFOTUZPH-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1C ZINC001235960525 979229714 /nfs/dbraw/zinc/22/97/14/979229714.db2.gz YSWKOAAOKBVKSH-MUJYYYPQSA-N 1 3 244.382 2.473 20 0 BEADHO CCc1cccc(C)c1C[N@@H+]1CC[C@H](N)C1 ZINC001236173339 979430511 /nfs/dbraw/zinc/43/05/11/979430511.db2.gz JLLDPRCCNWCQFB-ZDUSSCGKSA-N 1 3 218.344 2.090 20 0 BEADHO CCc1cccc(C)c1C[N@H+]1CC[C@H](N)C1 ZINC001236173339 979430518 /nfs/dbraw/zinc/43/05/18/979430518.db2.gz JLLDPRCCNWCQFB-ZDUSSCGKSA-N 1 3 218.344 2.090 20 0 BEADHO Cc1cc(CN2CCC[C@](C)([NH3+])CC2)ccc1O ZINC001205273060 979831582 /nfs/dbraw/zinc/83/15/82/979831582.db2.gz DDYGHGOLPAJYIB-HNNXBMFYSA-N 1 3 248.370 2.404 20 0 BEADHO Cc1ccc(CC[NH+]2CC3(C2)CCN(C)C3)cc1 ZINC001278066324 979845855 /nfs/dbraw/zinc/84/58/55/979845855.db2.gz DMVNFHMTMIBUMF-UHFFFAOYSA-N 1 3 244.382 2.175 20 0 BEADHO Cc1cccc(CCN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205296210 980063054 /nfs/dbraw/zinc/06/30/54/980063054.db2.gz JANOXSIQWCHLAU-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@H+]2CC[C@@H](C)[C@H](CN)C2)c1 ZINC001205296210 980063060 /nfs/dbraw/zinc/06/30/60/980063060.db2.gz JANOXSIQWCHLAU-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@@H+]2CC[C@@H](C)[C@H](CN)C2)c1 ZINC001205296210 980063066 /nfs/dbraw/zinc/06/30/66/980063066.db2.gz JANOXSIQWCHLAU-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO c1ncc(C2=CC[NH2+]CC2)cc1CN1CCCC1 ZINC001240469595 981405102 /nfs/dbraw/zinc/40/51/02/981405102.db2.gz DXAXBVBOLWCPPT-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO CN1CCc2ccc(C3=CC[N@H+](C)CC3)cc2C1 ZINC001241331450 982495021 /nfs/dbraw/zinc/49/50/21/982495021.db2.gz AOQKKDQKFMZREQ-UHFFFAOYSA-N 1 3 242.366 2.393 20 0 BEADHO CN1CCc2ccc(C3=CC[N@@H+](C)CC3)cc2C1 ZINC001241331450 982495028 /nfs/dbraw/zinc/49/50/28/982495028.db2.gz AOQKKDQKFMZREQ-UHFFFAOYSA-N 1 3 242.366 2.393 20 0 BEADHO CN1CCC=C(c2ccc3c(c2)C[NH2+]C3)C1 ZINC001241570650 982823943 /nfs/dbraw/zinc/82/39/43/982823943.db2.gz MZYDMWQRNZDIAE-UHFFFAOYSA-N 1 3 214.312 2.009 20 0 BEADHO CN1CCC=C(c2ccc3c(c2)[C@@H]([NH3+])CC3)C1 ZINC001241572509 982827030 /nfs/dbraw/zinc/82/70/30/982827030.db2.gz ZKUCSLLAIKPJHC-HNNXBMFYSA-N 1 3 228.339 2.352 20 0 BEADHO CCCC[NH+](CCCC)CCCNC[C@H](C)O ZINC001251970003 983056590 /nfs/dbraw/zinc/05/65/90/983056590.db2.gz DLGKIULNNJVCEF-AWEZNQCLSA-N 1 3 244.423 2.249 20 0 BEADHO c1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)ccn1 ZINC001354032516 983120383 /nfs/dbraw/zinc/12/03/83/983120383.db2.gz XBTBIXVPTOXBRJ-OAHLLOKOSA-N 1 3 245.370 2.322 20 0 BEADHO c1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)ccn1 ZINC001354032516 983120394 /nfs/dbraw/zinc/12/03/94/983120394.db2.gz XBTBIXVPTOXBRJ-OAHLLOKOSA-N 1 3 245.370 2.322 20 0 BEADHO C[C@H]1NCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001354222017 983204596 /nfs/dbraw/zinc/20/45/96/983204596.db2.gz WLXKRTVGBLSDPK-WBMJQRKESA-N 1 3 244.382 2.405 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201441371 983244073 /nfs/dbraw/zinc/24/40/73/983244073.db2.gz CSEHLXVUYCDJJD-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](CC(C)(C)C)C[C@@H]2C1 ZINC001201441371 983244080 /nfs/dbraw/zinc/24/40/80/983244080.db2.gz CSEHLXVUYCDJJD-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@H+]1C[C@H]2CN(CC(C)(C)C)C[C@H]2C1 ZINC001201441371 983244090 /nfs/dbraw/zinc/24/40/90/983244090.db2.gz CSEHLXVUYCDJJD-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@@H+]1C[C@H]2CN(CC(C)(C)C)C[C@H]2C1 ZINC001201441371 983244096 /nfs/dbraw/zinc/24/40/96/983244096.db2.gz CSEHLXVUYCDJJD-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001201516847 983315459 /nfs/dbraw/zinc/31/54/59/983315459.db2.gz DMKPZFXLMQXTJJ-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001201516847 983315462 /nfs/dbraw/zinc/31/54/62/983315462.db2.gz DMKPZFXLMQXTJJ-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccccc3)C[C@H]21 ZINC001201606095 983374416 /nfs/dbraw/zinc/37/44/16/983374416.db2.gz IJZYYHDXBSEGEN-JKSUJKDBSA-N 1 3 244.382 2.255 20 0 BEADHO C[N@H+]1CCC[C@H]2CN(CCc3ccccc3)C[C@H]21 ZINC001201606095 983374423 /nfs/dbraw/zinc/37/44/23/983374423.db2.gz IJZYYHDXBSEGEN-JKSUJKDBSA-N 1 3 244.382 2.255 20 0 BEADHO CCCN1C[C@@H]2C[NH+](CC3CCCC3)C[C@H]2C1 ZINC001202189993 983592490 /nfs/dbraw/zinc/59/24/90/983592490.db2.gz ITCUICMXDQUHHD-HUUCEWRRSA-N 1 3 236.403 2.450 20 0 BEADHO CCC[C@H](O)CNCCC[N@@H+]1CCCC[C@@H]1C ZINC001252799424 983896013 /nfs/dbraw/zinc/89/60/13/983896013.db2.gz RUVOTADGHHSVMH-KBPBESRZSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@H](O)CNCCC[N@H+]1CCCC[C@@H]1C ZINC001252799424 983896015 /nfs/dbraw/zinc/89/60/15/983896015.db2.gz RUVOTADGHHSVMH-KBPBESRZSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@H](O)C[NH2+]CCCN1CCCC[C@@H]1C ZINC001252799424 983896017 /nfs/dbraw/zinc/89/60/17/983896017.db2.gz RUVOTADGHHSVMH-KBPBESRZSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@@H](C[N@H+](CCC)C1CCNCC1)OC ZINC001577357750 984193992 /nfs/dbraw/zinc/19/39/92/984193992.db2.gz IWXZAPRTDCWLEA-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@@H](C[N@@H+](CCC)C1CCNCC1)OC ZINC001577357750 984193997 /nfs/dbraw/zinc/19/39/97/984193997.db2.gz IWXZAPRTDCWLEA-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)[NH2+]CCNC1C[C@@H](C)C[C@H](C)C1 ZINC000719345227 984635206 /nfs/dbraw/zinc/63/52/06/984635206.db2.gz HKHXUZSARKWJPA-RYUDHWBXSA-N 1 3 212.381 2.399 20 0 BEADHO c1ccc([C@@H]2C[C@@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC001580891709 984623250 /nfs/dbraw/zinc/62/32/50/984623250.db2.gz FFTUGPSODQRQTR-OWYFMNJBSA-N 1 3 242.366 2.273 20 0 BEADHO [NH3+]CCCCN1CCC[C@@H]1c1nccs1 ZINC000710598914 984808266 /nfs/dbraw/zinc/80/82/66/984808266.db2.gz WRIGTVYBDQEDRM-SNVBAGLBSA-N 1 3 225.361 2.019 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256799568 984840047 /nfs/dbraw/zinc/84/00/47/984840047.db2.gz VFPQOPOZDXYIDU-SNPRPXQTSA-N 1 3 248.370 2.091 20 0 BEADHO CCOc1ccc(CN[C@@H](C)CC[NH3+])c(C)c1 ZINC001578179331 984868916 /nfs/dbraw/zinc/86/89/16/984868916.db2.gz CEQRWANERFMWEB-LBPRGKRZSA-N 1 3 236.359 2.221 20 0 BEADHO CCC(C)(C)CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000686307630 985105784 /nfs/dbraw/zinc/10/57/84/985105784.db2.gz ZAHOVVDQGWYJQX-QSLWVIQJSA-N 1 3 236.403 2.399 20 0 BEADHO C[NH2+]C[C@H](C)NCC1(CCOC)CCCCC1 ZINC001578638353 985245894 /nfs/dbraw/zinc/24/58/94/985245894.db2.gz LVXQUPRXGYMFDO-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCc2ccccc2C1 ZINC001578687339 985292636 /nfs/dbraw/zinc/29/26/36/985292636.db2.gz JLNAXIPBKQELBK-CQSZACIVSA-N 1 3 246.398 2.333 20 0 BEADHO C[NH2+]CCCN(C)CCCCOC(C)(C)C ZINC001578687241 985300273 /nfs/dbraw/zinc/30/02/73/985300273.db2.gz CQVAFKYQCXFBRB-UHFFFAOYSA-N 1 3 230.396 2.123 20 0 BEADHO CC[C@H](C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000688037623 985507059 /nfs/dbraw/zinc/50/70/59/985507059.db2.gz CBXAJTUESJRZSM-VIFPVBQESA-N 1 3 224.373 2.282 20 0 BEADHO CO[C@]1(C)CCC[N@H+](CCCNC2CC2)CC1 ZINC001578925086 985527983 /nfs/dbraw/zinc/52/79/83/985527983.db2.gz ZIQXLSUKPJRSHM-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@]1(C)CCC[N@@H+](CCCNC2CC2)CC1 ZINC001578925086 985527994 /nfs/dbraw/zinc/52/79/94/985527994.db2.gz ZIQXLSUKPJRSHM-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@]1(C)CCCN(CCC[NH2+]C2CC2)CC1 ZINC001578925086 985528016 /nfs/dbraw/zinc/52/80/16/985528016.db2.gz ZIQXLSUKPJRSHM-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC001579439961 985930383 /nfs/dbraw/zinc/93/03/83/985930383.db2.gz FTVLUYALSINRQS-XJKCOSOUSA-N 1 3 244.382 2.071 20 0 BEADHO NC[C@@H]1CCCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606777 985939385 /nfs/dbraw/zinc/93/93/85/985939385.db2.gz SKGZWBPAJLSXAK-BYNSBNAKSA-N 1 3 234.387 2.259 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606777 985939396 /nfs/dbraw/zinc/93/93/96/985939396.db2.gz SKGZWBPAJLSXAK-BYNSBNAKSA-N 1 3 234.387 2.259 20 0 BEADHO Cc1cccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)c1 ZINC001579759494 986212799 /nfs/dbraw/zinc/21/27/99/986212799.db2.gz KRUXKIDHEBUKSW-DRPJVOAASA-N 1 3 244.382 2.409 20 0 BEADHO FC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000689461834 986622365 /nfs/dbraw/zinc/62/23/65/986622365.db2.gz MGLQLOOXFMEZLV-UHFFFAOYSA-N 1 3 248.345 2.266 20 0 BEADHO C[N@@H+]1CCC[C@H](N2CC3(C2)CCCC3)CC1 ZINC001254519779 986659778 /nfs/dbraw/zinc/65/97/78/986659778.db2.gz KIGPHJMSGRGHMU-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO C[N@H+]1CCC[C@H](N2CC3(C2)CCCC3)CC1 ZINC001254519779 986659788 /nfs/dbraw/zinc/65/97/88/986659788.db2.gz KIGPHJMSGRGHMU-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO [NH3+]CC[C@@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001580288356 986730332 /nfs/dbraw/zinc/73/03/32/986730332.db2.gz KBBIJTVEGCXPEP-SNVBAGLBSA-N 1 3 243.301 2.054 20 0 BEADHO CC(C)(F)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693713040 987312328 /nfs/dbraw/zinc/31/23/28/987312328.db2.gz MDQHRPAXQYDVFG-GRYCIOLGSA-N 1 3 242.382 2.491 20 0 BEADHO CC1(CN[C@H]2CCCC[NH2+]C2)CCCC1 ZINC001246083083 987378297 /nfs/dbraw/zinc/37/82/97/987378297.db2.gz SRGUKOAJPITULJ-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CC[C@H]1CC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087700 987391819 /nfs/dbraw/zinc/39/18/19/987391819.db2.gz ZWXHGLQAHREZNT-CYDGBPFRSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)CCN1 ZINC001246112323 987445093 /nfs/dbraw/zinc/44/50/93/987445093.db2.gz QYZKCQZUIRYGQH-VWYCJHECSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)CCN1 ZINC001246112322 987447770 /nfs/dbraw/zinc/44/77/70/987447770.db2.gz QYZKCQZUIRYGQH-OUAUKWLOSA-N 1 3 232.318 2.152 20 0 BEADHO CC[C@H](CC(C)C)[NH2+][C@H]1CNCC12CC2 ZINC001246132901 987481134 /nfs/dbraw/zinc/48/11/34/987481134.db2.gz NGDGHAAUPZMWDP-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC(C)(C)C1 ZINC001246145929 987501587 /nfs/dbraw/zinc/50/15/87/987501587.db2.gz GFYFXSDTJBDMMA-DGTMBMJNSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150685 987512440 /nfs/dbraw/zinc/51/24/40/987512440.db2.gz XLPXBTNZQBOPPA-YHQUGGNUSA-N 1 3 224.392 2.255 20 0 BEADHO C[C@H](CCCC(C)(C)O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227328 987622354 /nfs/dbraw/zinc/62/23/54/987622354.db2.gz BYUJAQJQGBADAR-JHJVBQTASA-N 1 3 242.407 2.046 20 0 BEADHO C[C@@H](CCCC(C)(C)O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227323 987623137 /nfs/dbraw/zinc/62/31/37/987623137.db2.gz BYUJAQJQGBADAR-AGIUHOORSA-N 1 3 242.407 2.046 20 0 BEADHO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246230727 987629278 /nfs/dbraw/zinc/62/92/78/987629278.db2.gz LLTSJXCPBKRQKN-UPJWGTAASA-N 1 3 242.407 2.046 20 0 BEADHO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246230724 987630156 /nfs/dbraw/zinc/63/01/56/987630156.db2.gz LLTSJXCPBKRQKN-JHJVBQTASA-N 1 3 242.407 2.046 20 0 BEADHO c1[nH]c2ccccc2c1CN[C@@H]1CCC[NH2+]CC1 ZINC001246242719 987646000 /nfs/dbraw/zinc/64/60/00/987646000.db2.gz GXSKFCNURLXKLO-CYBMUJFWSA-N 1 3 243.354 2.400 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283667 987677496 /nfs/dbraw/zinc/67/74/96/987677496.db2.gz XENXYSUKPLCSPY-RABLLNBGSA-N 1 3 248.345 2.412 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1cccc(F)c1 ZINC001246312078 987713582 /nfs/dbraw/zinc/71/35/82/987713582.db2.gz FMTMYPLYEAMTAA-GWCFXTLKSA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001246313106 987717878 /nfs/dbraw/zinc/71/78/78/987717878.db2.gz JAVULLJOGVFYEL-KKUMJFAQSA-N 1 3 248.370 2.234 20 0 BEADHO C[C@H]1CC[C@H](NCCCCCCCCO)C[NH2+]1 ZINC001246345045 987753569 /nfs/dbraw/zinc/75/35/69/987753569.db2.gz VACOVGSNOTYDHN-KBPBESRZSA-N 1 3 242.407 2.049 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246352576 987759205 /nfs/dbraw/zinc/75/92/05/987759205.db2.gz SDHGHTPTGOMFCD-IUODEOHRSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246358627 987768747 /nfs/dbraw/zinc/76/87/47/987768747.db2.gz GAZAVGXSJNBHAV-RVMXOQNASA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246378648 987775033 /nfs/dbraw/zinc/77/50/33/987775033.db2.gz XXVHFXVHSSFDOW-WBMJQRKESA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1CC[C@H](NCC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375752 987776458 /nfs/dbraw/zinc/77/64/58/987776458.db2.gz KNQJXEZLICRUOB-LRDDRELGSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1CC[C@@H](NCC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375751 987777191 /nfs/dbraw/zinc/77/71/91/987777191.db2.gz KNQJXEZLICRUOB-BLLLJJGKSA-N 1 3 244.382 2.132 20 0 BEADHO CCCC1(N[C@@H]2CC[C@@H](C)[NH2+]C2)CCC1 ZINC001246387010 987779713 /nfs/dbraw/zinc/77/97/13/987779713.db2.gz QVTMWKCQFDXRBT-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3ccccc32)CCN1 ZINC001246421631 987796279 /nfs/dbraw/zinc/79/62/79/987796279.db2.gz SGSGQUMGIHZLLZ-BPLDGKMQSA-N 1 3 244.382 2.447 20 0 BEADHO CC(C)(CN[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC001246430018 987796902 /nfs/dbraw/zinc/79/69/02/987796902.db2.gz DPGSVJBNAPISAL-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO CCCCCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246445441 987799862 /nfs/dbraw/zinc/79/98/62/987799862.db2.gz OFYQYJVWYWBXRE-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CCCCCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246445441 987799869 /nfs/dbraw/zinc/79/98/69/987799869.db2.gz OFYQYJVWYWBXRE-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2cccnc2)CCN1 ZINC001246444650 987802542 /nfs/dbraw/zinc/80/25/42/987802542.db2.gz AQQFKANOXJMZHH-GXTWGEPZSA-N 1 3 247.386 2.133 20 0 BEADHO FC(F)(F)C1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246444262 987803199 /nfs/dbraw/zinc/80/31/99/987803199.db2.gz JNIMCBIABUUDAG-RTBKNWGFSA-N 1 3 248.292 2.059 20 0 BEADHO FC(F)(F)C1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246444262 987803201 /nfs/dbraw/zinc/80/32/01/987803201.db2.gz JNIMCBIABUUDAG-RTBKNWGFSA-N 1 3 248.292 2.059 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC12CNC2 ZINC001246445288 987804153 /nfs/dbraw/zinc/80/41/53/987804153.db2.gz NSVMTLAYDUHRQA-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC[C@H](CCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246466605 987825962 /nfs/dbraw/zinc/82/59/62/987825962.db2.gz QZFZNUFPDLJBLH-MJBXVCDLSA-N 1 3 242.407 2.312 20 0 BEADHO [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1Cc2cccc(F)c2C1 ZINC001246477758 987833479 /nfs/dbraw/zinc/83/34/79/987833479.db2.gz KHBCWXQWBLGRQU-GLQYFDAESA-N 1 3 248.345 2.152 20 0 BEADHO CCC[N@H+]([C@H](C)CC)[C@H](C)CCNC ZINC001246526807 987879956 /nfs/dbraw/zinc/87/99/56/987879956.db2.gz CRIXAFALJCJEMQ-VXGBXAGGSA-N 1 3 200.370 2.495 20 0 BEADHO CCC[N@@H+]([C@H](C)CC)[C@H](C)CCNC ZINC001246526807 987879959 /nfs/dbraw/zinc/87/99/59/987879959.db2.gz CRIXAFALJCJEMQ-VXGBXAGGSA-N 1 3 200.370 2.495 20 0 BEADHO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@H](N)CC1 ZINC001246541810 987914106 /nfs/dbraw/zinc/91/41/06/987914106.db2.gz NSEKRSUTZPXJSL-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H](N)CC1 ZINC001246541810 987914114 /nfs/dbraw/zinc/91/41/14/987914114.db2.gz NSEKRSUTZPXJSL-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@H]1C[N@@H+](C2C[C@H](C)C[C@@H](C)C2)C[C@H]1CN ZINC001246544698 987919001 /nfs/dbraw/zinc/91/90/01/987919001.db2.gz YCTKIPWPYCQRNU-FVCCEPFGSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@H+](C2C[C@H](C)C[C@@H](C)C2)C[C@H]1CN ZINC001246544698 987919010 /nfs/dbraw/zinc/91/90/10/987919010.db2.gz YCTKIPWPYCQRNU-FVCCEPFGSA-N 1 3 224.392 2.338 20 0 BEADHO CC[C@@H](C)OCC[C@@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546420 987924433 /nfs/dbraw/zinc/92/44/33/987924433.db2.gz MVOGMSJDLZNJJX-DGAVXFQQSA-N 1 3 242.407 2.392 20 0 BEADHO C[NH2+]C[C@@H](C)CNCc1cccc2cnccc21 ZINC001117953136 987969913 /nfs/dbraw/zinc/96/99/13/987969913.db2.gz ARINSJDWDZUUIU-GFCCVEGCSA-N 1 3 243.354 2.180 20 0 BEADHO C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246559823 987986630 /nfs/dbraw/zinc/98/66/30/987986630.db2.gz TZIRKJMWUMGSHA-GMTAPVOTSA-N 1 3 232.318 2.091 20 0 BEADHO CCCC[C@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561637 987990670 /nfs/dbraw/zinc/99/06/70/987990670.db2.gz RLWGXQJROKCINW-WDEREUQCSA-N 1 3 234.334 2.481 20 0 BEADHO CCCC[C@@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561635 987997724 /nfs/dbraw/zinc/99/77/24/987997724.db2.gz RLWGXQJROKCINW-MNOVXSKESA-N 1 3 234.334 2.481 20 0 BEADHO C[C@@H]1CCN(C2CC[NH2+]CC2)CCC1(F)F ZINC001246563003 988006598 /nfs/dbraw/zinc/00/65/98/988006598.db2.gz BXVLVDZXORPUQI-SNVBAGLBSA-N 1 3 232.318 2.106 20 0 BEADHO C[C@@H]1CC[N@@H+](C2CCNCC2)CCC1(F)F ZINC001246563003 988006611 /nfs/dbraw/zinc/00/66/11/988006611.db2.gz BXVLVDZXORPUQI-SNVBAGLBSA-N 1 3 232.318 2.106 20 0 BEADHO C[C@@H]1CC[N@H+](C2CCNCC2)CCC1(F)F ZINC001246563003 988006622 /nfs/dbraw/zinc/00/66/22/988006622.db2.gz BXVLVDZXORPUQI-SNVBAGLBSA-N 1 3 232.318 2.106 20 0 BEADHO C[C@@H]1C[C@H](N2CC[C@@H](C)C(F)(F)CC2)CC[NH2+]1 ZINC001246563955 988012858 /nfs/dbraw/zinc/01/28/58/988012858.db2.gz DMGBCWRJVBQELN-IJLUTSLNSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)C(F)(F)CC2)CCN1 ZINC001246563955 988012876 /nfs/dbraw/zinc/01/28/76/988012876.db2.gz DMGBCWRJVBQELN-IJLUTSLNSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)C(F)(F)CC2)CCN1 ZINC001246563955 988012889 /nfs/dbraw/zinc/01/28/89/988012889.db2.gz DMGBCWRJVBQELN-IJLUTSLNSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@@H](N2CC[C@@H](C)C(F)(F)CC2)CC[NH2+]1 ZINC001246563962 988021385 /nfs/dbraw/zinc/02/13/85/988021385.db2.gz DMGBCWRJVBQELN-UTUOFQBUSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)C(F)(F)CC2)CCN1 ZINC001246563962 988021400 /nfs/dbraw/zinc/02/14/00/988021400.db2.gz DMGBCWRJVBQELN-UTUOFQBUSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)C(F)(F)CC2)CCN1 ZINC001246563962 988021421 /nfs/dbraw/zinc/02/14/21/988021421.db2.gz DMGBCWRJVBQELN-UTUOFQBUSA-N 1 3 246.345 2.494 20 0 BEADHO CCSC[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246582509 988109203 /nfs/dbraw/zinc/10/92/03/988109203.db2.gz NCWSZHBRWQODCA-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO CCSC[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246582509 988109191 /nfs/dbraw/zinc/10/91/91/988109191.db2.gz NCWSZHBRWQODCA-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCCC[C@@H](CN)C3)C[C@@H]21 ZINC001246584950 988133421 /nfs/dbraw/zinc/13/34/21/988133421.db2.gz XBBWFQLWPIYKRX-XDQVBPFNSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H](CN)C3)C[C@@H]21 ZINC001246584950 988133426 /nfs/dbraw/zinc/13/34/26/988133426.db2.gz XBBWFQLWPIYKRX-XDQVBPFNSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C[NH3+])CN(C2CCc3ccccc3CC2)C1 ZINC001246588085 988155138 /nfs/dbraw/zinc/15/51/38/988155138.db2.gz BUJSDPQZYQEYMV-UHFFFAOYSA-N 1 3 244.382 2.215 20 0 BEADHO C[C@H]1C[C@@H]([NH+]2CC(C)(CN)C2)CC(C)(C)C1 ZINC001246601272 988203153 /nfs/dbraw/zinc/20/31/53/988203153.db2.gz UNTSXLUKAHVPAW-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246608775 988222655 /nfs/dbraw/zinc/22/26/55/988222655.db2.gz JQSFOCFCROBADP-MGPQQGTHSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246608775 988222667 /nfs/dbraw/zinc/22/26/67/988222667.db2.gz JQSFOCFCROBADP-MGPQQGTHSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@@H]([NH+]2CC3(CNC3)C2)CC(C)(C)C1 ZINC001246612079 988245849 /nfs/dbraw/zinc/24/58/49/988245849.db2.gz FKRKSSUGXRYANH-NWDGAFQWSA-N 1 3 222.376 2.106 20 0 BEADHO C1CCC2(C1)CCC[N@@H+]([C@H]1CCCNC1)C2 ZINC001246616537 988252283 /nfs/dbraw/zinc/25/22/83/988252283.db2.gz WWWPAXQNOIGMRB-ZDUSSCGKSA-N 1 3 222.376 2.395 20 0 BEADHO C1CCC2(C1)CCC[N@H+]([C@H]1CCCNC1)C2 ZINC001246616537 988252302 /nfs/dbraw/zinc/25/23/02/988252302.db2.gz WWWPAXQNOIGMRB-ZDUSSCGKSA-N 1 3 222.376 2.395 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624425 988277885 /nfs/dbraw/zinc/27/78/85/988277885.db2.gz PMGWBZZPIMGLKA-BFHYXJOUSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246624425 988277907 /nfs/dbraw/zinc/27/79/07/988277907.db2.gz PMGWBZZPIMGLKA-BFHYXJOUSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246637710 988327850 /nfs/dbraw/zinc/32/78/50/988327850.db2.gz ISDJJFXQPGHPOI-MBJXGIAVSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246637710 988327865 /nfs/dbraw/zinc/32/78/65/988327865.db2.gz ISDJJFXQPGHPOI-MBJXGIAVSA-N 1 3 222.376 2.247 20 0 BEADHO CCC1CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635539 988332193 /nfs/dbraw/zinc/33/21/93/988332193.db2.gz CKELOYWNQKPCBC-NWINJMCUSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246642103 988349681 /nfs/dbraw/zinc/34/96/81/988349681.db2.gz ZEYVORMFGNMNBC-RKQHYHRCSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@H]1C ZINC001246642103 988349689 /nfs/dbraw/zinc/34/96/89/988349689.db2.gz ZEYVORMFGNMNBC-RKQHYHRCSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C[C@H]1C ZINC001246642103 988349700 /nfs/dbraw/zinc/34/97/00/988349700.db2.gz ZEYVORMFGNMNBC-RKQHYHRCSA-N 1 3 222.376 2.247 20 0 BEADHO CCC1CCC(N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246648411 988374370 /nfs/dbraw/zinc/37/43/70/988374370.db2.gz YJQXKXAJEKQCRM-GNRIBBGQSA-N 1 3 222.376 2.249 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660589 988393920 /nfs/dbraw/zinc/39/39/20/988393920.db2.gz VOMDTPRPHJXJAN-BJJPWKGXSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660589 988393933 /nfs/dbraw/zinc/39/39/33/988393933.db2.gz VOMDTPRPHJXJAN-BJJPWKGXSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660590 988394219 /nfs/dbraw/zinc/39/42/19/988394219.db2.gz VOMDTPRPHJXJAN-MEBFFEOJSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660590 988394227 /nfs/dbraw/zinc/39/42/27/988394227.db2.gz VOMDTPRPHJXJAN-MEBFFEOJSA-N 1 3 224.392 2.480 20 0 BEADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246661858 988396532 /nfs/dbraw/zinc/39/65/32/988396532.db2.gz MHCHQAMZUXPSLY-YIYPIFLZSA-N 1 3 224.392 2.480 20 0 BEADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246661858 988396545 /nfs/dbraw/zinc/39/65/45/988396545.db2.gz MHCHQAMZUXPSLY-YIYPIFLZSA-N 1 3 224.392 2.480 20 0 BEADHO CCc1ccc(C[C@@H](C)N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001246667056 988412156 /nfs/dbraw/zinc/41/21/56/988412156.db2.gz XPUHYORMDQDULT-BQDHKBFISA-N 1 3 244.382 2.069 20 0 BEADHO CC[C@@H](CC(C)C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789225 988468116 /nfs/dbraw/zinc/46/81/16/988468116.db2.gz CFXRUDAGLXEZCE-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](CC(C)C)[N@H+]1CCCC2(CNC2)C1 ZINC001246789225 988468125 /nfs/dbraw/zinc/46/81/25/988468125.db2.gz CFXRUDAGLXEZCE-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CNC3)C2)C[C@H]1C ZINC001246792231 988469813 /nfs/dbraw/zinc/46/98/13/988469813.db2.gz ORBVMOXMLUWNIW-MGPQQGTHSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CNC3)C2)C[C@H]1C ZINC001246792231 988469820 /nfs/dbraw/zinc/46/98/20/988469820.db2.gz ORBVMOXMLUWNIW-MGPQQGTHSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246842034 988544201 /nfs/dbraw/zinc/54/42/01/988544201.db2.gz SWIAYLRCUHHJGQ-FDYHWXHSSA-N 1 3 210.365 2.105 20 0 BEADHO CC[C@H](Cc1ccccc1)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246851721 988572974 /nfs/dbraw/zinc/57/29/74/988572974.db2.gz GSXIIWDIUCXZFA-OAGGEKHMSA-N 1 3 244.382 2.431 20 0 BEADHO CCCCC[C@H](C)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246857567 988595889 /nfs/dbraw/zinc/59/58/89/988595889.db2.gz AZWHTYFKLVCCOG-RWMBFGLXSA-N 1 3 210.365 2.378 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@@H+]3C[C@H]4CC[C@@H](C3)NC4)C[C@@H]21 ZINC001246870720 988637474 /nfs/dbraw/zinc/63/74/74/988637474.db2.gz ZHROHIUXLPRHGH-YHQUGGNUSA-N 1 3 234.387 2.105 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H]4CC[C@@H](C3)NC4)C[C@@H]21 ZINC001246870720 988637488 /nfs/dbraw/zinc/63/74/88/988637488.db2.gz ZHROHIUXLPRHGH-YHQUGGNUSA-N 1 3 234.387 2.105 20 0 BEADHO C[C@@H]1C[N@H+]([C@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895959 988671306 /nfs/dbraw/zinc/67/13/06/988671306.db2.gz RKWFQJWLQWPNCK-TUAOUCFPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895959 988671314 /nfs/dbraw/zinc/67/13/14/988671314.db2.gz RKWFQJWLQWPNCK-TUAOUCFPSA-N 1 3 208.349 2.001 20 0 BEADHO CCC[C@H](CC)[N@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929979 988750568 /nfs/dbraw/zinc/75/05/68/988750568.db2.gz RDPGHCOSIJSYCQ-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@H](CC)[N@@H+](CCOC)[C@@H]1CCCNC1 ZINC001246929979 988750579 /nfs/dbraw/zinc/75/05/79/988750579.db2.gz RDPGHCOSIJSYCQ-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCCCC[C@@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948970 988786823 /nfs/dbraw/zinc/78/68/23/988786823.db2.gz QZBQLRSJQCSGPA-MQYQWHSLSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[N@H+](C1CCOCC1)[C@@H]1CCN[C@H](C)C1 ZINC001246985039 988816691 /nfs/dbraw/zinc/81/66/91/988816691.db2.gz ORVSEZFBDKAZBN-TZMCWYRMSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[N@@H+](C1CCOCC1)[C@@H]1CCN[C@H](C)C1 ZINC001246985039 988816695 /nfs/dbraw/zinc/81/66/95/988816695.db2.gz ORVSEZFBDKAZBN-TZMCWYRMSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH2+][C@H](C)CCN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC001325744816 989247372 /nfs/dbraw/zinc/24/73/72/989247372.db2.gz VLUVJVCFFQDBJZ-AGIUHOORSA-N 1 3 242.407 2.166 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC001119699008 989346044 /nfs/dbraw/zinc/34/60/44/989346044.db2.gz GZKJDUKXRPRXJD-KVSVUVNWSA-N 1 3 222.376 2.151 20 0 BEADHO CSCC[C@H](C)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258223795 991156308 /nfs/dbraw/zinc/15/63/08/991156308.db2.gz FIJPJGUOIDYLBD-YNEHKIRRSA-N 1 3 242.432 2.012 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC001308985544 991252336 /nfs/dbraw/zinc/25/23/36/991252336.db2.gz XPHWJMXSDNKKLN-LIADABEKSA-N 1 3 248.414 2.351 20 0 BEADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1cccnc1 ZINC001258613068 991537018 /nfs/dbraw/zinc/53/70/18/991537018.db2.gz LBDSTIKMJYAKFR-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1cccnc1 ZINC001258613068 991537030 /nfs/dbraw/zinc/53/70/30/991537030.db2.gz LBDSTIKMJYAKFR-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)N(CCC[NH3+])[C@H](C)Cc1cccnc1 ZINC001258613068 991537038 /nfs/dbraw/zinc/53/70/38/991537038.db2.gz LBDSTIKMJYAKFR-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO FC(F)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC001561047212 991703275 /nfs/dbraw/zinc/70/32/75/991703275.db2.gz JSONEPQXXURHIH-UHFFFAOYSA-N 1 3 232.318 2.106 20 0 BEADHO C[C@H]1CCC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819998 991840411 /nfs/dbraw/zinc/84/04/11/991840411.db2.gz JEKPQAPIGSKRIY-LJISPDSOSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H]1CCC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819998 991840416 /nfs/dbraw/zinc/84/04/16/991840416.db2.gz JEKPQAPIGSKRIY-LJISPDSOSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819996 991840636 /nfs/dbraw/zinc/84/06/36/991840636.db2.gz JEKPQAPIGSKRIY-APIJFGDWSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001258819996 991840639 /nfs/dbraw/zinc/84/06/39/991840639.db2.gz JEKPQAPIGSKRIY-APIJFGDWSA-N 1 3 236.403 2.449 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@@H](C)C1 ZINC001258907560 991897791 /nfs/dbraw/zinc/89/77/91/991897791.db2.gz KMVMPSHGQDNYJK-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccncc2)C1 ZINC001319691781 991938899 /nfs/dbraw/zinc/93/88/99/991938899.db2.gz VCKDOFBSUNGTAP-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001261370808 992275387 /nfs/dbraw/zinc/27/53/87/992275387.db2.gz VCIGDOPNIOYFCQ-MNOVXSKESA-N 1 3 218.344 2.001 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)[C@@H]2C1 ZINC001474756469 992512721 /nfs/dbraw/zinc/51/27/21/992512721.db2.gz GSWPMXFINWBMHY-JARUQAPTSA-N 1 3 234.387 2.105 20 0 BEADHO CC(C)(C)OC1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC001573469478 992615860 /nfs/dbraw/zinc/61/58/60/992615860.db2.gz PWRKWVOBFKUARZ-OTTFEQOBSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc[nH]1 ZINC001262364340 992860063 /nfs/dbraw/zinc/86/00/63/992860063.db2.gz UBIBHJHQWPDLRW-ODWCKFRGSA-N 1 3 233.359 2.291 20 0 BEADHO C(C1CCC1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001574774987 992900662 /nfs/dbraw/zinc/90/06/62/992900662.db2.gz SIWCOGSEKYFQMI-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO C(C1CCC1)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001574774987 992900673 /nfs/dbraw/zinc/90/06/73/992900673.db2.gz SIWCOGSEKYFQMI-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO C(C1CCC1)[N@H+]1CCCC[C@]12CCCNC2 ZINC001574774987 992900683 /nfs/dbraw/zinc/90/06/83/992900683.db2.gz SIWCOGSEKYFQMI-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO C1C[C@H]2CC[C@@H](N[C@]34CCC[C@H]3[NH2+]CC4)[C@H]2C1 ZINC001574816451 992917380 /nfs/dbraw/zinc/91/73/80/992917380.db2.gz FKTARWNCTIRFBD-AHDPXTMNSA-N 1 3 234.387 2.439 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1O ZINC001575131078 992994263 /nfs/dbraw/zinc/99/42/63/992994263.db2.gz SFJJPJQTKQXKSP-YNEHKIRRSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccncc1 ZINC001262671529 993012925 /nfs/dbraw/zinc/01/29/25/993012925.db2.gz IYBIUDJHOOKODO-MGPQQGTHSA-N 1 3 247.386 2.282 20 0 BEADHO CC(C)(N)c1cc(C[NH2+]C[C@]23C[C@H]2CCC3)on1 ZINC001575365431 993023948 /nfs/dbraw/zinc/02/39/48/993023948.db2.gz IZCKFMSUZINFJC-YGRLFVJLSA-N 1 3 249.358 2.148 20 0 BEADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001575423818 993041791 /nfs/dbraw/zinc/04/17/91/993041791.db2.gz YPBYGDFYDFQJPZ-ZIAGYGMSSA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001575423818 993041799 /nfs/dbraw/zinc/04/17/99/993041799.db2.gz YPBYGDFYDFQJPZ-ZIAGYGMSSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@H](C[NH3+])CNC/C=C/c1cccc(F)c1 ZINC001575987487 993150613 /nfs/dbraw/zinc/15/06/13/993150613.db2.gz HVBLPFQIEFKTEK-JOAKQRRISA-N 1 3 222.307 2.023 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C/C=C/C1CC1 ZINC000379287573 993240111 /nfs/dbraw/zinc/24/01/11/993240111.db2.gz HTJDQOZOPFIPOP-HORCIZIBSA-N 1 3 208.349 2.060 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C/C1CC1 ZINC000379287573 993240121 /nfs/dbraw/zinc/24/01/21/993240121.db2.gz HTJDQOZOPFIPOP-HORCIZIBSA-N 1 3 208.349 2.060 20 0 BEADHO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000380075544 993312483 /nfs/dbraw/zinc/31/24/83/993312483.db2.gz RBXVCOGWQJIWAM-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000380075544 993312490 /nfs/dbraw/zinc/31/24/90/993312490.db2.gz RBXVCOGWQJIWAM-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@H]1NCC[C@@H]1[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001576589035 993359298 /nfs/dbraw/zinc/35/92/98/993359298.db2.gz JYBWYRSPHTXCHH-UZWSLXQKSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC12CCC(CC1)C2 ZINC001576608556 993367164 /nfs/dbraw/zinc/36/71/64/993367164.db2.gz UNJIQEHAFMBHIZ-AHPWVWPOSA-N 1 3 222.376 2.378 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608556 993367182 /nfs/dbraw/zinc/36/71/82/993367182.db2.gz UNJIQEHAFMBHIZ-AHPWVWPOSA-N 1 3 222.376 2.378 20 0 BEADHO CCC(CC)(CN)C[NH2+]CCc1cccnc1C ZINC001577051839 993491232 /nfs/dbraw/zinc/49/12/32/993491232.db2.gz BLELYEQEUTZFBV-UHFFFAOYSA-N 1 3 249.402 2.287 20 0 BEADHO C[C@@H](Cc1ccco1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC000383652642 993507316 /nfs/dbraw/zinc/50/73/16/993507316.db2.gz DVOCYRQVWNACQJ-STQMWFEESA-N 1 3 236.359 2.271 20 0 BEADHO C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@@H](CN)C1 ZINC000383652642 993507324 /nfs/dbraw/zinc/50/73/24/993507324.db2.gz DVOCYRQVWNACQJ-STQMWFEESA-N 1 3 236.359 2.271 20 0 BEADHO C[C@@H](Cc1ccco1)N1CCCC[C@@H](C[NH3+])C1 ZINC000383652642 993507336 /nfs/dbraw/zinc/50/73/36/993507336.db2.gz DVOCYRQVWNACQJ-STQMWFEESA-N 1 3 236.359 2.271 20 0 BEADHO CCC(N)(CC)C[NH2+]CC1(OC)CCCCC1 ZINC001577109636 993508762 /nfs/dbraw/zinc/50/87/62/993508762.db2.gz RRTSWLVRNLUTPR-UHFFFAOYSA-N 1 3 242.407 2.443 20 0 BEADHO CC[C@H]([NH3+])CNC1CC(C)(c2ccccc2)C1 ZINC001577124570 993509616 /nfs/dbraw/zinc/50/96/16/993509616.db2.gz IQIBDWYHBZVZJW-NFOMZHRRSA-N 1 3 232.371 2.434 20 0 BEADHO C[C@@H]1C[C@H](N2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795775 994050415 /nfs/dbraw/zinc/05/04/15/994050415.db2.gz CHWSYCCGNRHLSC-GHMZBOCLSA-N 1 3 232.318 2.248 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1(C)CC1 ZINC000822125226 994418016 /nfs/dbraw/zinc/41/80/16/994418016.db2.gz RYOJCQFGHWWNOL-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCc2ccccc21 ZINC001334389930 994588298 /nfs/dbraw/zinc/58/82/98/994588298.db2.gz KJPHHWZTUQXFDS-DUVNUKRYSA-N 1 3 244.382 2.447 20 0 BEADHO C[N@@H+]1CCN(c2ccncc2)CCC1(C)C ZINC001336935347 995124880 /nfs/dbraw/zinc/12/48/80/995124880.db2.gz YGPSVZSKGPVRNT-UHFFFAOYSA-N 1 3 219.332 2.002 20 0 BEADHO C[N@H+]1CCN(c2ccncc2)CCC1(C)C ZINC001336935347 995124886 /nfs/dbraw/zinc/12/48/86/995124886.db2.gz YGPSVZSKGPVRNT-UHFFFAOYSA-N 1 3 219.332 2.002 20 0 BEADHO CC1(C[NH2+]C[C@H]2CN3CCC2CC3)CCC1 ZINC001621551229 1170163681 /nfs/dbraw/zinc/16/36/81/1170163681.db2.gz AQNBIBDJOJRSRT-ZDUSSCGKSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001621108270 1170715701 /nfs/dbraw/zinc/71/57/01/1170715701.db2.gz KWWHDXMPDBDEPF-UXXRCYHCSA-N 1 3 236.403 2.495 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCCCC3)[C@@H]2C1 ZINC001621107917 1170717227 /nfs/dbraw/zinc/71/72/27/1170717227.db2.gz CQWDGDSIFGGARO-YUTCNCBUSA-N 1 3 222.376 2.249 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC34CCC4)[C@@H]2C1 ZINC001621570234 1170857137 /nfs/dbraw/zinc/85/71/37/1170857137.db2.gz NZOXIQQEMNPGEH-CRWXNKLISA-N 1 3 234.387 2.249 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)[C@H]1CCCO1 ZINC001621573887 1170858360 /nfs/dbraw/zinc/85/83/60/1170858360.db2.gz VVDWTFRHROQINK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC001621573887 1170858368 /nfs/dbraw/zinc/85/83/68/1170858368.db2.gz VVDWTFRHROQINK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCNCC1 ZINC000038041383 1171008415 /nfs/dbraw/zinc/00/84/15/1171008415.db2.gz ZIOIXNQDFCIJAY-LBPRGKRZSA-N 1 3 248.370 2.055 20 0 BEADHO C[C@H](Cc1ccco1)[NH2+]CCCN1CCCC1 ZINC000049332599 1171689253 /nfs/dbraw/zinc/68/92/53/1171689253.db2.gz WAKUHRZADGYJDP-CYBMUJFWSA-N 1 3 236.359 2.286 20 0 BEADHO C[C@H](Cc1ccco1)NCCC[NH+]1CCCC1 ZINC000049332599 1171689258 /nfs/dbraw/zinc/68/92/58/1171689258.db2.gz WAKUHRZADGYJDP-CYBMUJFWSA-N 1 3 236.359 2.286 20 0 BEADHO CNCC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000052346744 1171956663 /nfs/dbraw/zinc/95/66/63/1171956663.db2.gz SQWUMYCYNZMVLN-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CNCC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC000052346744 1171956678 /nfs/dbraw/zinc/95/66/78/1171956678.db2.gz SQWUMYCYNZMVLN-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCCC1CCN([C@@H](C)CC[NH2+]C)CC1 ZINC000052373912 1171961156 /nfs/dbraw/zinc/96/11/56/1171961156.db2.gz IHUSVONTTXWFEA-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000422942355 398159238 /nfs/dbraw/zinc/15/92/38/398159238.db2.gz PLDJAMFYQPESSH-ZJUUUORDSA-N 1 3 233.359 2.298 20 0 BEADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cs1 ZINC000296661625 178006533 /nfs/dbraw/zinc/00/65/33/178006533.db2.gz FEFSWFVLMFLCPT-BETUJISGSA-N 1 3 236.384 2.050 20 0 BEADHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cs1 ZINC000296661625 178006535 /nfs/dbraw/zinc/00/65/35/178006535.db2.gz FEFSWFVLMFLCPT-BETUJISGSA-N 1 3 236.384 2.050 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000415012710 398153584 /nfs/dbraw/zinc/15/35/84/398153584.db2.gz UCNQQAFBRVAECK-NEPJUHHUSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000422942353 398159904 /nfs/dbraw/zinc/15/99/04/398159904.db2.gz PLDJAMFYQPESSH-UWVGGRQHSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422976840 398161115 /nfs/dbraw/zinc/16/11/15/398161115.db2.gz VQBKKHYNAZVXCW-HZSPNIEDSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423020524 398161977 /nfs/dbraw/zinc/16/19/77/398161977.db2.gz BUGJMQATQBEHBK-RVMXOQNASA-N 1 3 242.407 2.296 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336696016 398194154 /nfs/dbraw/zinc/19/41/54/398194154.db2.gz LWLTWNFHCPMIDC-QNWHQSFQSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336696016 398194157 /nfs/dbraw/zinc/19/41/57/398194157.db2.gz LWLTWNFHCPMIDC-QNWHQSFQSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H](NC[C@@H](C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000386090443 398197673 /nfs/dbraw/zinc/19/76/73/398197673.db2.gz IBILQXKYVZLGMM-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(NCCN2CCCCC2)cc[nH+]1 ZINC000229565386 178161564 /nfs/dbraw/zinc/16/15/64/178161564.db2.gz MFMHVSDERRYMLW-UHFFFAOYSA-N 1 3 219.332 2.288 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000576458088 365600865 /nfs/dbraw/zinc/60/08/65/365600865.db2.gz IEDJYQUGLXFICV-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO Fc1ccc(CNCC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000259047498 349542994 /nfs/dbraw/zinc/54/29/94/349542994.db2.gz QAQWMZIAZNNKIS-JTQLQIEISA-N 1 3 240.297 2.054 20 0 BEADHO CC(C)[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166562457 361851697 /nfs/dbraw/zinc/85/16/97/361851697.db2.gz FBUSIUYPLXFZER-GFCCVEGCSA-N 1 3 200.370 2.351 20 0 BEADHO C[C@@H](NCc1ccco1)C1CC[NH+](C)CC1 ZINC000037208433 538961912 /nfs/dbraw/zinc/96/19/12/538961912.db2.gz ASYZKBAXCIPCNA-LLVKDONJSA-N 1 3 222.332 2.100 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@H]1C ZINC000165715111 361844075 /nfs/dbraw/zinc/84/40/75/361844075.db2.gz CERARHALVOMXKN-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000382309833 361895229 /nfs/dbraw/zinc/89/52/29/361895229.db2.gz ICPILYPPTRBBKM-SRVKXCTJSA-N 1 3 246.345 2.481 20 0 BEADHO FC1(F)CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000383928828 539012352 /nfs/dbraw/zinc/01/23/52/539012352.db2.gz BHCOFLJHKWKGTD-GRYCIOLGSA-N 1 3 244.329 2.391 20 0 BEADHO FC1(F)CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000383928828 539012353 /nfs/dbraw/zinc/01/23/53/539012353.db2.gz BHCOFLJHKWKGTD-GRYCIOLGSA-N 1 3 244.329 2.391 20 0 BEADHO C/C=C/CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624199680 342843293 /nfs/dbraw/zinc/84/32/93/342843293.db2.gz VLZLVMVKNOOHOW-ZUEAMBOYSA-N 1 3 208.349 2.025 20 0 BEADHO C/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000624199680 342843295 /nfs/dbraw/zinc/84/32/95/342843295.db2.gz VLZLVMVKNOOHOW-ZUEAMBOYSA-N 1 3 208.349 2.025 20 0 BEADHO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C)CN ZINC000395092567 398299287 /nfs/dbraw/zinc/29/92/87/398299287.db2.gz AKLPFUDCGRHELJ-WDEREUQCSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000395092565 398299328 /nfs/dbraw/zinc/29/93/28/398299328.db2.gz AKLPFUDCGRHELJ-QWRGUYRKSA-N 1 3 200.370 2.386 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000232721180 342879455 /nfs/dbraw/zinc/87/94/55/342879455.db2.gz FELIBMYCWFOYPT-NWDGAFQWSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(C)C2)C1 ZINC000232830220 342886574 /nfs/dbraw/zinc/88/65/74/342886574.db2.gz ZEDGBAYOCCVKCL-CPCZMJQVSA-N 1 3 210.365 2.105 20 0 BEADHO CCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 ZINC000232883868 342887178 /nfs/dbraw/zinc/88/71/78/342887178.db2.gz RNHRJRVJKBCELJ-NEPJUHHUSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000580312082 346893315 /nfs/dbraw/zinc/89/33/15/346893315.db2.gz JBZXBBDNZIAQFR-QWRGUYRKSA-N 1 3 239.388 2.326 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000576814630 365690867 /nfs/dbraw/zinc/69/08/67/365690867.db2.gz FXMNNLJGFDILLL-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000678083524 488193991 /nfs/dbraw/zinc/19/39/91/488193991.db2.gz KHYQTPMZQLJZIG-MNOVXSKESA-N 1 3 232.318 2.058 20 0 BEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000678083524 488193995 /nfs/dbraw/zinc/19/39/95/488193995.db2.gz KHYQTPMZQLJZIG-MNOVXSKESA-N 1 3 232.318 2.058 20 0 BEADHO CC[C@H](NC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000382792374 343032499 /nfs/dbraw/zinc/03/24/99/343032499.db2.gz QCLBXFIHWKPFNT-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CCCN1)C1CCCC1 ZINC000382792374 343032500 /nfs/dbraw/zinc/03/25/00/343032500.db2.gz QCLBXFIHWKPFNT-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO COCCC(C)(C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386468231 343066264 /nfs/dbraw/zinc/06/62/64/343066264.db2.gz QCCSVSIAFMCKPI-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247116294 343077032 /nfs/dbraw/zinc/07/70/32/343077032.db2.gz AHGYQMWZVZSQAH-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247116294 343077034 /nfs/dbraw/zinc/07/70/34/343077034.db2.gz AHGYQMWZVZSQAH-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247116294 343077035 /nfs/dbraw/zinc/07/70/35/343077035.db2.gz AHGYQMWZVZSQAH-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247116294 343077037 /nfs/dbraw/zinc/07/70/37/343077037.db2.gz AHGYQMWZVZSQAH-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)c1 ZINC000093215806 343150893 /nfs/dbraw/zinc/15/08/93/343150893.db2.gz NDSSOEYVZJXMRE-CABCVRRESA-N 1 3 232.371 2.397 20 0 BEADHO Cc1cccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093215806 343150895 /nfs/dbraw/zinc/15/08/95/343150895.db2.gz NDSSOEYVZJXMRE-CABCVRRESA-N 1 3 232.371 2.397 20 0 BEADHO C[N@H+](CC1CCCC1)C[C@@H]1CCCNC1 ZINC000082492407 136276530 /nfs/dbraw/zinc/27/65/30/136276530.db2.gz GAZHKTJRXXRCKO-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCCNC1 ZINC000082492407 136276531 /nfs/dbraw/zinc/27/65/31/136276531.db2.gz GAZHKTJRXXRCKO-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000082491018 136276660 /nfs/dbraw/zinc/27/66/60/136276660.db2.gz RBZPORVMSMJMKQ-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO COC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)C(C)C ZINC000132145333 343187598 /nfs/dbraw/zinc/18/75/98/343187598.db2.gz QLNLWLKGTYEBDZ-ZNMIVQPWSA-N 1 3 248.370 2.392 20 0 BEADHO Cc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000581997323 343190906 /nfs/dbraw/zinc/19/09/06/343190906.db2.gz WOCVBBBMJKYFMA-SMDDNHRTSA-N 1 3 236.359 2.108 20 0 BEADHO Cc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000581997322 343191113 /nfs/dbraw/zinc/19/11/13/343191113.db2.gz WOCVBBBMJKYFMA-RISCZKNCSA-N 1 3 236.359 2.108 20 0 BEADHO CCN(CC)CCC[NH2+]C1Cc2ccccc2C1 ZINC000035657918 343301441 /nfs/dbraw/zinc/30/14/41/343301441.db2.gz JWUOWOWYQYUPOD-UHFFFAOYSA-N 1 3 246.398 2.475 20 0 BEADHO CC[NH+](CC)CCCNC1Cc2ccccc2C1 ZINC000035657918 343301443 /nfs/dbraw/zinc/30/14/43/343301443.db2.gz JWUOWOWYQYUPOD-UHFFFAOYSA-N 1 3 246.398 2.475 20 0 BEADHO CN1CCC(Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000037141177 343336342 /nfs/dbraw/zinc/33/63/42/343336342.db2.gz OBCLBTSFZNFCQU-UHFFFAOYSA-N 1 3 247.386 2.254 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCSC2)C[C@@H]1CN ZINC000397252917 323043074 /nfs/dbraw/zinc/04/30/74/323043074.db2.gz DHOZJYSHRXSKHC-XQHKEYJVSA-N 1 3 242.432 2.045 20 0 BEADHO Fc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000037408269 343344796 /nfs/dbraw/zinc/34/47/96/343344796.db2.gz LBVAKXUODGOHIA-CYBMUJFWSA-N 1 3 248.345 2.400 20 0 BEADHO CC[C@@H]1CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501542 259360450 /nfs/dbraw/zinc/36/04/50/259360450.db2.gz BHVMEHSVEQMXNE-TUVASFSCSA-N 1 3 236.403 2.354 20 0 BEADHO CC(C)=CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335725612 136346886 /nfs/dbraw/zinc/34/68/86/136346886.db2.gz JLBMWRILPSOCTP-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CC(C)=CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335725612 136346887 /nfs/dbraw/zinc/34/68/87/136346887.db2.gz JLBMWRILPSOCTP-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CC1=C[C@H](C)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000335891850 136358725 /nfs/dbraw/zinc/35/87/25/136358725.db2.gz AYVKIMNBQWTOCX-JSGCOSHPSA-N 1 3 222.376 2.369 20 0 BEADHO CC1=C[C@H](C)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000335891850 136358726 /nfs/dbraw/zinc/35/87/26/136358726.db2.gz AYVKIMNBQWTOCX-JSGCOSHPSA-N 1 3 222.376 2.369 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1N ZINC000258748559 136373913 /nfs/dbraw/zinc/37/39/13/136373913.db2.gz ACCZTTQNTQRXLG-NXEZZACHSA-N 1 3 210.346 2.026 20 0 BEADHO c1ccc(SCC[NH2+]C2CCNCC2)cc1 ZINC000038041574 187262603 /nfs/dbraw/zinc/26/26/03/187262603.db2.gz YGCWKZLIZYUCCH-UHFFFAOYSA-N 1 3 236.384 2.120 20 0 BEADHO C[C@@H]1CC[N@H+](CCC2CCC2)C[C@@H]1CN ZINC000398701232 488222337 /nfs/dbraw/zinc/22/23/37/488222337.db2.gz KBUWTBZEIMGUGB-YPMHNXCESA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1CN ZINC000398701232 488222339 /nfs/dbraw/zinc/22/23/39/488222339.db2.gz KBUWTBZEIMGUGB-YPMHNXCESA-N 1 3 210.365 2.093 20 0 BEADHO C/C=C/CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000384648549 343702204 /nfs/dbraw/zinc/70/22/04/343702204.db2.gz ABXPOWKYNNQWGV-APGKFWSWSA-N 1 3 208.349 2.073 20 0 BEADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)s1 ZINC000044527731 343781490 /nfs/dbraw/zinc/78/14/90/343781490.db2.gz XLGIBSYEMBNIGU-NSHDSACASA-N 1 3 224.373 2.227 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336683342 537822740 /nfs/dbraw/zinc/82/27/40/537822740.db2.gz JWCCTHOVFKOZFR-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](CNCCC[NH+]1CCCCC1)OC ZINC000395157406 362281834 /nfs/dbraw/zinc/28/18/34/362281834.db2.gz CLMSTTHAOICXLP-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733660 344113951 /nfs/dbraw/zinc/11/39/51/344113951.db2.gz KUFJKPATNQWJLU-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000128602540 187285908 /nfs/dbraw/zinc/28/59/08/187285908.db2.gz DIFWHHWQDABYPI-GRYCIOLGSA-N 1 3 210.365 2.282 20 0 BEADHO COc1cccc2c1CCC[C@@H]2[NH2+]CC(C)(C)N ZINC000518359996 344210821 /nfs/dbraw/zinc/21/08/21/344210821.db2.gz MALXQCFBOHOBFL-ZDUSSCGKSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)CCCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622003958 344181420 /nfs/dbraw/zinc/18/14/20/344181420.db2.gz IGJPUIZTOJRVPK-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093210444 344312117 /nfs/dbraw/zinc/31/21/17/344312117.db2.gz JPLZWDBXRKWRSG-AGIUHOORSA-N 1 3 236.359 2.460 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093210444 344312119 /nfs/dbraw/zinc/31/21/19/344312119.db2.gz JPLZWDBXRKWRSG-AGIUHOORSA-N 1 3 236.359 2.460 20 0 BEADHO C[C@H](C[NH2+]C1CCNCC1)c1ccc(F)cc1 ZINC000215653998 344392932 /nfs/dbraw/zinc/39/29/32/344392932.db2.gz IBXGYPALLSACIH-LLVKDONJSA-N 1 3 236.334 2.271 20 0 BEADHO C[C@H](CNC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000215653998 344392935 /nfs/dbraw/zinc/39/29/35/344392935.db2.gz IBXGYPALLSACIH-LLVKDONJSA-N 1 3 236.334 2.271 20 0 BEADHO CC(C)C[N@H+](C[C@@H]1CCCNC1)C(C)C ZINC000042593431 344460104 /nfs/dbraw/zinc/46/01/04/344460104.db2.gz POOFNXBDROAKNQ-CYBMUJFWSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)C[N@@H+](C[C@@H]1CCCNC1)C(C)C ZINC000042593431 344460107 /nfs/dbraw/zinc/46/01/07/344460107.db2.gz POOFNXBDROAKNQ-CYBMUJFWSA-N 1 3 212.381 2.352 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336778533 537851613 /nfs/dbraw/zinc/85/16/13/537851613.db2.gz LOBBXXCXFLHMLM-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](N)C(C)C)s1 ZINC000050226803 344743018 /nfs/dbraw/zinc/74/30/18/344743018.db2.gz VPSOVVSPHKRLQI-NSHDSACASA-N 1 3 212.362 2.129 20 0 BEADHO CC(C)[N@H+](C[C@@H]1CCCNC1)C1CCC1 ZINC000226438875 187297741 /nfs/dbraw/zinc/29/77/41/187297741.db2.gz JIPCKVPNJISPOK-GFCCVEGCSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[N@@H+](C[C@@H]1CCCNC1)C1CCC1 ZINC000226438875 187297742 /nfs/dbraw/zinc/29/77/42/187297742.db2.gz JIPCKVPNJISPOK-GFCCVEGCSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC12CC(C1)C[NH2+]2 ZINC000634993400 345190708 /nfs/dbraw/zinc/19/07/08/345190708.db2.gz SZDBDWLWLYZWFG-YPHRVZEWSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC12CC(C1)CN2 ZINC000634993400 345190711 /nfs/dbraw/zinc/19/07/11/345190711.db2.gz SZDBDWLWLYZWFG-YPHRVZEWSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC12CC(C1)CN2 ZINC000634993400 345190713 /nfs/dbraw/zinc/19/07/13/345190713.db2.gz SZDBDWLWLYZWFG-YPHRVZEWSA-N 1 3 234.387 2.391 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024328 345224820 /nfs/dbraw/zinc/22/48/20/345224820.db2.gz WLOHBQLNPJQIOG-ZIAGYGMSSA-N 1 3 241.338 2.204 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCCC12CC2 ZINC000634997611 345197524 /nfs/dbraw/zinc/19/75/24/345197524.db2.gz OZHRGDSBCCWAAX-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CCc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998170 345197597 /nfs/dbraw/zinc/19/75/97/345197597.db2.gz BTJGHYYNNDMFQW-WDEREUQCSA-N 1 3 238.400 2.337 20 0 BEADHO C[C@@H](N[C@@H]1CCCC12CC2)[C@@H]1CCCC[NH2+]1 ZINC000635003285 345205311 /nfs/dbraw/zinc/20/53/11/345205311.db2.gz HTYBMDQOTWSZSA-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](N[C@H]1CCCC12CC2)[C@@H]1CCCC[NH2+]1 ZINC000635003283 345205796 /nfs/dbraw/zinc/20/57/96/345205796.db2.gz HTYBMDQOTWSZSA-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H](N[C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000635004482 345207960 /nfs/dbraw/zinc/20/79/60/345207960.db2.gz PFSUHTUTAFZJAG-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000635004482 345207964 /nfs/dbraw/zinc/20/79/64/345207964.db2.gz PFSUHTUTAFZJAG-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004842 345208286 /nfs/dbraw/zinc/20/82/86/345208286.db2.gz QCEMGZAFMDUXDS-XQQFMLRXSA-N 1 3 222.376 2.426 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004843 345208627 /nfs/dbraw/zinc/20/86/27/345208627.db2.gz QCEMGZAFMDUXDS-YNEHKIRRSA-N 1 3 222.376 2.426 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC000162089454 345260294 /nfs/dbraw/zinc/26/02/94/345260294.db2.gz IWNCHVWOEANBIM-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1C[NH3+] ZINC000252701814 345580179 /nfs/dbraw/zinc/58/01/79/345580179.db2.gz FKMJKEQHUVZBJG-GXTWGEPZSA-N 1 3 218.344 2.103 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CCCC1 ZINC000088162886 133551549 /nfs/dbraw/zinc/55/15/49/133551549.db2.gz LOBYTSRXOANCBY-WCFLWFBJSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000319086439 259384062 /nfs/dbraw/zinc/38/40/62/259384062.db2.gz CFDFSSKWACRCEZ-WUHRBBMRSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H]1CCN(CCC[N@@H+]2CC[C@H](C)C2)C1 ZINC000137675704 345685103 /nfs/dbraw/zinc/68/51/03/345685103.db2.gz JSFSIQWVRIGBLS-STQMWFEESA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H]1CCN(CCC[N@H+]2CC[C@H](C)C2)C1 ZINC000137675704 345685104 /nfs/dbraw/zinc/68/51/04/345685104.db2.gz JSFSIQWVRIGBLS-STQMWFEESA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H](C[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000216204929 345743753 /nfs/dbraw/zinc/74/37/53/345743753.db2.gz UTEIADLNYIZXMM-CYBMUJFWSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@H](C[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000216204929 345743755 /nfs/dbraw/zinc/74/37/55/345743755.db2.gz UTEIADLNYIZXMM-CYBMUJFWSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@H](CN(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000216204929 345743759 /nfs/dbraw/zinc/74/37/59/345743759.db2.gz UTEIADLNYIZXMM-CYBMUJFWSA-N 1 3 232.371 2.474 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000230604186 345751714 /nfs/dbraw/zinc/75/17/14/345751714.db2.gz DRRWBJXDYPQJHY-JOYOIKCWSA-N 1 3 210.296 2.214 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300358575 345852557 /nfs/dbraw/zinc/85/25/57/345852557.db2.gz IPVXRFFYDJXAEH-UPJWGTAASA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300358575 345852559 /nfs/dbraw/zinc/85/25/59/345852559.db2.gz IPVXRFFYDJXAEH-UPJWGTAASA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300358575 345852561 /nfs/dbraw/zinc/85/25/61/345852561.db2.gz IPVXRFFYDJXAEH-UPJWGTAASA-N 1 3 222.376 2.249 20 0 BEADHO c1ccc2c(C[NH2+]C3CCNCC3)ccnc2c1 ZINC000141200775 345860162 /nfs/dbraw/zinc/86/01/62/345860162.db2.gz VAFYKQFMGPCBKN-UHFFFAOYSA-N 1 3 241.338 2.076 20 0 BEADHO CC(C)(C[NH2+]C1CCNCC1)c1ccccc1 ZINC000038041578 187317962 /nfs/dbraw/zinc/31/79/62/187317962.db2.gz OTHMGZAGHHXPLO-UHFFFAOYSA-N 1 3 232.371 2.306 20 0 BEADHO CC(C)(CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038041578 187317964 /nfs/dbraw/zinc/31/79/64/187317964.db2.gz OTHMGZAGHHXPLO-UHFFFAOYSA-N 1 3 232.371 2.306 20 0 BEADHO C1CC([NH2+]C2C3CC4CC(C3)CC2C4)CCN1 ZINC000038041175 187318242 /nfs/dbraw/zinc/31/82/42/187318242.db2.gz GWDFQLAGUUNRFK-UHFFFAOYSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000669378418 537965604 /nfs/dbraw/zinc/96/56/04/537965604.db2.gz DOEIRAGADRROJI-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCNC1 ZINC000669378418 537965608 /nfs/dbraw/zinc/96/56/08/537965608.db2.gz DOEIRAGADRROJI-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCNC1 ZINC000669378418 537965613 /nfs/dbraw/zinc/96/56/13/537965613.db2.gz DOEIRAGADRROJI-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO c1coc(CC[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000155936691 346356664 /nfs/dbraw/zinc/35/66/64/346356664.db2.gz QQOUXVRKCKJMQT-UHFFFAOYSA-N 1 3 248.370 2.286 20 0 BEADHO c1coc(CCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000155936691 346356668 /nfs/dbraw/zinc/35/66/68/346356668.db2.gz QQOUXVRKCKJMQT-UHFFFAOYSA-N 1 3 248.370 2.286 20 0 BEADHO CC1(C)CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000669378802 537971375 /nfs/dbraw/zinc/97/13/75/537971375.db2.gz NWLVUTACWKBOKG-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CC[NH+](C[C@H]2CCCCNC2)CC1 ZINC000669378802 537971378 /nfs/dbraw/zinc/97/13/78/537971378.db2.gz NWLVUTACWKBOKG-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC[N@H+](CC(C)C)C[C@H]1CCCCNC1 ZINC000669379131 537975899 /nfs/dbraw/zinc/97/58/99/537975899.db2.gz SXGIUQIZMWBNFK-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC[N@@H+](CC(C)C)C[C@H]1CCCCNC1 ZINC000669379131 537975901 /nfs/dbraw/zinc/97/59/01/537975901.db2.gz SXGIUQIZMWBNFK-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1cccc(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000235915346 179081705 /nfs/dbraw/zinc/08/17/05/179081705.db2.gz IBBDOPVYVFBESL-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@@](C)(CN)C2)c1 ZINC000235915346 179081707 /nfs/dbraw/zinc/08/17/07/179081707.db2.gz IBBDOPVYVFBESL-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@@](C)(CN)C2)c1 ZINC000235915346 179081708 /nfs/dbraw/zinc/08/17/08/179081708.db2.gz IBBDOPVYVFBESL-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(CN2CCC[C@H](C[NH3+])C2)c1C ZINC000044528079 179076652 /nfs/dbraw/zinc/07/66/52/179076652.db2.gz JYHYNDJJZHCBIO-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000122345038 179082632 /nfs/dbraw/zinc/08/26/32/179082632.db2.gz UKQFXGDBFGXMLS-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)c1 ZINC000122345038 179082635 /nfs/dbraw/zinc/08/26/35/179082635.db2.gz UKQFXGDBFGXMLS-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)c1 ZINC000122345038 179082637 /nfs/dbraw/zinc/08/26/37/179082637.db2.gz UKQFXGDBFGXMLS-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](CN)C1CC1 ZINC000580062459 346502276 /nfs/dbraw/zinc/50/22/76/346502276.db2.gz FCJBLANSYTWOKO-BXUZGUMPSA-N 1 3 248.370 2.392 20 0 BEADHO COc1cc(C)cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000577124169 365828952 /nfs/dbraw/zinc/82/89/52/365828952.db2.gz IUUAMHIAKPQZGR-KGLIPLIRSA-N 1 3 248.370 2.363 20 0 BEADHO COc1cc(C)cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000577124170 365829195 /nfs/dbraw/zinc/82/91/95/365829195.db2.gz IUUAMHIAKPQZGR-UONOGXRCSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccsc1 ZINC000580182192 346621761 /nfs/dbraw/zinc/62/17/61/346621761.db2.gz RYMZVISCZDSYNX-AXFHLTTASA-N 1 3 226.389 2.395 20 0 BEADHO CSCC[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC000158593572 346607512 /nfs/dbraw/zinc/60/75/12/346607512.db2.gz TWDQYWZOJIZKNF-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000158593572 346607514 /nfs/dbraw/zinc/60/75/14/346607514.db2.gz TWDQYWZOJIZKNF-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000158593572 346607517 /nfs/dbraw/zinc/60/75/17/346607517.db2.gz TWDQYWZOJIZKNF-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000252699704 346780311 /nfs/dbraw/zinc/78/03/11/346780311.db2.gz VTIFYBOKHPLFSV-AGIUHOORSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H](CN)C[C@H]1C ZINC000252699704 346780315 /nfs/dbraw/zinc/78/03/15/346780315.db2.gz VTIFYBOKHPLFSV-AGIUHOORSA-N 1 3 218.344 2.417 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000378669428 346803469 /nfs/dbraw/zinc/80/34/69/346803469.db2.gz IVJMFMAPYMNJAY-BFHYXJOUSA-N 1 3 220.360 2.027 20 0 BEADHO CC(C)(C)CCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622003472 370654487 /nfs/dbraw/zinc/65/44/87/370654487.db2.gz AGMNJRNFQMNLGX-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CCC[C@H](C)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004476 370656178 /nfs/dbraw/zinc/65/61/78/370656178.db2.gz PGYLMEFOGKNULV-XQQFMLRXSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000388007555 347152144 /nfs/dbraw/zinc/15/21/44/347152144.db2.gz NAYDPHXIWLRMBS-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CO[C@H](C)C1 ZINC000402170016 349975490 /nfs/dbraw/zinc/97/54/90/349975490.db2.gz UVDCBERDHIHEAS-YIYPIFLZSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CO[C@@H](C)C1 ZINC000402170018 349975769 /nfs/dbraw/zinc/97/57/69/349975769.db2.gz UVDCBERDHIHEAS-ZOBORPQBSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@@H](NC[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000382792379 347418457 /nfs/dbraw/zinc/41/84/57/347418457.db2.gz QCLBXFIHWKPFNT-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCCC1 ZINC000382792379 347418459 /nfs/dbraw/zinc/41/84/59/347418459.db2.gz QCLBXFIHWKPFNT-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](c1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251167583 362842410 /nfs/dbraw/zinc/84/24/10/362842410.db2.gz BCXCOULHNIDEGW-SOUVJXGZSA-N 1 3 230.355 2.289 20 0 BEADHO Cc1ccccc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229061757 179272986 /nfs/dbraw/zinc/27/29/86/179272986.db2.gz DVWDWYGCPMUCEO-HIFRSBDPSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000229061757 179272987 /nfs/dbraw/zinc/27/29/87/179272987.db2.gz DVWDWYGCPMUCEO-HIFRSBDPSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000229061757 179272988 /nfs/dbraw/zinc/27/29/88/179272988.db2.gz DVWDWYGCPMUCEO-HIFRSBDPSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229061773 179275900 /nfs/dbraw/zinc/27/59/00/179275900.db2.gz DVWDWYGCPMUCEO-ZFWWWQNUSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000229061773 179275902 /nfs/dbraw/zinc/27/59/02/179275902.db2.gz DVWDWYGCPMUCEO-ZFWWWQNUSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000229061773 179275903 /nfs/dbraw/zinc/27/59/03/179275903.db2.gz DVWDWYGCPMUCEO-ZFWWWQNUSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049712975 179276973 /nfs/dbraw/zinc/27/69/73/179276973.db2.gz RYRFEPQYAFWMQG-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1nc(C)c([C@@H](C)NC[C@H](C)C[NH3+])s1 ZINC000054345901 347771225 /nfs/dbraw/zinc/77/12/25/347771225.db2.gz YSEXKBLJRHFAAW-HTQZYQBOSA-N 1 3 227.377 2.005 20 0 BEADHO CCN(CC)CCC[N@H+](CC)CCSC ZINC000592205490 347756849 /nfs/dbraw/zinc/75/68/49/347756849.db2.gz ZWBYHZQNOJEVCC-UHFFFAOYSA-N 1 3 232.437 2.403 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)CCSC ZINC000592205490 347756852 /nfs/dbraw/zinc/75/68/52/347756852.db2.gz ZWBYHZQNOJEVCC-UHFFFAOYSA-N 1 3 232.437 2.403 20 0 BEADHO CCS[C@@H]1CC[C@@H](N(C)C[C@@H]2CC[NH2+]C2)C1 ZINC000592476773 347791372 /nfs/dbraw/zinc/79/13/72/347791372.db2.gz YQOSOLKYZUKUQU-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO COC[C@H]([NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CC1 ZINC000397299174 348043880 /nfs/dbraw/zinc/04/38/80/348043880.db2.gz CTTVNRIDWFBGHJ-ILXRZTDVSA-N 1 3 246.354 2.146 20 0 BEADHO COC1([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)CCCC1 ZINC000421853138 192389895 /nfs/dbraw/zinc/38/98/95/192389895.db2.gz IPHBFUOETMMYHM-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250483678 349171261 /nfs/dbraw/zinc/17/12/61/349171261.db2.gz DEMWUSNSSPWNMW-STQMWFEESA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)C1CNC1 ZINC000530213025 323216759 /nfs/dbraw/zinc/21/67/59/323216759.db2.gz SVJNWYXFWPQLLM-LLVKDONJSA-N 1 3 236.403 2.400 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000388623666 349274484 /nfs/dbraw/zinc/27/44/84/349274484.db2.gz HZXHLGKKUQGSRF-XQHKEYJVSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000388634452 349279105 /nfs/dbraw/zinc/27/91/05/349279105.db2.gz MEHMUEDDJOQREN-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000070643537 350035997 /nfs/dbraw/zinc/03/59/97/350035997.db2.gz ALEZIGMLRIHGLW-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO C(CC1CC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000128059309 191008662 /nfs/dbraw/zinc/00/86/62/191008662.db2.gz JWXWUZWMLFWAES-CHWSQXEVSA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128059309 191008664 /nfs/dbraw/zinc/00/86/64/191008664.db2.gz JWXWUZWMLFWAES-CHWSQXEVSA-N 1 3 208.349 2.003 20 0 BEADHO C(CC1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128059309 191008667 /nfs/dbraw/zinc/00/86/67/191008667.db2.gz JWXWUZWMLFWAES-CHWSQXEVSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)CC1CC1)CN1CCCC1 ZINC000132429859 191033518 /nfs/dbraw/zinc/03/35/18/191033518.db2.gz GKOBYFLVQYMMFP-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000324790580 323282918 /nfs/dbraw/zinc/28/29/18/323282918.db2.gz JURBLZZWGVVSIU-SWHYSGLUSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000309339127 350322643 /nfs/dbraw/zinc/32/26/43/350322643.db2.gz KHUMXFONCCFESO-WZRBSPASSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309339127 350322647 /nfs/dbraw/zinc/32/26/47/350322647.db2.gz KHUMXFONCCFESO-WZRBSPASSA-N 1 3 238.400 2.267 20 0 BEADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCNC(C)C ZINC000563951255 323329780 /nfs/dbraw/zinc/32/97/80/323329780.db2.gz UKRWGQOIHXGRAY-KBPBESRZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300333418 490556883 /nfs/dbraw/zinc/55/68/83/490556883.db2.gz MJFNSLXGICIUJR-RVMXOQNASA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300333418 490556888 /nfs/dbraw/zinc/55/68/88/490556888.db2.gz MJFNSLXGICIUJR-RVMXOQNASA-N 1 3 240.416 2.097 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(CCCOc2ccccc2)C1 ZINC000163172290 350509006 /nfs/dbraw/zinc/50/90/06/350509006.db2.gz GZEWUYAOGDGPGK-KBPBESRZSA-N 1 3 248.370 2.125 20 0 BEADHO CO[C@@H](C)[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000163250388 350511248 /nfs/dbraw/zinc/51/12/48/350511248.db2.gz IYADKMWGYABFRX-NEPJUHHUSA-N 1 3 242.407 2.262 20 0 BEADHO C[C@@H]1CC[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)O1 ZINC000623545185 362965427 /nfs/dbraw/zinc/96/54/27/362965427.db2.gz AAXAGOUQTLARPD-AGIUHOORSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1CC[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545185 362965431 /nfs/dbraw/zinc/96/54/31/362965431.db2.gz AAXAGOUQTLARPD-AGIUHOORSA-N 1 3 240.391 2.016 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000128606961 490583076 /nfs/dbraw/zinc/58/30/76/490583076.db2.gz QOJIGNUDMVFBJB-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000070613308 350547522 /nfs/dbraw/zinc/54/75/22/350547522.db2.gz DEHFDMWESCZQTN-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000070613308 350547525 /nfs/dbraw/zinc/54/75/25/350547525.db2.gz DEHFDMWESCZQTN-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN1CCC[C@H](C(C)C)CC1 ZINC000070613308 350547526 /nfs/dbraw/zinc/54/75/26/350547526.db2.gz DEHFDMWESCZQTN-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335619799 538097856 /nfs/dbraw/zinc/09/78/56/538097856.db2.gz NASYOPGEMZCVST-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335619799 538097858 /nfs/dbraw/zinc/09/78/58/538097858.db2.gz NASYOPGEMZCVST-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2COC(C)(C)C2)CC1(C)C ZINC000623561959 362986233 /nfs/dbraw/zinc/98/62/33/362986233.db2.gz DAXNVZBBCLDNEG-RYUDHWBXSA-N 1 3 240.391 2.016 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2COC(C)(C)C2)CC1(C)C ZINC000623561959 362986234 /nfs/dbraw/zinc/98/62/34/362986234.db2.gz DAXNVZBBCLDNEG-RYUDHWBXSA-N 1 3 240.391 2.016 20 0 BEADHO CCC(CC)CN1CCC([NH2+]CCOC)CC1 ZINC000577616171 366018755 /nfs/dbraw/zinc/01/87/55/366018755.db2.gz KTTFIPXMOMKMIN-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccoc2)CC1(C)C ZINC000623569728 362998530 /nfs/dbraw/zinc/99/85/30/362998530.db2.gz VBTHMYXKIVCFGW-ZDUSSCGKSA-N 1 3 236.359 2.285 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccoc2)CC1(C)C ZINC000623569728 362998535 /nfs/dbraw/zinc/99/85/35/362998535.db2.gz VBTHMYXKIVCFGW-ZDUSSCGKSA-N 1 3 236.359 2.285 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)C1CCCCCC1 ZINC000088163117 351672445 /nfs/dbraw/zinc/67/24/45/351672445.db2.gz DIOBXSJRNXCDBG-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000637930615 351806936 /nfs/dbraw/zinc/80/69/36/351806936.db2.gz QGJLDQRSKIHSCS-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000637930615 351806938 /nfs/dbraw/zinc/80/69/38/351806938.db2.gz QGJLDQRSKIHSCS-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCCC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336738310 351984987 /nfs/dbraw/zinc/98/49/87/351984987.db2.gz RGSGHKRGJOPWON-LBPRGKRZSA-N 1 3 210.365 2.417 20 0 BEADHO CCC[C@H](CN1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000638131891 352001683 /nfs/dbraw/zinc/00/16/83/352001683.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](CN1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000638131891 352001686 /nfs/dbraw/zinc/00/16/86/352001686.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](C[N@@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000638131891 352001687 /nfs/dbraw/zinc/00/16/87/352001687.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](C[N@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000638131891 352001689 /nfs/dbraw/zinc/00/16/89/352001689.db2.gz FDSXJYKNRHGNFJ-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CC1(F)F ZINC000638306896 352136068 /nfs/dbraw/zinc/13/60/68/352136068.db2.gz HQKXXMVNJPKCNH-NEPJUHHUSA-N 1 3 246.345 2.496 20 0 BEADHO C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CC1(F)F ZINC000638307190 352136207 /nfs/dbraw/zinc/13/62/07/352136207.db2.gz HQKXXMVNJPKCNH-NWDGAFQWSA-N 1 3 246.345 2.496 20 0 BEADHO C(C[NH2+]CCCN1CCCCC1)C[C@@H]1CCO1 ZINC000638308951 352136468 /nfs/dbraw/zinc/13/64/68/352136468.db2.gz OSXMIOBREMFVHL-CQSZACIVSA-N 1 3 240.391 2.021 20 0 BEADHO CC[C@@H](C)[C@@H](C[NH2+]CCCN(C)C(C)C)OC ZINC000638337035 352154988 /nfs/dbraw/zinc/15/49/88/352154988.db2.gz BOUGLVCJNMSXDN-ZIAGYGMSSA-N 1 3 244.423 2.367 20 0 BEADHO CO[C@@H](C[NH2+]CCCN(C)C(C)C)CC(C)C ZINC000638337017 352155111 /nfs/dbraw/zinc/15/51/11/352155111.db2.gz BGESOBXYEZSXSR-CQSZACIVSA-N 1 3 244.423 2.367 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638338243 352157826 /nfs/dbraw/zinc/15/78/26/352157826.db2.gz UOEFKCAMYATAKF-MNOVXSKESA-N 1 3 234.334 2.350 20 0 BEADHO C[C@H](c1ccccc1)[C@H](C)NC[C@@H]1CC[NH2+]C1 ZINC000414899935 352174419 /nfs/dbraw/zinc/17/44/19/352174419.db2.gz CVPXMPBBNBEDCY-MELADBBJSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC1(F)F ZINC000638377108 352188571 /nfs/dbraw/zinc/18/85/71/352188571.db2.gz NHZOOZHKGNMECT-WHOHXGKFSA-N 1 3 244.329 2.247 20 0 BEADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC1(F)F ZINC000638377108 352188574 /nfs/dbraw/zinc/18/85/74/352188574.db2.gz NHZOOZHKGNMECT-WHOHXGKFSA-N 1 3 244.329 2.247 20 0 BEADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC1(F)F ZINC000638377104 352188619 /nfs/dbraw/zinc/18/86/19/352188619.db2.gz NHZOOZHKGNMECT-QCNOEVLYSA-N 1 3 244.329 2.247 20 0 BEADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC1(F)F ZINC000638377104 352188621 /nfs/dbraw/zinc/18/86/21/352188621.db2.gz NHZOOZHKGNMECT-QCNOEVLYSA-N 1 3 244.329 2.247 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CC2CCSCC2)C1 ZINC000638382175 352193705 /nfs/dbraw/zinc/19/37/05/352193705.db2.gz SSDRGVCLVUUSPD-ZDUSSCGKSA-N 1 3 242.432 2.061 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CC2(F)F)C1 ZINC000638408346 352213811 /nfs/dbraw/zinc/21/38/11/352213811.db2.gz AHEYAVYEWULFAT-IJLUTSLNSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CC2(F)F)C1 ZINC000638408346 352213814 /nfs/dbraw/zinc/21/38/14/352213814.db2.gz AHEYAVYEWULFAT-IJLUTSLNSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CC2(F)F)C1 ZINC000638408346 352213815 /nfs/dbraw/zinc/21/38/15/352213815.db2.gz AHEYAVYEWULFAT-IJLUTSLNSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000252958516 538103744 /nfs/dbraw/zinc/10/37/44/538103744.db2.gz SWIAYLRCUHHJGQ-XQHKEYJVSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000252958516 538103746 /nfs/dbraw/zinc/10/37/46/538103746.db2.gz SWIAYLRCUHHJGQ-XQHKEYJVSA-N 1 3 210.365 2.105 20 0 BEADHO C(CC1CCCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000043327111 352637357 /nfs/dbraw/zinc/63/73/57/352637357.db2.gz SIHJSYOHQLVKBK-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000300831788 188001683 /nfs/dbraw/zinc/00/16/83/188001683.db2.gz CCWIQMWOKXTLTP-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000300831788 188001685 /nfs/dbraw/zinc/00/16/85/188001685.db2.gz CCWIQMWOKXTLTP-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300831788 188001686 /nfs/dbraw/zinc/00/16/86/188001686.db2.gz CCWIQMWOKXTLTP-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO C(C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000336663053 188011517 /nfs/dbraw/zinc/01/15/17/188011517.db2.gz DTRACCJHCKOGMU-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO C(C[N@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000336663053 188011518 /nfs/dbraw/zinc/01/15/18/188011518.db2.gz DTRACCJHCKOGMU-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO C(CN1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000336663053 188011520 /nfs/dbraw/zinc/01/15/20/188011520.db2.gz DTRACCJHCKOGMU-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO Cc1ccnc([C@H](C)NCCCC[NH+](C)C)c1 ZINC000286365605 188034887 /nfs/dbraw/zinc/03/48/87/188034887.db2.gz ZJGMQXADZNYUKO-ZDUSSCGKSA-N 1 3 235.375 2.382 20 0 BEADHO CC(C)[C@@](C)([NH2+]CC[C@@H]1CCCN1C)C(N)=O ZINC000331344258 188046995 /nfs/dbraw/zinc/04/69/95/188046995.db2.gz LECTZHWCMOOBFF-WCQYABFASA-N 1 3 241.379 2.010 20 0 BEADHO CC(C)(N)C[NH2+]Cc1cccc2cccnc21 ZINC000261549205 535209442 /nfs/dbraw/zinc/20/94/42/535209442.db2.gz KEGLEVAZORQQNQ-UHFFFAOYSA-N 1 3 229.327 2.062 20 0 BEADHO COc1ccc([C@@H](C)NCCCC[NH3+])c(F)c1 ZINC000037715475 358476637 /nfs/dbraw/zinc/47/66/37/358476637.db2.gz FOLDODUAWYQDJC-SNVBAGLBSA-N 1 3 240.322 2.224 20 0 BEADHO c1coc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250069962 353267483 /nfs/dbraw/zinc/26/74/83/353267483.db2.gz ACTOBCLKHMPQNO-RBSFLKMASA-N 1 3 248.370 2.332 20 0 BEADHO CCN1CCC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336768647 353281558 /nfs/dbraw/zinc/28/15/58/353281558.db2.gz RDVAMBYRMFCXIC-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H](Cc1ccsc1)NCCC[NH+](C)C ZINC000122115183 324029052 /nfs/dbraw/zinc/02/90/52/324029052.db2.gz ZANSPWJRRKDQNH-NSHDSACASA-N 1 3 226.389 2.220 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H]2CCCNC2)C1 ZINC000251779856 353288041 /nfs/dbraw/zinc/28/80/41/353288041.db2.gz LCBANQWDZGQMCW-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H]2CCCNC2)C1 ZINC000251779856 353288044 /nfs/dbraw/zinc/28/80/44/353288044.db2.gz LCBANQWDZGQMCW-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)N(CCC[NH3+])Cc1ccc(F)cc1 ZINC000036731987 188255336 /nfs/dbraw/zinc/25/53/36/188255336.db2.gz ZXUZNXDPPZWQGW-UHFFFAOYSA-N 1 3 224.323 2.385 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252128732 353297007 /nfs/dbraw/zinc/29/70/07/353297007.db2.gz KLFHTYXLSZCLRG-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2C)C1 ZINC000252128732 353297009 /nfs/dbraw/zinc/29/70/09/353297009.db2.gz KLFHTYXLSZCLRG-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C1CC1N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250940921 188259158 /nfs/dbraw/zinc/25/91/58/188259158.db2.gz ZKIHBVNAKCCARB-YNEHKIRRSA-N 1 3 208.349 2.049 20 0 BEADHO CS[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252951170 353313115 /nfs/dbraw/zinc/31/31/15/353313115.db2.gz DPCXQIVTHOEXAU-YVECIDJPSA-N 1 3 242.432 2.248 20 0 BEADHO C1C[C@H]([NH2+][C@@H]2CCNC2)C2(C1)CCCCC2 ZINC000313024754 188328676 /nfs/dbraw/zinc/32/86/76/188328676.db2.gz NKXDUEBTVUIQCV-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000230126773 353473701 /nfs/dbraw/zinc/47/37/01/353473701.db2.gz XBSFAUXONVIAPO-FRRDWIJNSA-N 1 3 236.384 2.307 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000229207824 363273843 /nfs/dbraw/zinc/27/38/43/363273843.db2.gz MSXDMBAIMLCMNU-NWDGAFQWSA-N 1 3 230.421 2.237 20 0 BEADHO CC(C)C1(CN(C)CCC[NH+](C)C)CC1 ZINC000639167916 354042489 /nfs/dbraw/zinc/04/24/89/354042489.db2.gz MVZOIWUVMACNGX-UHFFFAOYSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@H](CC(C)C)OC ZINC000639175269 354194110 /nfs/dbraw/zinc/19/41/10/354194110.db2.gz KDZGVXZETPVWKV-AWEZNQCLSA-N 1 3 244.423 2.321 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000334582749 354202952 /nfs/dbraw/zinc/20/29/52/354202952.db2.gz OEJHPBVVMRLVCJ-LBPRGKRZSA-N 1 3 246.345 2.448 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000334582749 354202954 /nfs/dbraw/zinc/20/29/54/354202954.db2.gz OEJHPBVVMRLVCJ-LBPRGKRZSA-N 1 3 246.345 2.448 20 0 BEADHO CCCN(CCC[NH+](C)C)C[C@H](OC)C1CC1 ZINC000639175800 354207111 /nfs/dbraw/zinc/20/71/11/354207111.db2.gz TUZIPKCOTPGZIG-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000344303874 354214586 /nfs/dbraw/zinc/21/45/86/354214586.db2.gz WOQDOQYJYXAVAG-CABCVRRESA-N 1 3 234.387 2.417 20 0 BEADHO C[C@@H](C[NH2+]C1CC(C)C1)CN1CCCC1 ZINC000231787570 363353763 /nfs/dbraw/zinc/35/37/63/363353763.db2.gz PZZWEOMDOOYIPO-CPCZMJQVSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]([NH2+]C1CCc2ccccc2CC1)C1CNC1 ZINC000335174927 354942751 /nfs/dbraw/zinc/94/27/51/354942751.db2.gz DAOLBWWACMJQNG-GFCCVEGCSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H](N)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000335229454 355071746 /nfs/dbraw/zinc/07/17/46/355071746.db2.gz FGOHWTAKSAVABB-PWSUYJOCSA-N 1 3 238.762 2.477 20 0 BEADHO C[C@@H](N)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000335229454 355071750 /nfs/dbraw/zinc/07/17/50/355071750.db2.gz FGOHWTAKSAVABB-PWSUYJOCSA-N 1 3 238.762 2.477 20 0 BEADHO Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000335256229 355189514 /nfs/dbraw/zinc/18/95/14/355189514.db2.gz FDJAELUVTCOHTB-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO CCC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346997595 355196060 /nfs/dbraw/zinc/19/60/60/355196060.db2.gz XMERJWBPIGIDBO-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346997595 355196061 /nfs/dbraw/zinc/19/60/61/355196061.db2.gz XMERJWBPIGIDBO-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)OC ZINC000412975349 191346022 /nfs/dbraw/zinc/34/60/22/191346022.db2.gz FQWNLYLJSXVHRP-MGPQQGTHSA-N 1 3 242.407 2.216 20 0 BEADHO CC[C@H](CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)OC ZINC000412975349 191346024 /nfs/dbraw/zinc/34/60/24/191346024.db2.gz FQWNLYLJSXVHRP-MGPQQGTHSA-N 1 3 242.407 2.216 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(F)F ZINC000639245729 355275059 /nfs/dbraw/zinc/27/50/59/355275059.db2.gz BDXPBJKEAAFUSQ-MGMMNNENSA-N 1 3 244.329 2.245 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(F)F ZINC000639245729 355275063 /nfs/dbraw/zinc/27/50/63/355275063.db2.gz BDXPBJKEAAFUSQ-MGMMNNENSA-N 1 3 244.329 2.245 20 0 BEADHO CC(C)CN(C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000639290881 355465660 /nfs/dbraw/zinc/46/56/60/355465660.db2.gz WNZFHFDCNZLEIC-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414869622 191608269 /nfs/dbraw/zinc/60/82/69/191608269.db2.gz AYVDMCVRONKYEU-PAPYEOQZSA-N 1 3 232.371 2.363 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414877736 191612231 /nfs/dbraw/zinc/61/22/31/191612231.db2.gz NEHZRLSKBPIVTB-GHMZBOCLSA-N 1 3 224.323 2.114 20 0 BEADHO Cc1ccc(CNCCC[C@H]2CCC[NH2+]2)nc1 ZINC000414972060 191637490 /nfs/dbraw/zinc/63/74/90/191637490.db2.gz LUTYXRBXRBACGH-ZDUSSCGKSA-N 1 3 233.359 2.012 20 0 BEADHO C[C@@H](F)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000352050005 134045810 /nfs/dbraw/zinc/04/58/10/134045810.db2.gz PHZKIIJNTKAAHR-VXGBXAGGSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@@H](F)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352050005 134045811 /nfs/dbraw/zinc/04/58/11/134045811.db2.gz PHZKIIJNTKAAHR-VXGBXAGGSA-N 1 3 216.344 2.008 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000215989509 355640817 /nfs/dbraw/zinc/64/08/17/355640817.db2.gz DVDAHRXMHABHPY-STQMWFEESA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000215989509 355640819 /nfs/dbraw/zinc/64/08/19/355640819.db2.gz DVDAHRXMHABHPY-STQMWFEESA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000215989509 355640820 /nfs/dbraw/zinc/64/08/20/355640820.db2.gz DVDAHRXMHABHPY-STQMWFEESA-N 1 3 232.371 2.418 20 0 BEADHO C[N@@H+]1CC[C@@]2(CCN([C@@H]3C=CCCC3)C2)C1 ZINC000335887762 355679593 /nfs/dbraw/zinc/67/95/93/355679593.db2.gz CFBLXFVFIGLAGK-ZIAGYGMSSA-N 1 3 220.360 2.123 20 0 BEADHO C[N@H+]1CC[C@@]2(CCN([C@@H]3C=CCCC3)C2)C1 ZINC000335887762 355679596 /nfs/dbraw/zinc/67/95/96/355679596.db2.gz CFBLXFVFIGLAGK-ZIAGYGMSSA-N 1 3 220.360 2.123 20 0 BEADHO CCC[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)OC ZINC000639347805 355795130 /nfs/dbraw/zinc/79/51/30/355795130.db2.gz QYOUJVSKGRARKJ-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@@H]1CCCC[N@H+](C)C1)OC ZINC000639347805 355795134 /nfs/dbraw/zinc/79/51/34/355795134.db2.gz QYOUJVSKGRARKJ-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639347805 355795137 /nfs/dbraw/zinc/79/51/37/355795137.db2.gz QYOUJVSKGRARKJ-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ccc(CCN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861979 356098868 /nfs/dbraw/zinc/09/88/68/356098868.db2.gz MRYFCJPGDDJQNY-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO [NH3+]CC1CCN(CCCCC(F)(F)F)CC1 ZINC000420273951 192197562 /nfs/dbraw/zinc/19/75/62/192197562.db2.gz NZYJZGBTTVUCEZ-UHFFFAOYSA-N 1 3 238.297 2.390 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000420281777 192200102 /nfs/dbraw/zinc/20/01/02/192200102.db2.gz AJWSCCZZTMMPFP-IHRRRGAJSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCc1ccsc1 ZINC000420316218 192213470 /nfs/dbraw/zinc/21/34/70/192213470.db2.gz LTTGZTURKISMBO-DGCLKSJQSA-N 1 3 238.400 2.350 20 0 BEADHO CN(CC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420318412 192214050 /nfs/dbraw/zinc/21/40/50/192214050.db2.gz WBEQBIYRLQOHTG-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+](CC[C@@H]1CCCCO1)[C@@H]1CCCNCC1 ZINC000420318412 192214053 /nfs/dbraw/zinc/21/40/53/192214053.db2.gz WBEQBIYRLQOHTG-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@@H+](CC[C@@H]1CCCCO1)[C@@H]1CCCNCC1 ZINC000420318412 192214056 /nfs/dbraw/zinc/21/40/56/192214056.db2.gz WBEQBIYRLQOHTG-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000420307715 192208722 /nfs/dbraw/zinc/20/87/22/192208722.db2.gz CDTUGCHEWSGGHJ-ZIAGYGMSSA-N 1 3 240.391 2.149 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000420307715 192208724 /nfs/dbraw/zinc/20/87/24/192208724.db2.gz CDTUGCHEWSGGHJ-ZIAGYGMSSA-N 1 3 240.391 2.149 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CC[C@H]1CCCCO1 ZINC000420307715 192208726 /nfs/dbraw/zinc/20/87/26/192208726.db2.gz CDTUGCHEWSGGHJ-ZIAGYGMSSA-N 1 3 240.391 2.149 20 0 BEADHO [NH3+]CCCN[C@@H]1CCCc2ccc(F)cc21 ZINC000420309100 192210306 /nfs/dbraw/zinc/21/03/06/192210306.db2.gz OFQXELYXYJXXEY-CYBMUJFWSA-N 1 3 222.307 2.142 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000420312231 192210828 /nfs/dbraw/zinc/21/08/28/192210828.db2.gz RYRRBPFRLOPQTK-UWVGGRQHSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000420312233 192211076 /nfs/dbraw/zinc/21/10/76/192211076.db2.gz RYRRBPFRLOPQTK-ZJUUUORDSA-N 1 3 238.297 2.388 20 0 BEADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000420317667 192212727 /nfs/dbraw/zinc/21/27/27/192212727.db2.gz NPZDNQOBOLFFPA-OCCSQVGLSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000420317667 192212730 /nfs/dbraw/zinc/21/27/30/192212730.db2.gz NPZDNQOBOLFFPA-OCCSQVGLSA-N 1 3 248.370 2.079 20 0 BEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCCC(F)(F)F ZINC000420326094 192230351 /nfs/dbraw/zinc/23/03/51/192230351.db2.gz XAWZREKVUNHOHL-UWVGGRQHSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@H]1C[C@H](C[NH3+])CN1CCCCC(F)(F)F ZINC000420326097 192230663 /nfs/dbraw/zinc/23/06/63/192230663.db2.gz XAWZREKVUNHOHL-VHSXEESVSA-N 1 3 238.297 2.388 20 0 BEADHO [NH3+]C[C@@H]1CN(CCCC2CCCC2)CCCO1 ZINC000420389674 192234639 /nfs/dbraw/zinc/23/46/39/192234639.db2.gz MHYGGKPXEDYSOQ-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO NC[C@@H]1C[N@H+](CCCC2CCCC2)CCCO1 ZINC000420389674 192234641 /nfs/dbraw/zinc/23/46/41/192234641.db2.gz MHYGGKPXEDYSOQ-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO NC[C@@H]1C[N@@H+](CCCC2CCCC2)CCCO1 ZINC000420389674 192234643 /nfs/dbraw/zinc/23/46/43/192234643.db2.gz MHYGGKPXEDYSOQ-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO [NH3+]CCCN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420410972 192239824 /nfs/dbraw/zinc/23/98/24/192239824.db2.gz RNOONDRPFTYVAV-DZGCQCFKSA-N 1 3 248.370 2.093 20 0 BEADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCc1ccccc1 ZINC000420378512 192233956 /nfs/dbraw/zinc/23/39/56/192233956.db2.gz XCIRRQCQZBVYNI-VNHYZAJKSA-N 1 3 232.371 2.205 20 0 BEADHO c1cc(N2CCC[N@@H+](CC3CCC3)CC2)ccn1 ZINC000639681972 356592288 /nfs/dbraw/zinc/59/22/88/356592288.db2.gz CGOJUKKQXWQPTN-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO c1cc(N2CCC[N@H+](CC3CCC3)CC2)ccn1 ZINC000639681972 356592289 /nfs/dbraw/zinc/59/22/89/356592289.db2.gz CGOJUKKQXWQPTN-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO c1cc(N2CCC[N@@H+](CC3CC3)CC2)ccn1 ZINC000639681962 356592582 /nfs/dbraw/zinc/59/25/82/356592582.db2.gz BNHKZISLGBUPII-UHFFFAOYSA-N 1 3 231.343 2.004 20 0 BEADHO c1cc(N2CCC[N@H+](CC3CC3)CC2)ccn1 ZINC000639681962 356592585 /nfs/dbraw/zinc/59/25/85/356592585.db2.gz BNHKZISLGBUPII-UHFFFAOYSA-N 1 3 231.343 2.004 20 0 BEADHO C[C@H]1C[C@H]1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639685930 356601649 /nfs/dbraw/zinc/60/16/49/356601649.db2.gz ZEQBKHTXIBPSGD-KBPBESRZSA-N 1 3 245.370 2.250 20 0 BEADHO C[C@H]1C[C@H]1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639685930 356601652 /nfs/dbraw/zinc/60/16/52/356601652.db2.gz ZEQBKHTXIBPSGD-KBPBESRZSA-N 1 3 245.370 2.250 20 0 BEADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422982781 192517589 /nfs/dbraw/zinc/51/75/89/192517589.db2.gz RHUWQFMWBQQYDA-XYPWUTKMSA-N 1 3 244.382 2.410 20 0 BEADHO Cc1cnccc1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423014107 192539826 /nfs/dbraw/zinc/53/98/26/192539826.db2.gz OHNPXPQKGPCWDU-CABCVRRESA-N 1 3 247.386 2.040 20 0 BEADHO CCc1ccc2nccc(NCC[NH+](C)C)c2c1 ZINC000450207731 202095975 /nfs/dbraw/zinc/09/59/75/202095975.db2.gz HEQBKLPIVBVSAQ-UHFFFAOYSA-N 1 3 243.354 2.193 20 0 BEADHO CCc1cc(N2CCN(CC(C)C)CC2)cc[nH+]1 ZINC000450217064 202098822 /nfs/dbraw/zinc/09/88/22/202098822.db2.gz SEFPAZJZYDXVHX-UHFFFAOYSA-N 1 3 247.386 2.422 20 0 BEADHO CN(CCC[NH3+])CCCc1c(F)cccc1F ZINC000655937915 491098770 /nfs/dbraw/zinc/09/87/70/491098770.db2.gz IDONKSSCZGHAEM-UHFFFAOYSA-N 1 3 242.313 2.178 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423103006 192568876 /nfs/dbraw/zinc/56/88/76/192568876.db2.gz FWRRGSRNMJPVPV-NWDGAFQWSA-N 1 3 228.355 2.246 20 0 BEADHO C([NH2+]CC1CCCCCC1)[C@H]1CCCN1 ZINC000389491877 356692818 /nfs/dbraw/zinc/69/28/18/356692818.db2.gz SOVNKPINPKOWBH-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC1(F)F ZINC000423146647 192588159 /nfs/dbraw/zinc/58/81/59/192588159.db2.gz BAGKFZYVMDYAIM-LPEHRKFASA-N 1 3 220.307 2.137 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(CC2=CCCCC2)C1 ZINC000450410541 202158989 /nfs/dbraw/zinc/15/89/89/202158989.db2.gz ZELLQCUZULJREI-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CCc1cc(N2CCN(C)[C@H](C(C)C)C2)cc[nH+]1 ZINC000450479461 202179400 /nfs/dbraw/zinc/17/94/00/202179400.db2.gz OIKIJCXSPODXET-HNNXBMFYSA-N 1 3 247.386 2.420 20 0 BEADHO CCc1cc(N2CCN(CC)C[C@@H]2C)cc[nH+]1 ZINC000450533122 202190625 /nfs/dbraw/zinc/19/06/25/202190625.db2.gz ZJFGJVNVPKPYEB-LBPRGKRZSA-N 1 3 233.359 2.174 20 0 BEADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC[NH3+] ZINC000423197242 192622701 /nfs/dbraw/zinc/62/27/01/192622701.db2.gz YOPHZYZWASBSCJ-AWEZNQCLSA-N 1 3 248.370 2.356 20 0 BEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(C)CC2)C1 ZINC000389984729 357079398 /nfs/dbraw/zinc/07/93/98/357079398.db2.gz LJOGETHPNYEUDO-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO CCc1cccnc1[C@@H](C)NCCCC[NH3+] ZINC000423325171 192667482 /nfs/dbraw/zinc/66/74/82/192667482.db2.gz LEAFNRFXQZMJFY-LLVKDONJSA-N 1 3 221.348 2.034 20 0 BEADHO CCN1CC[C@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631659597 357190034 /nfs/dbraw/zinc/19/00/34/357190034.db2.gz RZNPZROMJYUSDJ-MNOVXSKESA-N 1 3 216.344 2.054 20 0 BEADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccncc1 ZINC000582667167 357358508 /nfs/dbraw/zinc/35/85/08/357358508.db2.gz XSDMFBIKEQAWSA-LBPRGKRZSA-N 1 3 241.338 2.391 20 0 BEADHO C[C@H](NCCCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000395242883 357429641 /nfs/dbraw/zinc/42/96/41/357429641.db2.gz RCZHWKDCNVBHNX-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC(F)(F)F ZINC000063099443 357526002 /nfs/dbraw/zinc/52/60/02/357526002.db2.gz SFDKIKCLOXLEAA-UTLUCORTSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC(F)(F)F ZINC000063099443 357526004 /nfs/dbraw/zinc/52/60/04/357526004.db2.gz SFDKIKCLOXLEAA-UTLUCORTSA-N 1 3 238.297 2.257 20 0 BEADHO COC1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000230383614 357532472 /nfs/dbraw/zinc/53/24/72/357532472.db2.gz AAKPISNTIMOUTF-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000583763862 357938666 /nfs/dbraw/zinc/93/86/66/357938666.db2.gz MQLGIPDSUMFQBZ-MNOVXSKESA-N 1 3 214.328 2.128 20 0 BEADHO c1csc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000168703083 134246414 /nfs/dbraw/zinc/24/64/14/134246414.db2.gz IGRLVJGPKUCEGM-LLVKDONJSA-N 1 3 224.373 2.022 20 0 BEADHO c1csc(CC[NH2+][C@@H]2CCCNCC2)c1 ZINC000168703083 134246415 /nfs/dbraw/zinc/24/64/15/134246415.db2.gz IGRLVJGPKUCEGM-LLVKDONJSA-N 1 3 224.373 2.022 20 0 BEADHO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)s1 ZINC000090406292 491120300 /nfs/dbraw/zinc/12/03/00/491120300.db2.gz HCWIAQYEYVVXDS-VHSXEESVSA-N 1 3 241.404 2.442 20 0 BEADHO CS[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000169085828 134249748 /nfs/dbraw/zinc/24/97/48/134249748.db2.gz DPCXQIVTHOEXAU-FVCCEPFGSA-N 1 3 242.432 2.248 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN(CC(C)C)C1 ZINC000076003687 325325305 /nfs/dbraw/zinc/32/53/05/325325305.db2.gz ZRKWVTOJHJSJDV-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000076003687 325325307 /nfs/dbraw/zinc/32/53/07/325325307.db2.gz ZRKWVTOJHJSJDV-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000076003687 325325309 /nfs/dbraw/zinc/32/53/09/325325309.db2.gz ZRKWVTOJHJSJDV-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CN1CCC[C@@H]1CC[NH+]1CCC(C)(F)CC1 ZINC000640071274 358154608 /nfs/dbraw/zinc/15/46/08/358154608.db2.gz HNOVTVLYOYJMPR-GFCCVEGCSA-N 1 3 228.355 2.295 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000584848883 358208496 /nfs/dbraw/zinc/20/84/96/358208496.db2.gz ATNLSMRELIWWCA-STQMWFEESA-N 1 3 242.407 2.299 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000173902838 134278264 /nfs/dbraw/zinc/27/82/64/134278264.db2.gz YVCXIVFZSRNSGZ-KGLIPLIRSA-N 1 3 222.376 2.369 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000173902838 134278265 /nfs/dbraw/zinc/27/82/65/134278265.db2.gz YVCXIVFZSRNSGZ-KGLIPLIRSA-N 1 3 222.376 2.369 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC000173887041 134278449 /nfs/dbraw/zinc/27/84/49/134278449.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC000173887041 134278450 /nfs/dbraw/zinc/27/84/50/134278450.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CC2CCC2)C1 ZINC000173887041 134278451 /nfs/dbraw/zinc/27/84/51/134278451.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CC2CCC2)C1 ZINC000173887041 134278452 /nfs/dbraw/zinc/27/84/52/134278452.db2.gz SKOCIVBENXPSCT-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO C1CC1C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000130153320 358610716 /nfs/dbraw/zinc/61/07/16/358610716.db2.gz WPRNTUTZTOAJER-KBPBESRZSA-N 1 3 234.387 2.391 20 0 BEADHO COCCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000132067269 358705270 /nfs/dbraw/zinc/70/52/70/358705270.db2.gz JDYKFXWSYOCZJK-ZIAGYGMSSA-N 1 3 234.343 2.147 20 0 BEADHO C[NH+](C)CC1CCN(Cc2cccc(O)c2)CC1 ZINC000132799703 358736119 /nfs/dbraw/zinc/73/61/19/358736119.db2.gz NUKGUBYVBQSYQI-UHFFFAOYSA-N 1 3 248.370 2.166 20 0 BEADHO C[C@H](NCc1ccoc1)C1CC[NH+](C)CC1 ZINC000132532452 491136563 /nfs/dbraw/zinc/13/65/63/491136563.db2.gz PRRVCSGUFLDFEH-NSHDSACASA-N 1 3 222.332 2.100 20 0 BEADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423313895 192701091 /nfs/dbraw/zinc/70/10/91/192701091.db2.gz GHLACLWUPNUTDW-GXTWGEPZSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](NCC1CC[NH+](C)CC1)c1nccs1 ZINC000070717654 359062773 /nfs/dbraw/zinc/06/27/73/359062773.db2.gz SRTBMXCABBLMPE-JTQLQIEISA-N 1 3 239.388 2.136 20 0 BEADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000246978379 359180221 /nfs/dbraw/zinc/18/02/21/359180221.db2.gz ISPSKAKNKBEYHR-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000423360602 192731993 /nfs/dbraw/zinc/73/19/93/192731993.db2.gz FWOKTAAENASYJF-RQJABVFESA-N 1 3 222.376 2.425 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306287049 359520597 /nfs/dbraw/zinc/52/05/97/359520597.db2.gz ZCCZVFYYURWFIW-GJZGRUSLSA-N 1 3 230.355 2.247 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306287049 359520600 /nfs/dbraw/zinc/52/06/00/359520600.db2.gz ZCCZVFYYURWFIW-GJZGRUSLSA-N 1 3 230.355 2.247 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379530566 359536383 /nfs/dbraw/zinc/53/63/83/359536383.db2.gz CJCXOFFQNDMWDE-NWDGAFQWSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCS[C@@H](C)CC1 ZINC000379530566 359536385 /nfs/dbraw/zinc/53/63/85/359536385.db2.gz CJCXOFFQNDMWDE-NWDGAFQWSA-N 1 3 230.421 2.187 20 0 BEADHO COCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCC1 ZINC000580451115 359558609 /nfs/dbraw/zinc/55/86/09/359558609.db2.gz YSFAMHVRGQZDLP-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO C[N@H+](CCc1ccccc1)C[C@H]1CCCNC1 ZINC000088195159 359941125 /nfs/dbraw/zinc/94/11/25/359941125.db2.gz DVHFBFHQNURUFK-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO C[N@@H+](CCc1ccccc1)C[C@H]1CCCNC1 ZINC000088195159 359941130 /nfs/dbraw/zinc/94/11/30/359941130.db2.gz DVHFBFHQNURUFK-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO CC[C@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088249781 359942278 /nfs/dbraw/zinc/94/22/78/359942278.db2.gz BCXCOULHNIDEGW-QLFBSQMISA-N 1 3 230.355 2.289 20 0 BEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000578878479 366664800 /nfs/dbraw/zinc/66/48/00/366664800.db2.gz UWRFQHHHEZIXIY-RWMBFGLXSA-N 1 3 242.407 2.155 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000089140764 359992527 /nfs/dbraw/zinc/99/25/27/359992527.db2.gz FNRDMDRZUAGEAC-TZMCWYRMSA-N 1 3 236.334 2.433 20 0 BEADHO CC(C)CCOCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089145910 359993017 /nfs/dbraw/zinc/99/30/17/359993017.db2.gz RUVDUBCSPLZJKU-KGLIPLIRSA-N 1 3 242.407 2.156 20 0 BEADHO CC(C)CCOCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089145910 359993019 /nfs/dbraw/zinc/99/30/19/359993019.db2.gz RUVDUBCSPLZJKU-KGLIPLIRSA-N 1 3 242.407 2.156 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089145567 359993192 /nfs/dbraw/zinc/99/31/92/359993192.db2.gz YJNWSRBUINMXBC-UKRRQHHQSA-N 1 3 248.370 2.042 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309323170 491146864 /nfs/dbraw/zinc/14/68/64/491146864.db2.gz FQTSLOLDAYQWLA-KGLIPLIRSA-N 1 3 224.392 2.495 20 0 BEADHO COCc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089149876 359994412 /nfs/dbraw/zinc/99/44/12/359994412.db2.gz ZCGAEWAIUHBVFQ-IUODEOHRSA-N 1 3 248.370 2.050 20 0 BEADHO COc1ccc2c(c1)[C@@H](NCCC[NH3+])CCC2 ZINC000092383691 360166027 /nfs/dbraw/zinc/16/60/27/360166027.db2.gz YTRWCJHBFKXCSR-AWEZNQCLSA-N 1 3 234.343 2.011 20 0 BEADHO COC[C@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516225 360256167 /nfs/dbraw/zinc/25/61/67/360256167.db2.gz WNXBFUHQRUSFIV-MGPQQGTHSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629407932 361056586 /nfs/dbraw/zinc/05/65/86/361056586.db2.gz NESMMTZNWRKVQZ-WUHRBBMRSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCCCCC1 ZINC000629401551 361051854 /nfs/dbraw/zinc/05/18/54/361051854.db2.gz CURHNEJIZFEAIZ-QWHCGFSZSA-N 1 3 210.365 2.439 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629407928 361057217 /nfs/dbraw/zinc/05/72/17/361057217.db2.gz NESMMTZNWRKVQZ-RVMXOQNASA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000629406524 361054437 /nfs/dbraw/zinc/05/44/37/361054437.db2.gz NIJYSLSFBKFDLE-KSSYENDESA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629408240 361058615 /nfs/dbraw/zinc/05/86/15/361058615.db2.gz SDAQRKIVWSXRRG-ZDEQEGDKSA-N 1 3 210.365 2.295 20 0 BEADHO CCC[C@@H](C)CCC[N@H+](C)CCCN ZINC000629515006 361112956 /nfs/dbraw/zinc/11/29/56/361112956.db2.gz OTOYFQQLSMUJJE-GFCCVEGCSA-N 1 3 200.370 2.483 20 0 BEADHO CCC[C@@H](C)CCC[N@@H+](C)CCCN ZINC000629515006 361112960 /nfs/dbraw/zinc/11/29/60/361112960.db2.gz OTOYFQQLSMUJJE-GFCCVEGCSA-N 1 3 200.370 2.483 20 0 BEADHO CCC[C@@H](C)CCCN(C)CCC[NH3+] ZINC000629515006 361112965 /nfs/dbraw/zinc/11/29/65/361112965.db2.gz OTOYFQQLSMUJJE-GFCCVEGCSA-N 1 3 200.370 2.483 20 0 BEADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C(C)C)C1CC1 ZINC000629526168 361128496 /nfs/dbraw/zinc/12/84/96/361128496.db2.gz MBASBFRGMVVSJS-XQQFMLRXSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C(C)C)C1CC1 ZINC000629526168 361128497 /nfs/dbraw/zinc/12/84/97/361128497.db2.gz MBASBFRGMVVSJS-XQQFMLRXSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@@H]1C[C@H]1C ZINC000629528119 361131958 /nfs/dbraw/zinc/13/19/58/361131958.db2.gz PNFYEGIHXFBEBI-NAWOPXAZSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CCC1 ZINC000629528432 361137294 /nfs/dbraw/zinc/13/72/94/361137294.db2.gz ZCRYOPWXEOIPRD-FRRDWIJNSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CCCC1 ZINC000629526049 361127159 /nfs/dbraw/zinc/12/71/59/361127159.db2.gz JOUZKAJANIXBKM-KGYLQXTDSA-N 1 3 210.365 2.295 20 0 BEADHO CCSCCN(C)CC[C@H]([NH3+])C(C)C ZINC000158584728 361204725 /nfs/dbraw/zinc/20/47/25/361204725.db2.gz LQPVYOPCANNBLS-NSHDSACASA-N 1 3 218.410 2.045 20 0 BEADHO CCOCCN(C)CCCC[NH+]1CCCCC1 ZINC000640530960 361301946 /nfs/dbraw/zinc/30/19/46/361301946.db2.gz JTCGLDCNATUCMR-UHFFFAOYSA-N 1 3 242.407 2.221 20 0 BEADHO C[C@H](NCC1CC(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000622044867 370674405 /nfs/dbraw/zinc/67/44/05/370674405.db2.gz WGGDSEXHQAMGHZ-MVKMKZAISA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043842 370676089 /nfs/dbraw/zinc/67/60/89/370676089.db2.gz NNAKMAUQVPWRGI-AXFHLTTASA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000429593165 201120884 /nfs/dbraw/zinc/12/08/84/201120884.db2.gz VGMGOBHJHVFPPQ-JOYOIKCWSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1NC(C1CCC1)C1CCC1 ZINC000629543806 361413156 /nfs/dbraw/zinc/41/31/56/361413156.db2.gz BSFULPCJOHRSTR-GXFFZTMASA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000629543806 361413157 /nfs/dbraw/zinc/41/31/57/361413157.db2.gz BSFULPCJOHRSTR-GXFFZTMASA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000629543761 361413440 /nfs/dbraw/zinc/41/34/40/361413440.db2.gz AYGZFBLSJGOQMP-BLLLJJGKSA-N 1 3 244.382 2.274 20 0 BEADHO CCSCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429555284 201113615 /nfs/dbraw/zinc/11/36/15/201113615.db2.gz VYFHVYAVIWGZPQ-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CCSCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429555284 201113618 /nfs/dbraw/zinc/11/36/18/201113618.db2.gz VYFHVYAVIWGZPQ-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629544290 361420560 /nfs/dbraw/zinc/42/05/60/361420560.db2.gz JBBDGIAWZIJJOG-WUHRBBMRSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)[C@@H]1CCCC[C@H]1C ZINC000629553333 361439122 /nfs/dbraw/zinc/43/91/22/361439122.db2.gz WCBMGJYZCRCOOK-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@H]1C[C@@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000629555523 361447377 /nfs/dbraw/zinc/44/73/77/361447377.db2.gz WHUPMEWIDANCAV-IDTSFGKNSA-N 1 3 246.354 2.146 20 0 BEADHO CO[C@H]1C[C@@H](CN[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000629555524 361447707 /nfs/dbraw/zinc/44/77/07/361447707.db2.gz WHUPMEWIDANCAV-JLUCKKNBSA-N 1 3 246.354 2.146 20 0 BEADHO Cc1ccsc1[C@@H](C)NCCOCCC[NH3+] ZINC000629541578 361416575 /nfs/dbraw/zinc/41/65/75/361416575.db2.gz RIFCMSSMPJGITO-LLVKDONJSA-N 1 3 242.388 2.073 20 0 BEADHO C(CNC1CC1)C[NH2+]CC1CCCCC1 ZINC000163428435 361478123 /nfs/dbraw/zinc/47/81/23/361478123.db2.gz XSJQOYVVGWRXRY-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@H]([NH3+])c1ccc(CNCC2=CCCOC2)cc1 ZINC000629647913 361538807 /nfs/dbraw/zinc/53/88/07/361538807.db2.gz KCEUINMDEUNPBC-LBPRGKRZSA-N 1 3 246.354 2.143 20 0 BEADHO C[NH2+]Cc1ccccc1CNCc1ccn(C)c1 ZINC000629650365 361547762 /nfs/dbraw/zinc/54/77/62/361547762.db2.gz SMJHHWYIQZVAJA-UHFFFAOYSA-N 1 3 243.354 2.034 20 0 BEADHO CC(C)(C)CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629666140 361587604 /nfs/dbraw/zinc/58/76/04/361587604.db2.gz MTODKNXQWWVPCR-OKILXGFUSA-N 1 3 224.392 2.354 20 0 BEADHO C[NH2+]C[C@H]1CCN(C[C@H](C)Cc2ccccc2)C1 ZINC000435377070 201264760 /nfs/dbraw/zinc/26/47/60/201264760.db2.gz XUHHPSSGITZWTN-GDBMZVCRSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@H]1CC[N@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435377070 201264762 /nfs/dbraw/zinc/26/47/62/201264762.db2.gz XUHHPSSGITZWTN-GDBMZVCRSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@H]1CC[N@@H+](C[C@H](C)Cc2ccccc2)C1 ZINC000435377070 201264764 /nfs/dbraw/zinc/26/47/64/201264764.db2.gz XUHHPSSGITZWTN-GDBMZVCRSA-N 1 3 246.398 2.407 20 0 BEADHO C[C@@H](Cc1ccccc1)CN1CCC[C@H]1C[NH3+] ZINC000435370289 201264808 /nfs/dbraw/zinc/26/48/08/201264808.db2.gz HZWIENKBJAPESN-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO CCN(CCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623517 201278707 /nfs/dbraw/zinc/27/87/07/201278707.db2.gz HDVGWZZUXPPQOU-OAHLLOKOSA-N 1 3 247.386 2.088 20 0 BEADHO CC[N@H+](CCc1cccnc1)[C@@H]1CCCNCC1 ZINC000435623517 201278708 /nfs/dbraw/zinc/27/87/08/201278708.db2.gz HDVGWZZUXPPQOU-OAHLLOKOSA-N 1 3 247.386 2.088 20 0 BEADHO CC[N@@H+](CCc1cccnc1)[C@@H]1CCCNCC1 ZINC000435623517 201278711 /nfs/dbraw/zinc/27/87/11/201278711.db2.gz HDVGWZZUXPPQOU-OAHLLOKOSA-N 1 3 247.386 2.088 20 0 BEADHO C[NH2+]CCCN1CC[C@H](c2ccccc2)[C@H]1C ZINC000435879357 201292400 /nfs/dbraw/zinc/29/24/00/201292400.db2.gz JPFYYYCEZVFKEA-HIFRSBDPSA-N 1 3 232.371 2.474 20 0 BEADHO C[NH2+]CCCN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000435879359 201292881 /nfs/dbraw/zinc/29/28/81/201292881.db2.gz JPFYYYCEZVFKEA-ZFWWWQNUSA-N 1 3 232.371 2.474 20 0 BEADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCN ZINC000437768107 201372820 /nfs/dbraw/zinc/37/28/20/201372820.db2.gz AQSXWUWCMMEYMY-CQSZACIVSA-N 1 3 220.360 2.255 20 0 BEADHO CCc1nc(CN[C@H](C)CCCC[NH3+])cs1 ZINC000328164556 363853186 /nfs/dbraw/zinc/85/31/86/363853186.db2.gz WBQDWHSZLBPJQT-SNVBAGLBSA-N 1 3 241.404 2.313 20 0 BEADHO C[C@H](CCc1ccco1)NCC1([NH3+])CCC1 ZINC000573675799 364889804 /nfs/dbraw/zinc/88/98/04/364889804.db2.gz LLDXWFNGROPIDF-LLVKDONJSA-N 1 3 222.332 2.072 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN([C@H](C)CCOC)C1 ZINC000446788797 541391432 /nfs/dbraw/zinc/39/14/32/541391432.db2.gz ZIIAFQBUEKTEAG-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446788797 541391436 /nfs/dbraw/zinc/39/14/36/541391436.db2.gz ZIIAFQBUEKTEAG-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446788797 541391437 /nfs/dbraw/zinc/39/14/37/541391437.db2.gz ZIIAFQBUEKTEAG-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000168493632 364941430 /nfs/dbraw/zinc/94/14/30/364941430.db2.gz NJYPBLKGXSXSQP-GHMZBOCLSA-N 1 3 238.400 2.480 20 0 BEADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)[C@@H](C)N ZINC000573953364 364953987 /nfs/dbraw/zinc/95/39/87/364953987.db2.gz ZVYPQCGCOSRBJV-SUNKGSAMSA-N 1 3 248.370 2.398 20 0 BEADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)[C@@H](C)N ZINC000573953362 364954018 /nfs/dbraw/zinc/95/40/18/364954018.db2.gz ZVYPQCGCOSRBJV-GYSYKLTISA-N 1 3 248.370 2.398 20 0 BEADHO NCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000036765324 181380061 /nfs/dbraw/zinc/38/00/61/181380061.db2.gz YEXHZRJGGLWHTL-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@@H+](CC1CC1)C1CCCCC1 ZINC000036765324 181380064 /nfs/dbraw/zinc/38/00/64/181380064.db2.gz YEXHZRJGGLWHTL-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO [NH3+]CCCN1CCC[C@@H]1c1ccccc1 ZINC000034492708 181381353 /nfs/dbraw/zinc/38/13/53/181381353.db2.gz PLCSEZLEEKMIDY-CYBMUJFWSA-N 1 3 204.317 2.172 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000034492708 181381356 /nfs/dbraw/zinc/38/13/56/181381356.db2.gz PLCSEZLEEKMIDY-CYBMUJFWSA-N 1 3 204.317 2.172 20 0 BEADHO NCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000034492708 181381358 /nfs/dbraw/zinc/38/13/58/181381358.db2.gz PLCSEZLEEKMIDY-CYBMUJFWSA-N 1 3 204.317 2.172 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCC2(C(F)(F)F)CC2)C1 ZINC000574415529 365059059 /nfs/dbraw/zinc/05/90/59/365059059.db2.gz YVGBSNZZCVZJCZ-BDAKNGLRSA-N 1 3 236.281 2.188 20 0 BEADHO Cc1ccc(CCCN2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000575759705 365356883 /nfs/dbraw/zinc/35/68/83/365356883.db2.gz WAGCUYXBEXTTHE-DZGCQCFKSA-N 1 3 247.386 2.134 20 0 BEADHO Cc1ccc(CCCN2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000575759706 365356962 /nfs/dbraw/zinc/35/69/62/365356962.db2.gz WAGCUYXBEXTTHE-HIFRSBDPSA-N 1 3 247.386 2.134 20 0 BEADHO CC[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCO1 ZINC000182330887 366887299 /nfs/dbraw/zinc/88/72/99/366887299.db2.gz CUKRRPJXKRCUNA-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000182330887 366887303 /nfs/dbraw/zinc/88/73/03/366887303.db2.gz CUKRRPJXKRCUNA-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCNCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000576099193 365482493 /nfs/dbraw/zinc/48/24/93/365482493.db2.gz HEHUBINCOWDRDZ-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCCN[C@@H]1C[C@H](OC)C1(CC)CC ZINC000580827655 367177795 /nfs/dbraw/zinc/17/77/95/367177795.db2.gz XVQJCRUDGDTDGA-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581059619 367248373 /nfs/dbraw/zinc/24/83/73/367248373.db2.gz QBIPOJLQPKDINJ-LLVKDONJSA-N 1 3 228.286 2.451 20 0 BEADHO c1csc(CCC[NH2+]C2CCNCC2)c1 ZINC000581364252 367394014 /nfs/dbraw/zinc/39/40/14/367394014.db2.gz QCUOILHVVGBDGL-UHFFFAOYSA-N 1 3 224.373 2.022 20 0 BEADHO c1csc(CCCNC2CC[NH2+]CC2)c1 ZINC000581364252 367394018 /nfs/dbraw/zinc/39/40/18/367394018.db2.gz QCUOILHVVGBDGL-UHFFFAOYSA-N 1 3 224.373 2.022 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000384029355 367670196 /nfs/dbraw/zinc/67/01/96/367670196.db2.gz BRQAFALETJUUNW-RWMBFGLXSA-N 1 3 242.432 2.237 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccccc21 ZINC000227134938 181432506 /nfs/dbraw/zinc/43/25/06/181432506.db2.gz MAZDANFVIUBXLZ-AEGPPILISA-N 1 3 230.355 2.391 20 0 BEADHO Cc1cc(CNC[C@@H](C)C[NH3+])c(C)s1 ZINC000581773457 367824484 /nfs/dbraw/zinc/82/44/84/367824484.db2.gz AZKMQEXSLBNUTK-QMMMGPOBSA-N 1 3 212.362 2.049 20 0 BEADHO C[C@H](NC[C@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386100090 367912789 /nfs/dbraw/zinc/91/27/89/367912789.db2.gz JQHZTZLVKPOQFY-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NCC1(C)CCC1)[C@H]1CCCC[NH2+]1 ZINC000386127259 367916273 /nfs/dbraw/zinc/91/62/73/367916273.db2.gz NXXBKFVXXHSRPO-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226562 326018375 /nfs/dbraw/zinc/01/83/75/326018375.db2.gz ZBEDVDNWUYPQLE-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CN[C@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226562 326018378 /nfs/dbraw/zinc/01/83/78/326018378.db2.gz ZBEDVDNWUYPQLE-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([NH2+]CCOC1CCCC1)[C@H]1CCCCN1 ZINC000386034192 367900287 /nfs/dbraw/zinc/90/02/87/367900287.db2.gz RKNZQEJVDZCUJZ-GXTWGEPZSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H](NCC1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000386567240 367993868 /nfs/dbraw/zinc/99/38/68/367993868.db2.gz KNPUPANPQBIODX-DGCLKSJQSA-N 1 3 242.432 2.250 20 0 BEADHO CSCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386596411 367997906 /nfs/dbraw/zinc/99/79/06/367997906.db2.gz SVENNJIBXAMGCM-NWDGAFQWSA-N 1 3 230.421 2.250 20 0 BEADHO CSCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386596414 367998449 /nfs/dbraw/zinc/99/84/49/367998449.db2.gz SVENNJIBXAMGCM-VXGBXAGGSA-N 1 3 230.421 2.250 20 0 BEADHO CSCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386596412 367998983 /nfs/dbraw/zinc/99/89/83/367998983.db2.gz SVENNJIBXAMGCM-RYUDHWBXSA-N 1 3 230.421 2.250 20 0 BEADHO CC(C)CCOCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386451713 367975082 /nfs/dbraw/zinc/97/50/82/367975082.db2.gz OAPAHCAZBHSMTQ-ZIAGYGMSSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)[C@H](C)O ZINC000386835788 368025941 /nfs/dbraw/zinc/02/59/41/368025941.db2.gz IOKZGIZXRVLWKV-RFGFWPKPSA-N 1 3 242.407 2.046 20 0 BEADHO CCc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000567041236 326104719 /nfs/dbraw/zinc/10/47/19/326104719.db2.gz FZVOZVSGGIIDSC-NWDGAFQWSA-N 1 3 220.360 2.464 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCc2cccs2)C1 ZINC000086402014 368879906 /nfs/dbraw/zinc/87/99/06/368879906.db2.gz KCILGDIMEMQHAH-MNOVXSKESA-N 1 3 224.373 2.150 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000086402014 368879911 /nfs/dbraw/zinc/87/99/11/368879911.db2.gz KCILGDIMEMQHAH-MNOVXSKESA-N 1 3 224.373 2.150 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCc2cccs2)C1 ZINC000086402010 368879924 /nfs/dbraw/zinc/87/99/24/368879924.db2.gz KCILGDIMEMQHAH-QWRGUYRKSA-N 1 3 224.373 2.150 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000086402010 368879932 /nfs/dbraw/zinc/87/99/32/368879932.db2.gz KCILGDIMEMQHAH-QWRGUYRKSA-N 1 3 224.373 2.150 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1C[C@H]1C ZINC000623657272 368997511 /nfs/dbraw/zinc/99/75/11/368997511.db2.gz MNZNXGOUYWTIMB-RQJABVFESA-N 1 3 224.392 2.352 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000623656991 368997593 /nfs/dbraw/zinc/99/75/93/368997593.db2.gz HHZAHOAAHCZMRE-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623657094 368998084 /nfs/dbraw/zinc/99/80/84/368998084.db2.gz JRBYVINUVSXNDU-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657094 368998086 /nfs/dbraw/zinc/99/80/86/368998086.db2.gz JRBYVINUVSXNDU-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657779 368998807 /nfs/dbraw/zinc/99/88/07/368998807.db2.gz YXPRIKOCMUWOGH-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1ccccc1CNCCC[NH+]1CCC1 ZINC000309838237 326170524 /nfs/dbraw/zinc/17/05/24/326170524.db2.gz BXOHEPYXIKOZAY-UHFFFAOYSA-N 1 3 218.344 2.180 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000623655836 368991427 /nfs/dbraw/zinc/99/14/27/368991427.db2.gz GZPJSKKWKHMYDS-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1CN ZINC000631837324 369096679 /nfs/dbraw/zinc/09/66/79/369096679.db2.gz QSJAIXGKHHEXPK-RFQIPJPRSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)C[C@H]1CN ZINC000631837324 369096682 /nfs/dbraw/zinc/09/66/82/369096682.db2.gz QSJAIXGKHHEXPK-RFQIPJPRSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@H](NCC(C1CC1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000400631318 369351523 /nfs/dbraw/zinc/35/15/23/369351523.db2.gz LTBKAWNRIMEAJT-IINYFYTJSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CCCN1 ZINC000400631318 369351529 /nfs/dbraw/zinc/35/15/29/369351529.db2.gz LTBKAWNRIMEAJT-IINYFYTJSA-N 1 3 222.376 2.153 20 0 BEADHO Cc1cccc([C@H](C)N2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000203597038 369473318 /nfs/dbraw/zinc/47/33/18/369473318.db2.gz XBPHPELGIVYRHC-NWANDNLSSA-N 1 3 230.355 2.207 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000459737342 203346975 /nfs/dbraw/zinc/34/69/75/203346975.db2.gz QYFSBWACOJJVCO-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737342 203346976 /nfs/dbraw/zinc/34/69/76/203346976.db2.gz QYFSBWACOJJVCO-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1ncccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459738452 203350300 /nfs/dbraw/zinc/35/03/00/203350300.db2.gz RUAMNXNLQSRODL-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ncccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459738452 203350303 /nfs/dbraw/zinc/35/03/03/203350303.db2.gz RUAMNXNLQSRODL-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO CC[C@@H](C[NH2+][C@]12CCC[C@@H]1CNC2)CC(F)F ZINC000631867189 370212276 /nfs/dbraw/zinc/21/22/76/370212276.db2.gz MCUODCFFXVLBAL-WZRBSPASSA-N 1 3 246.345 2.400 20 0 BEADHO CCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120033 371319989 /nfs/dbraw/zinc/31/99/89/371319989.db2.gz QEFGPVZCTRNONB-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123890 371324245 /nfs/dbraw/zinc/32/42/45/371324245.db2.gz SNBGIOCXBXMITM-BARDWOONSA-N 1 3 236.403 2.497 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC000405376883 372156273 /nfs/dbraw/zinc/15/62/73/372156273.db2.gz BQCBAMXXVGRKBG-OLZOCXBDSA-N 1 3 216.328 2.046 20 0 BEADHO C[N@@H+]1CC[C@H](NCC(C)(C)F)[C@@H]2CCC[C@@H]21 ZINC000631665965 372491113 /nfs/dbraw/zinc/49/11/13/372491113.db2.gz ZWTNVFBMOAAQNR-SRVKXCTJSA-N 1 3 228.355 2.197 20 0 BEADHO C[N@H+]1CC[C@H](NCC(C)(C)F)[C@@H]2CCC[C@@H]21 ZINC000631665965 372491116 /nfs/dbraw/zinc/49/11/16/372491116.db2.gz ZWTNVFBMOAAQNR-SRVKXCTJSA-N 1 3 228.355 2.197 20 0 BEADHO CN1CC[C@H]([NH2+]CC(C)(C)F)[C@@H]2CCC[C@@H]21 ZINC000631665965 372491119 /nfs/dbraw/zinc/49/11/19/372491119.db2.gz ZWTNVFBMOAAQNR-SRVKXCTJSA-N 1 3 228.355 2.197 20 0 BEADHO C[N@@H+]1CC[C@H](NCC(C)(C)F)[C@H]2CCC[C@H]21 ZINC000631665961 372491292 /nfs/dbraw/zinc/49/12/92/372491292.db2.gz ZWTNVFBMOAAQNR-GRYCIOLGSA-N 1 3 228.355 2.197 20 0 BEADHO C[N@H+]1CC[C@H](NCC(C)(C)F)[C@H]2CCC[C@H]21 ZINC000631665961 372491295 /nfs/dbraw/zinc/49/12/95/372491295.db2.gz ZWTNVFBMOAAQNR-GRYCIOLGSA-N 1 3 228.355 2.197 20 0 BEADHO CN1CC[C@H]([NH2+]CC(C)(C)F)[C@H]2CCC[C@H]21 ZINC000631665961 372491298 /nfs/dbraw/zinc/49/12/98/372491298.db2.gz ZWTNVFBMOAAQNR-GRYCIOLGSA-N 1 3 228.355 2.197 20 0 BEADHO Cc1cc(C)c(CN2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1 ZINC000631837374 372627921 /nfs/dbraw/zinc/62/79/21/372627921.db2.gz RQHKSHDMLQEHAJ-BXUZGUMPSA-N 1 3 247.386 2.033 20 0 BEADHO C[C@@H]1CN(CCCc2ccsc2)C[C@H]1C[NH3+] ZINC000631838175 372631490 /nfs/dbraw/zinc/63/14/90/372631490.db2.gz JYZGCQODLNGQKP-DGCLKSJQSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H]1C[N@H+](CCCc2ccsc2)C[C@H]1CN ZINC000631838175 372631495 /nfs/dbraw/zinc/63/14/95/372631495.db2.gz JYZGCQODLNGQKP-DGCLKSJQSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H]1C[N@@H+](CCCc2ccsc2)C[C@H]1CN ZINC000631838175 372631503 /nfs/dbraw/zinc/63/15/03/372631503.db2.gz JYZGCQODLNGQKP-DGCLKSJQSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H](c1ccccc1)[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631843059 372640260 /nfs/dbraw/zinc/64/02/60/372640260.db2.gz IYTBBTLFGLFRGA-MBNYWOFBSA-N 1 3 218.344 2.274 20 0 BEADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631843059 372640265 /nfs/dbraw/zinc/64/02/65/372640265.db2.gz IYTBBTLFGLFRGA-MBNYWOFBSA-N 1 3 218.344 2.274 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631844459 372643398 /nfs/dbraw/zinc/64/33/98/372643398.db2.gz XLDPZFZRFUFVRV-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)c1 ZINC000631844459 372643403 /nfs/dbraw/zinc/64/34/03/372643403.db2.gz XLDPZFZRFUFVRV-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)c1 ZINC000631844459 372643407 /nfs/dbraw/zinc/64/34/07/372643407.db2.gz XLDPZFZRFUFVRV-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000631826999 372606168 /nfs/dbraw/zinc/60/61/68/372606168.db2.gz CCZNEMWSAILFQR-MNOVXSKESA-N 1 3 246.345 2.400 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H](C2CCC2)CC1 ZINC000631872413 372673541 /nfs/dbraw/zinc/67/35/41/372673541.db2.gz AIPXEVPYANMVEH-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631872413 372673545 /nfs/dbraw/zinc/67/35/45/372673545.db2.gz AIPXEVPYANMVEH-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631872413 372673550 /nfs/dbraw/zinc/67/35/50/372673550.db2.gz AIPXEVPYANMVEH-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)c2ccccc21 ZINC000424378112 206039168 /nfs/dbraw/zinc/03/91/68/206039168.db2.gz SCQKFUVMMFOPEF-UPJWGTAASA-N 1 3 214.312 2.273 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CNC1 ZINC000424379861 206040480 /nfs/dbraw/zinc/04/04/80/206040480.db2.gz PJVYANFGTFWXTN-SCDSUCTJSA-N 1 3 222.376 2.153 20 0 BEADHO CSc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000220518870 134309793 /nfs/dbraw/zinc/30/97/93/134309793.db2.gz HKXYYRHBHFDAOA-SNVBAGLBSA-N 1 3 224.373 2.235 20 0 BEADHO C[N@H+]1CCC[C@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312146 /nfs/dbraw/zinc/31/21/46/134312146.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 1 3 240.467 2.280 20 0 BEADHO CCCN1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000020189512 169188273 /nfs/dbraw/zinc/18/82/73/169188273.db2.gz UTVSXXKZRFHNNR-UHFFFAOYSA-N 1 3 248.370 2.356 20 0 BEADHO c1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000063197526 183339682 /nfs/dbraw/zinc/33/96/82/183339682.db2.gz UUDLRRBVNVORNL-OAHLLOKOSA-N 1 3 245.370 2.046 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309946601 169206313 /nfs/dbraw/zinc/20/63/13/169206313.db2.gz DOXOSQANLWWOOE-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000309942949 169206964 /nfs/dbraw/zinc/20/69/64/169206964.db2.gz CGXZLYTYHQSSOW-QWHCGFSZSA-N 1 3 242.432 2.061 20 0 BEADHO c1ccc(CCCN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336786237 183392199 /nfs/dbraw/zinc/39/21/99/183392199.db2.gz BLSBULBRIMFOLM-HOTGVXAUSA-N 1 3 244.382 2.161 20 0 BEADHO c1ccc2c(c1)nccc2NC[C@@H]1CC[NH2+]C1 ZINC000133796353 183438647 /nfs/dbraw/zinc/43/86/47/183438647.db2.gz FRKYBGMXLGMGFZ-LLVKDONJSA-N 1 3 227.311 2.256 20 0 BEADHO CC1(C)C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222028982 134329377 /nfs/dbraw/zinc/32/93/77/134329377.db2.gz IPVXRFFYDJXAEH-JHJVBQTASA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000222028982 134329378 /nfs/dbraw/zinc/32/93/78/134329378.db2.gz IPVXRFFYDJXAEH-JHJVBQTASA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccs2)C1 ZINC000069626872 383834419 /nfs/dbraw/zinc/83/44/19/383834419.db2.gz YWUQWTDDWTUTAH-QWRGUYRKSA-N 1 3 224.373 2.307 20 0 BEADHO c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000037408230 383974705 /nfs/dbraw/zinc/97/47/05/383974705.db2.gz AKUXGHJGFRAAEP-AWEZNQCLSA-N 1 3 230.355 2.261 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643546099 384017555 /nfs/dbraw/zinc/01/75/55/384017555.db2.gz IHIXTCBPLMOQKZ-ZYHUDNBSSA-N 1 3 208.349 2.049 20 0 BEADHO COCCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546790 384023381 /nfs/dbraw/zinc/02/33/81/384023381.db2.gz UVYZNTUYNOAXHA-OLZOCXBDSA-N 1 3 240.391 2.066 20 0 BEADHO COCCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546789 384023724 /nfs/dbraw/zinc/02/37/24/384023724.db2.gz UVYZNTUYNOAXHA-CHWSQXEVSA-N 1 3 240.391 2.066 20 0 BEADHO CN(C)C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000114478116 384039166 /nfs/dbraw/zinc/03/91/66/384039166.db2.gz LWPGKSJFJFIKBO-OAHLLOKOSA-N 1 3 232.371 2.113 20 0 BEADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000114478116 384039168 /nfs/dbraw/zinc/03/91/68/384039168.db2.gz LWPGKSJFJFIKBO-OAHLLOKOSA-N 1 3 232.371 2.113 20 0 BEADHO C[NH+](C)C[C@H]1CCN(CCc2ccccc2)C1 ZINC000114478116 384039169 /nfs/dbraw/zinc/03/91/69/384039169.db2.gz LWPGKSJFJFIKBO-OAHLLOKOSA-N 1 3 232.371 2.113 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163177171 384069475 /nfs/dbraw/zinc/06/94/75/384069475.db2.gz RBLQPORCPZTZAD-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO CC[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000060720694 134392584 /nfs/dbraw/zinc/39/25/84/134392584.db2.gz NNLSWNZYQXHCHB-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@@H](C)O1 ZINC000449178571 384206008 /nfs/dbraw/zinc/20/60/08/384206008.db2.gz XPNPLKVPIHHRMZ-KSTCHIGDSA-N 1 3 240.391 2.015 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)O1 ZINC000449178571 384206011 /nfs/dbraw/zinc/20/60/11/384206011.db2.gz XPNPLKVPIHHRMZ-KSTCHIGDSA-N 1 3 240.391 2.015 20 0 BEADHO CN(Cc1ccccc1F)CC1CC[NH2+]CC1 ZINC000042436875 384221012 /nfs/dbraw/zinc/22/10/12/384221012.db2.gz FKKVSZSJNQAAIT-UHFFFAOYSA-N 1 3 236.334 2.257 20 0 BEADHO CSCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000173962703 384291540 /nfs/dbraw/zinc/29/15/40/384291540.db2.gz NDCZETXQLAABOW-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CSCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000173962703 384291545 /nfs/dbraw/zinc/29/15/45/384291545.db2.gz NDCZETXQLAABOW-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO Cc1csc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000335590667 384354961 /nfs/dbraw/zinc/35/49/61/384354961.db2.gz HKNBTPJABZZVMN-WCQYABFASA-N 1 3 238.400 2.486 20 0 BEADHO Cc1csc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335590667 384354965 /nfs/dbraw/zinc/35/49/65/384354965.db2.gz HKNBTPJABZZVMN-WCQYABFASA-N 1 3 238.400 2.486 20 0 BEADHO CC(C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835952 384357981 /nfs/dbraw/zinc/35/79/81/384357981.db2.gz IXGJBPWTMYVJNX-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835952 384357987 /nfs/dbraw/zinc/35/79/87/384357987.db2.gz IXGJBPWTMYVJNX-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835952 384357992 /nfs/dbraw/zinc/35/79/92/384357992.db2.gz IXGJBPWTMYVJNX-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO C/C=C\CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384731855 384362731 /nfs/dbraw/zinc/36/27/31/384362731.db2.gz JVAYRUGJWSTPJC-JXLSXLBDSA-N 1 3 210.365 2.463 20 0 BEADHO CCSCCN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174780915 384362869 /nfs/dbraw/zinc/36/28/69/384362869.db2.gz ZBRAWCMEJDBGLS-OLZOCXBDSA-N 1 3 244.448 2.402 20 0 BEADHO CCSCCN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174780915 384362874 /nfs/dbraw/zinc/36/28/74/384362874.db2.gz ZBRAWCMEJDBGLS-OLZOCXBDSA-N 1 3 244.448 2.402 20 0 BEADHO C[C@H](Cc1ccccc1F)NCCC[NH+](C)C ZINC000134047651 384328267 /nfs/dbraw/zinc/32/82/67/384328267.db2.gz OOJOPKWCUATTJO-GFCCVEGCSA-N 1 3 238.350 2.298 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCc1ccccc1 ZINC000405431079 384332889 /nfs/dbraw/zinc/33/28/89/384332889.db2.gz AXRFRLMRLQEOND-ZIAGYGMSSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccccn1 ZINC000159013986 384333096 /nfs/dbraw/zinc/33/30/96/384333096.db2.gz SHZKZICFRGNPKA-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCCN[C@@H]1C ZINC000335644271 384416151 /nfs/dbraw/zinc/41/61/51/384416151.db2.gz SQIYEUGDRZQFFE-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO CC(C)C1([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000334195348 384388659 /nfs/dbraw/zinc/38/86/59/384388659.db2.gz KFACJIPGTSLVCL-CHWSQXEVSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000181139717 384460080 /nfs/dbraw/zinc/46/00/80/384460080.db2.gz UCQYOHNOAKDWQR-YNEHKIRRSA-N 1 3 210.365 2.201 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000181139717 384460083 /nfs/dbraw/zinc/46/00/83/384460083.db2.gz UCQYOHNOAKDWQR-YNEHKIRRSA-N 1 3 210.365 2.201 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CC2=CCOCC2)c2ccccc21 ZINC000335659877 384463083 /nfs/dbraw/zinc/46/30/83/384463083.db2.gz NDCARZXRRCVHQW-GJZGRUSLSA-N 1 3 244.338 2.068 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000449554457 384526063 /nfs/dbraw/zinc/52/60/63/384526063.db2.gz PIIFRJAQMODBHL-YJNKXOJESA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449554457 384526065 /nfs/dbraw/zinc/52/60/65/384526065.db2.gz PIIFRJAQMODBHL-YJNKXOJESA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449554457 384526069 /nfs/dbraw/zinc/52/60/69/384526069.db2.gz PIIFRJAQMODBHL-YJNKXOJESA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccncc1 ZINC000019905773 384556705 /nfs/dbraw/zinc/55/67/05/384556705.db2.gz TXIUARBZNMHFNA-LBPRGKRZSA-N 1 3 235.375 2.320 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000306049648 384567960 /nfs/dbraw/zinc/56/79/60/384567960.db2.gz VVGLVEWRQQBXLB-RYUDHWBXSA-N 1 3 246.345 2.353 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000306053943 384569188 /nfs/dbraw/zinc/56/91/88/384569188.db2.gz WXWNKODGXHLZMY-UTUOFQBUSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@@H]1CN ZINC000306053943 384569193 /nfs/dbraw/zinc/56/91/93/384569193.db2.gz WXWNKODGXHLZMY-UTUOFQBUSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C[C@@H]1C[NH3+] ZINC000306053943 384569206 /nfs/dbraw/zinc/56/92/06/384569206.db2.gz WXWNKODGXHLZMY-UTUOFQBUSA-N 1 3 246.345 2.339 20 0 BEADHO CC[C@@](C)(C[NH2+]C[C@@H]1CCN(C(C)C)C1)OC ZINC000319894241 384573042 /nfs/dbraw/zinc/57/30/42/384573042.db2.gz PJQSRSISNFXFPI-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@](C)(CNC[C@@H]1CC[N@@H+](C(C)C)C1)OC ZINC000319894241 384573052 /nfs/dbraw/zinc/57/30/52/384573052.db2.gz PJQSRSISNFXFPI-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@](C)(CNC[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894241 384573058 /nfs/dbraw/zinc/57/30/58/384573058.db2.gz PJQSRSISNFXFPI-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO c1ccc(C[NH2+]CCCN2CCCC2)cc1 ZINC000020129132 384582275 /nfs/dbraw/zinc/58/22/75/384582275.db2.gz AALQCSNILIQQBA-UHFFFAOYSA-N 1 3 218.344 2.262 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)n1 ZINC000423087189 384565719 /nfs/dbraw/zinc/56/57/19/384565719.db2.gz OYTOHPRLWLQLLY-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423087189 384565724 /nfs/dbraw/zinc/56/57/24/384565724.db2.gz OYTOHPRLWLQLLY-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000086404363 384646577 /nfs/dbraw/zinc/64/65/77/384646577.db2.gz SMPRYMGHYAGJJI-DRZSPHRISA-N 1 3 210.365 2.425 20 0 BEADHO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000357716676 384682365 /nfs/dbraw/zinc/68/23/65/384682365.db2.gz OWQBZLCFGJGDKC-VHSXEESVSA-N 1 3 220.307 2.139 20 0 BEADHO CCc1ccccc1CNC1CC[NH+](C)CC1 ZINC000052200884 384726308 /nfs/dbraw/zinc/72/63/08/384726308.db2.gz ZJKLWIXSFURMQV-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO CN(Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000082666636 384701602 /nfs/dbraw/zinc/70/16/02/384701602.db2.gz YICRVFXFCKIOTE-AWEZNQCLSA-N 1 3 218.344 2.261 20 0 BEADHO CC(C)(C)CCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000300921865 384712305 /nfs/dbraw/zinc/71/23/05/384712305.db2.gz TZRQBFJFHFVKSN-ZDUSSCGKSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000300921865 384712310 /nfs/dbraw/zinc/71/23/10/384712310.db2.gz TZRQBFJFHFVKSN-ZDUSSCGKSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)s1 ZINC000125479536 384722169 /nfs/dbraw/zinc/72/21/69/384722169.db2.gz GBJHYACXGDMTMX-GFCCVEGCSA-N 1 3 238.400 2.440 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)s1 ZINC000125479536 384722172 /nfs/dbraw/zinc/72/21/72/384722172.db2.gz GBJHYACXGDMTMX-GFCCVEGCSA-N 1 3 238.400 2.440 20 0 BEADHO CCSCC[NH2+]CCCN1CCC(C)CC1 ZINC000309942824 384734350 /nfs/dbraw/zinc/73/43/50/384734350.db2.gz CFRSTJQXZNLQMT-UHFFFAOYSA-N 1 3 244.448 2.451 20 0 BEADHO CCSCCNCCC[NH+]1CCC(C)CC1 ZINC000309942824 384734354 /nfs/dbraw/zinc/73/43/54/384734354.db2.gz CFRSTJQXZNLQMT-UHFFFAOYSA-N 1 3 244.448 2.451 20 0 BEADHO CCSCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000300968116 384740748 /nfs/dbraw/zinc/74/07/48/384740748.db2.gz RNEGOWBMCJJMOR-NEPJUHHUSA-N 1 3 230.421 2.237 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2cnccc2c1 ZINC000647552278 384756725 /nfs/dbraw/zinc/75/67/25/384756725.db2.gz ORAZQCJKKCLVJT-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2cnccc21 ZINC000647552021 384759018 /nfs/dbraw/zinc/75/90/18/384759018.db2.gz AOADMBAAVFLLTI-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO FC1CCC(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000647553101 384765995 /nfs/dbraw/zinc/76/59/95/384765995.db2.gz AYZBKVNBDVNFKK-WXRRBKDZSA-N 1 3 228.355 2.246 20 0 BEADHO Cc1ccc(C2(NCCC[NH3+])CCC2)cc1 ZINC000647553366 384768498 /nfs/dbraw/zinc/76/84/98/384768498.db2.gz XDQDIKIIKHUBCJ-UHFFFAOYSA-N 1 3 218.344 2.313 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCNC12CCCC2 ZINC000647554299 384771280 /nfs/dbraw/zinc/77/12/80/384771280.db2.gz WGJANKGXQFXNNP-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247388219 384837424 /nfs/dbraw/zinc/83/74/24/384837424.db2.gz VKQGXOPBVUMMTB-CHWSQXEVSA-N 1 3 224.392 2.495 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000107786779 384782447 /nfs/dbraw/zinc/78/24/47/384782447.db2.gz LLTOZJYRRUBMFE-BXUZGUMPSA-N 1 3 236.359 2.329 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)cc1 ZINC000107786784 384782517 /nfs/dbraw/zinc/78/25/17/384782517.db2.gz LLTOZJYRRUBMFE-RISCZKNCSA-N 1 3 236.359 2.329 20 0 BEADHO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCCNC ZINC000310032344 384799348 /nfs/dbraw/zinc/79/93/48/384799348.db2.gz RLBATALYANPPQC-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)[C@H]1CCCC[N@H+]1CCCNC ZINC000310032344 384799353 /nfs/dbraw/zinc/79/93/53/384799353.db2.gz RLBATALYANPPQC-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCCNC ZINC000310032342 384800509 /nfs/dbraw/zinc/80/05/09/384800509.db2.gz RLBATALYANPPQC-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCCNC ZINC000310032342 384800515 /nfs/dbraw/zinc/80/05/15/384800515.db2.gz RLBATALYANPPQC-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccncc1[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423363741 384841028 /nfs/dbraw/zinc/84/10/28/384841028.db2.gz AGXGGRYEJPPPIL-XQQFMLRXSA-N 1 3 233.359 2.311 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000423370324 384842332 /nfs/dbraw/zinc/84/23/32/384842332.db2.gz PLJKVYRNZLYMMK-IJLUTSLNSA-N 1 3 208.349 2.179 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)O1 ZINC000398210646 384845685 /nfs/dbraw/zinc/84/56/85/384845685.db2.gz JIZISKGBRVKOKZ-YIKOMLBNSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(CO)c1 ZINC000423376900 384849224 /nfs/dbraw/zinc/84/92/24/384849224.db2.gz JFWWSVNWHWOYPO-NILFDRSVSA-N 1 3 248.370 2.099 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423388128 384854049 /nfs/dbraw/zinc/85/40/49/384854049.db2.gz TUSPGBCJOHOJBW-NDBYEHHHSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1ccc(C[NH2+]CC(C)(C)N)cc1C ZINC000258925380 384950539 /nfs/dbraw/zinc/95/05/39/384950539.db2.gz UVVICMXIKYGYSV-UHFFFAOYSA-N 1 3 206.333 2.130 20 0 BEADHO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000259266009 384959712 /nfs/dbraw/zinc/95/97/12/384959712.db2.gz ZLAUJSBLFKBHFV-KBPBESRZSA-N 1 3 234.343 2.055 20 0 BEADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)O1 ZINC000404274815 384965738 /nfs/dbraw/zinc/96/57/38/384965738.db2.gz AHFGYRZBYAPEPR-SYQHCUMBSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)O1 ZINC000404274815 384965745 /nfs/dbraw/zinc/96/57/45/384965745.db2.gz AHFGYRZBYAPEPR-SYQHCUMBSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](CN2CCC[C@@H](C)[C@@H]2CC[NH3+])O1 ZINC000404274815 384965753 /nfs/dbraw/zinc/96/57/53/384965753.db2.gz AHFGYRZBYAPEPR-SYQHCUMBSA-N 1 3 240.391 2.003 20 0 BEADHO Cc1cnccc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404265926 384967073 /nfs/dbraw/zinc/96/70/73/384967073.db2.gz HHTKPNIPEAPNGK-IUODEOHRSA-N 1 3 247.386 2.339 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2)s1 ZINC000043327589 385001367 /nfs/dbraw/zinc/00/13/67/385001367.db2.gz ZFRAJAXWPLGORY-QWRGUYRKSA-N 1 3 224.373 2.459 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](N)C2(C)C)cc1 ZINC000404765914 385055390 /nfs/dbraw/zinc/05/53/90/385055390.db2.gz GJXZFKFUVPTGKD-OLZOCXBDSA-N 1 3 218.344 2.210 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](N)C2(C)C)cc1 ZINC000404765917 385055655 /nfs/dbraw/zinc/05/56/55/385055655.db2.gz GJXZFKFUVPTGKD-QWHCGFSZSA-N 1 3 218.344 2.210 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](N)C2(C)C)cc1 ZINC000404765913 385056878 /nfs/dbraw/zinc/05/68/78/385056878.db2.gz GJXZFKFUVPTGKD-CHWSQXEVSA-N 1 3 218.344 2.210 20 0 BEADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397324448 385082203 /nfs/dbraw/zinc/08/22/03/385082203.db2.gz OFGFDTAYXTZXAB-LOWDOPEQSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397324448 385082206 /nfs/dbraw/zinc/08/22/06/385082206.db2.gz OFGFDTAYXTZXAB-LOWDOPEQSA-N 1 3 212.381 2.338 20 0 BEADHO Cc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000227056258 385086679 /nfs/dbraw/zinc/08/66/79/385086679.db2.gz LTOCQTFKTFIULR-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CSC1(C[NH2+]CCCN(C)C(C)C)CC1 ZINC000308778511 385090929 /nfs/dbraw/zinc/09/09/29/385090929.db2.gz BOOVAIIPKCRFFW-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO CSC1(CNCCC[N@H+](C)C(C)C)CC1 ZINC000308778511 385090937 /nfs/dbraw/zinc/09/09/37/385090937.db2.gz BOOVAIIPKCRFFW-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO CSC1(CNCCC[N@@H+](C)C(C)C)CC1 ZINC000308778511 385090938 /nfs/dbraw/zinc/09/09/38/385090938.db2.gz BOOVAIIPKCRFFW-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200532 385106330 /nfs/dbraw/zinc/10/63/30/385106330.db2.gz WAJVGTQPDLBEFU-VNHYZAJKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000227200532 385106337 /nfs/dbraw/zinc/10/63/37/385106337.db2.gz WAJVGTQPDLBEFU-VNHYZAJKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000227200532 385106341 /nfs/dbraw/zinc/10/63/41/385106341.db2.gz WAJVGTQPDLBEFU-VNHYZAJKSA-N 1 3 232.371 2.459 20 0 BEADHO C1CC12C[C@@H]2N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424373153 385154269 /nfs/dbraw/zinc/15/42/69/385154269.db2.gz IZVPWJXHJSGRMG-CYDGBPFRSA-N 1 3 220.360 2.049 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CC12CC2 ZINC000424373919 385154364 /nfs/dbraw/zinc/15/43/64/385154364.db2.gz KFICGXOWJWLBKU-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C1CC12C[C@@H]2N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424372892 385155453 /nfs/dbraw/zinc/15/54/53/385155453.db2.gz ITYISLYWBVHBDA-CRWXNKLISA-N 1 3 234.387 2.439 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000300988785 385221776 /nfs/dbraw/zinc/22/17/76/385221776.db2.gz VEXJHFDRUGUPBX-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000300988785 385221784 /nfs/dbraw/zinc/22/17/84/385221784.db2.gz VEXJHFDRUGUPBX-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)C[C@H]2C)c(C)c1 ZINC000228065150 385324056 /nfs/dbraw/zinc/32/40/56/385324056.db2.gz GZXLNDPIBQVYBH-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)c(C)c1 ZINC000228065150 385324060 /nfs/dbraw/zinc/32/40/60/385324060.db2.gz GZXLNDPIBQVYBH-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000228065150 385324063 /nfs/dbraw/zinc/32/40/63/385324063.db2.gz GZXLNDPIBQVYBH-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000065461368 385313888 /nfs/dbraw/zinc/31/38/88/385313888.db2.gz OFQDAAAUSJUOQN-LBPRGKRZSA-N 1 3 241.338 2.015 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000228152741 385350193 /nfs/dbraw/zinc/35/01/93/385350193.db2.gz PRCNGZXCSUWUII-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C(C)(C)C ZINC000179470089 385377138 /nfs/dbraw/zinc/37/71/38/385377138.db2.gz NUWWEYNZAVGDQA-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO CS[C@H](C)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000169087652 385405190 /nfs/dbraw/zinc/40/51/90/385405190.db2.gz HHIFPTUBNVWPMY-ICCXJUOJSA-N 1 3 236.384 2.472 20 0 BEADHO CCC(CC)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422863275 385463917 /nfs/dbraw/zinc/46/39/17/385463917.db2.gz RNXPPDVLBYQAGJ-YPMHNXCESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](CN)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000309267711 385504341 /nfs/dbraw/zinc/50/43/41/385504341.db2.gz CKZSLDGNQVLIAJ-STQMWFEESA-N 1 3 220.360 2.365 20 0 BEADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336729580 385533791 /nfs/dbraw/zinc/53/37/91/385533791.db2.gz JDKSUNLPZLSPQU-VXGBXAGGSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccccc1 ZINC000309341394 385540645 /nfs/dbraw/zinc/54/06/45/385540645.db2.gz LCRHFOHXBPTHBA-CHWSQXEVSA-N 1 3 220.360 2.192 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccccc1C ZINC000414848360 385615546 /nfs/dbraw/zinc/61/55/46/385615546.db2.gz WUSYOGZZOSGAHC-OCCSQVGLSA-N 1 3 234.387 2.371 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000414848360 385615554 /nfs/dbraw/zinc/61/55/54/385615554.db2.gz WUSYOGZZOSGAHC-OCCSQVGLSA-N 1 3 234.387 2.371 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000414850974 385646956 /nfs/dbraw/zinc/64/69/56/385646956.db2.gz ZWPSPBILWPUERV-XQHKEYJVSA-N 1 3 212.381 2.256 20 0 BEADHO CCS[C@@H]1CCCCN(CCC[NH2+]C)C1 ZINC000309540729 385673772 /nfs/dbraw/zinc/67/37/72/385673772.db2.gz YFCLINMSDPHISE-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CCS[C@@H]1CCCC[N@H+](CCCNC)C1 ZINC000309540729 385673777 /nfs/dbraw/zinc/67/37/77/385673777.db2.gz YFCLINMSDPHISE-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CCS[C@@H]1CCCC[N@@H+](CCCNC)C1 ZINC000309540729 385673782 /nfs/dbraw/zinc/67/37/82/385673782.db2.gz YFCLINMSDPHISE-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO Cc1csc(CNCCC[C@H]2CCC[NH2+]2)n1 ZINC000336686143 385698067 /nfs/dbraw/zinc/69/80/67/385698067.db2.gz UMXGIPUPCODKIT-NSHDSACASA-N 1 3 239.388 2.073 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000336691920 385729694 /nfs/dbraw/zinc/72/96/94/385729694.db2.gz HPPLNZMQDDLCJW-BXUZGUMPSA-N 1 3 236.359 2.331 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336691814 385729924 /nfs/dbraw/zinc/72/99/24/385729924.db2.gz WYZJPLUFHVWFMT-MGPQQGTHSA-N 1 3 224.392 2.352 20 0 BEADHO CNCCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414862057 385749018 /nfs/dbraw/zinc/74/90/18/385749018.db2.gz UMOYOZIBICCJSV-ZDUSSCGKSA-N 1 3 220.360 2.064 20 0 BEADHO C[NH2+]CCCNC[C@@H](C)Cc1ccccc1 ZINC000414862057 385749020 /nfs/dbraw/zinc/74/90/20/385749020.db2.gz UMOYOZIBICCJSV-ZDUSSCGKSA-N 1 3 220.360 2.064 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414863075 385755510 /nfs/dbraw/zinc/75/55/10/385755510.db2.gz WRVDNELMRYJKSF-VIFPVBQESA-N 1 3 226.286 2.307 20 0 BEADHO c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@H]2CCCNC2)cc1 ZINC000414864520 385763793 /nfs/dbraw/zinc/76/37/93/385763793.db2.gz YROFYAIFYRMXCU-BPUTZDHNSA-N 1 3 244.382 2.379 20 0 BEADHO C[C@@H](CCCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000414865317 385768852 /nfs/dbraw/zinc/76/88/52/385768852.db2.gz KPRAEVRKSKRUPO-UWVGGRQHSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@@H](CCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000414866234 385774676 /nfs/dbraw/zinc/77/46/76/385774676.db2.gz MRQZLSLYRHKZNB-IUCAKERBSA-N 1 3 224.270 2.059 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414947835 385805938 /nfs/dbraw/zinc/80/59/38/385805938.db2.gz XDYATMKOHDZYRA-RUZUBIRVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414947838 385806079 /nfs/dbraw/zinc/80/60/79/385806079.db2.gz XDYATMKOHDZYRA-ZZVYKPCYSA-N 1 3 222.376 2.153 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647800413 385806504 /nfs/dbraw/zinc/80/65/04/385806504.db2.gz AVTYFZJRPLYGSL-KBUPBQIOSA-N 1 3 230.355 2.260 20 0 BEADHO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000414867928 385807291 /nfs/dbraw/zinc/80/72/91/385807291.db2.gz GVNXBNQYBSBIRC-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](NC[C@@H](C)CC(F)F)[C@@H]1CCCC[NH2+]1 ZINC000647800556 385807420 /nfs/dbraw/zinc/80/74/20/385807420.db2.gz FGYWEMBRTHSLFL-AXFHLTTASA-N 1 3 234.334 2.398 20 0 BEADHO CC1(C)CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 ZINC000414867660 385811025 /nfs/dbraw/zinc/81/10/25/385811025.db2.gz GVNXBNQYBSBIRC-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc(Cl)ccc1CNC[C@@H](C)C[NH3+] ZINC000414871631 385857259 /nfs/dbraw/zinc/85/72/59/385857259.db2.gz DQUBJKREFAFGFN-VIFPVBQESA-N 1 3 226.751 2.333 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C)CCN1 ZINC000414954539 385829838 /nfs/dbraw/zinc/82/98/38/385829838.db2.gz SQSCZDJTWXXKFS-LOWDOPEQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414955469 385837141 /nfs/dbraw/zinc/83/71/41/385837141.db2.gz UHYKELUTEWLRJY-OPRDCNLKSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414869624 385838323 /nfs/dbraw/zinc/83/83/23/385838323.db2.gz AYVDMCVRONKYEU-QHSBEEBCSA-N 1 3 232.371 2.363 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804641 385839005 /nfs/dbraw/zinc/83/90/05/385839005.db2.gz WHYGTOXMOPHGRS-RYSNWHEDSA-N 1 3 242.382 2.492 20 0 BEADHO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H](C)CN ZINC000414869838 385841623 /nfs/dbraw/zinc/84/16/23/385841623.db2.gz BHNHYHFEAUOYHZ-NWDGAFQWSA-N 1 3 238.350 2.331 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN ZINC000414870687 385848960 /nfs/dbraw/zinc/84/89/60/385848960.db2.gz CDUSHZDIAVOZLV-GXTWGEPZSA-N 1 3 220.360 2.192 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340462344 385850577 /nfs/dbraw/zinc/85/05/77/385850577.db2.gz LTNNGYLZHGSPQM-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)[C@@]1(C)CCCO1 ZINC000340462344 385850582 /nfs/dbraw/zinc/85/05/82/385850582.db2.gz LTNNGYLZHGSPQM-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000414962901 385887195 /nfs/dbraw/zinc/88/71/95/385887195.db2.gz SUMOAJJIMCUDMP-XQHKEYJVSA-N 1 3 212.381 2.399 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H]1CCCC[C@@H]1C ZINC000414965885 385913738 /nfs/dbraw/zinc/91/37/38/385913738.db2.gz WCGHEKWELNWDMR-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO COc1ccccc1/C=C/CN[C@@H](C)CC[NH3+] ZINC000414877065 385917464 /nfs/dbraw/zinc/91/74/64/385917464.db2.gz FKRQKCPABNRZCE-PZBABLGHSA-N 1 3 234.343 2.035 20 0 BEADHO COCCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814789 385869209 /nfs/dbraw/zinc/86/92/09/385869209.db2.gz GDTWOHCHJUYJIC-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C/c1ccccc1 ZINC000414972698 385988633 /nfs/dbraw/zinc/98/86/33/385988633.db2.gz BISNYNKZMUZTJA-PPGNKHEKSA-N 1 3 204.317 2.027 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041405 385933102 /nfs/dbraw/zinc/93/31/02/385933102.db2.gz PWPFXVMRJWBKHU-VXGBXAGGSA-N 1 3 224.735 2.309 20 0 BEADHO Cc1ccc(C[NH2+]CC2(N)CCC2)cc1C ZINC000414878219 385934956 /nfs/dbraw/zinc/93/49/56/385934956.db2.gz GTKBGZAXALHSSU-UHFFFAOYSA-N 1 3 218.344 2.274 20 0 BEADHO COc1ccccc1/C=C\C[NH2+]CC1(N)CCC1 ZINC000414878321 385936079 /nfs/dbraw/zinc/93/60/79/385936079.db2.gz HCLNEPOWAXKREI-DAXSKMNVSA-N 1 3 246.354 2.179 20 0 BEADHO C[C@H](CCc1ccccc1)NCC1([NH3+])CCC1 ZINC000342146418 385945318 /nfs/dbraw/zinc/94/53/18/385945318.db2.gz SVCZIAPPSQIGFO-CYBMUJFWSA-N 1 3 232.371 2.479 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000251283017 385960552 /nfs/dbraw/zinc/96/05/52/385960552.db2.gz MXKZNYGZJMQMJP-XQQFMLRXSA-N 1 3 242.432 2.379 20 0 BEADHO Cc1cc(CNC[C@@H](C)C[NH3+])cc2cccnc12 ZINC000414879970 385961461 /nfs/dbraw/zinc/96/14/61/385961461.db2.gz QCJAHYLHJFRDFN-NSHDSACASA-N 1 3 243.354 2.228 20 0 BEADHO Fc1ccccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414971489 385973381 /nfs/dbraw/zinc/97/33/81/385973381.db2.gz LKFVZSVSOHKAAE-ZDUSSCGKSA-N 1 3 236.334 2.448 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C1CC1)CN(C)C ZINC000336749619 385997645 /nfs/dbraw/zinc/99/76/45/385997645.db2.gz UIGXOOCJHJODND-BNOWGMLFSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cccc2cccnc21 ZINC000414980523 386055788 /nfs/dbraw/zinc/05/57/88/386055788.db2.gz PNWZSAQCABYQMX-ZDUSSCGKSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000414882309 386012807 /nfs/dbraw/zinc/01/28/07/386012807.db2.gz UABUVFZZEQUROJ-UTUOFQBUSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H](CCc1ccsc1)[NH2+]CCCN ZINC000336751966 386013388 /nfs/dbraw/zinc/01/33/88/386013388.db2.gz GTTKYJOCICZSBW-JTQLQIEISA-N 1 3 212.362 2.008 20 0 BEADHO C[C@@H](CCc1ccsc1)NCCC[NH3+] ZINC000336751966 386013394 /nfs/dbraw/zinc/01/33/94/386013394.db2.gz GTTKYJOCICZSBW-JTQLQIEISA-N 1 3 212.362 2.008 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)NC[C@@H]([NH3+])C1CC1 ZINC000414882590 386017322 /nfs/dbraw/zinc/01/73/22/386017322.db2.gz BYFXOBCWTBOLKS-QMTHXVAHSA-N 1 3 236.334 2.084 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000414185507 386024633 /nfs/dbraw/zinc/02/46/33/386024633.db2.gz OTDAYPUSAYMWGX-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185507 386024640 /nfs/dbraw/zinc/02/46/40/386024640.db2.gz OTDAYPUSAYMWGX-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](CCc1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000414883823 386036284 /nfs/dbraw/zinc/03/62/84/386036284.db2.gz DQDWMGNMBRUZMM-DOMZBBRYSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@H](CNCC1([NH3+])CCC1)c1ccc(F)cc1 ZINC000414884615 386041365 /nfs/dbraw/zinc/04/13/65/386041365.db2.gz VYPXWAGTOGTJEU-LLVKDONJSA-N 1 3 236.334 2.400 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)CCN)Cc1ccccc1 ZINC000414884849 386049425 /nfs/dbraw/zinc/04/94/25/386049425.db2.gz BKLDOASYPOKCKL-STQMWFEESA-N 1 3 220.360 2.192 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000309520710 386051033 /nfs/dbraw/zinc/05/10/33/386051033.db2.gz UBCXZFNSVIPCGJ-YAWVXEGQSA-N 1 3 222.376 2.425 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414980487 386052289 /nfs/dbraw/zinc/05/22/89/386052289.db2.gz ADUPBPLIRWLCGK-AWEZNQCLSA-N 1 3 218.344 2.391 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C1CC1)CN(C)C ZINC000336749621 385996871 /nfs/dbraw/zinc/99/68/71/385996871.db2.gz UIGXOOCJHJODND-MRVWCRGKSA-N 1 3 224.392 2.352 20 0 BEADHO Cc1csc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000335164185 386105683 /nfs/dbraw/zinc/10/56/83/386105683.db2.gz OTTVKAJQHHAZLT-QWRGUYRKSA-N 1 3 210.346 2.026 20 0 BEADHO CCc1cc(OC)ccc1C[NH2+]C[C@@H](N)CC ZINC000414987131 386107768 /nfs/dbraw/zinc/10/77/68/386107768.db2.gz KGYZDAJUNFXUIM-ZDUSSCGKSA-N 1 3 236.359 2.085 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414987124 386108952 /nfs/dbraw/zinc/10/89/52/386108952.db2.gz KFIUMLBLGQXPPB-CQSZACIVSA-N 1 3 248.370 2.302 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc(C2CC2)cc1 ZINC000414889190 386112489 /nfs/dbraw/zinc/11/24/89/386112489.db2.gz GAHRPVHLBNCDJA-NSHDSACASA-N 1 3 218.344 2.391 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1c(C)cccc1C ZINC000414986751 386115007 /nfs/dbraw/zinc/11/50/07/386115007.db2.gz YEOMSAXAMXAGGE-LBPRGKRZSA-N 1 3 206.333 2.130 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](N)C2CC2)c(C)c1 ZINC000414890030 386119011 /nfs/dbraw/zinc/11/90/11/386119011.db2.gz GYEYSYBALMEALC-CQSZACIVSA-N 1 3 218.344 2.130 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CCOC(C)(C)C)CC1 ZINC000365382121 386071823 /nfs/dbraw/zinc/07/18/23/386071823.db2.gz WJBNXTBYDMREMJ-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CCOC(C)(C)C)CC1 ZINC000365382121 386071826 /nfs/dbraw/zinc/07/18/26/386071826.db2.gz WJBNXTBYDMREMJ-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414887751 386094678 /nfs/dbraw/zinc/09/46/78/386094678.db2.gz ZKEHWASEYRQDAF-UPJWGTAASA-N 1 3 220.360 2.363 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414887749 386095047 /nfs/dbraw/zinc/09/50/47/386095047.db2.gz ZKEHWASEYRQDAF-FRRDWIJNSA-N 1 3 220.360 2.363 20 0 BEADHO C[C@H](CC[NH3+])NCc1cc(F)cc2cccnc21 ZINC000414892179 386147704 /nfs/dbraw/zinc/14/77/04/386147704.db2.gz WTIOVFDSICSBLU-SNVBAGLBSA-N 1 3 247.317 2.201 20 0 BEADHO C[C@@H](CCc1ccsc1)NC[C@@H]([NH3+])C1CC1 ZINC000414891864 386147809 /nfs/dbraw/zinc/14/78/09/386147809.db2.gz OTDSKJMVJCQRJE-GXFFZTMASA-N 1 3 238.400 2.396 20 0 BEADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H](N)C1CC1 ZINC000414894212 386170109 /nfs/dbraw/zinc/17/01/09/386170109.db2.gz SLARWIBACISNBI-CYBMUJFWSA-N 1 3 238.762 2.475 20 0 BEADHO CCOC[C@@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414686903 386176383 /nfs/dbraw/zinc/17/63/83/386176383.db2.gz BTGZDVDHGUWMHF-KGLIPLIRSA-N 1 3 242.407 2.108 20 0 BEADHO CCOC[C@@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414686903 386176388 /nfs/dbraw/zinc/17/63/88/386176388.db2.gz BTGZDVDHGUWMHF-KGLIPLIRSA-N 1 3 242.407 2.108 20 0 BEADHO CO[C@H](C)C[N@H+](C[C@H](N)CC(C)C)C(C)C ZINC000414691393 386188265 /nfs/dbraw/zinc/18/82/65/386188265.db2.gz BOJXCHARHXUBSJ-CHWSQXEVSA-N 1 3 230.396 2.105 20 0 BEADHO CO[C@H](C)C[N@@H+](C[C@H](N)CC(C)C)C(C)C ZINC000414691393 386188269 /nfs/dbraw/zinc/18/82/69/386188269.db2.gz BOJXCHARHXUBSJ-CHWSQXEVSA-N 1 3 230.396 2.105 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344294 386135993 /nfs/dbraw/zinc/13/59/93/386135993.db2.gz ROZOWDLSTJMVRP-UMSGYPCISA-N 1 3 234.343 2.065 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344294 386135996 /nfs/dbraw/zinc/13/59/96/386135996.db2.gz ROZOWDLSTJMVRP-UMSGYPCISA-N 1 3 234.343 2.065 20 0 BEADHO N[C@@H](C[NH2+]C/C=C\c1ccccc1)C1CC1 ZINC000414891011 386137729 /nfs/dbraw/zinc/13/77/29/386137729.db2.gz HUYGYXZONSHKOI-ZBKLQPJUSA-N 1 3 216.328 2.027 20 0 BEADHO CO[C@H](C)C[N@H+](C[C@@H](N)CC(C)C)C(C)C ZINC000414691394 386189339 /nfs/dbraw/zinc/18/93/39/386189339.db2.gz BOJXCHARHXUBSJ-OLZOCXBDSA-N 1 3 230.396 2.105 20 0 BEADHO CO[C@H](C)C[N@@H+](C[C@@H](N)CC(C)C)C(C)C ZINC000414691394 386189343 /nfs/dbraw/zinc/18/93/43/386189343.db2.gz BOJXCHARHXUBSJ-OLZOCXBDSA-N 1 3 230.396 2.105 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(F)cc1 ZINC000414989592 386142848 /nfs/dbraw/zinc/14/28/48/386142848.db2.gz NPDVICNPWDXLBD-SMDDNHRTSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccc(F)cc1 ZINC000414989590 386143817 /nfs/dbraw/zinc/14/38/17/386143817.db2.gz NPDVICNPWDXLBD-RISCZKNCSA-N 1 3 238.350 2.474 20 0 BEADHO Cc1cccc(C[NH2+]C[C@H](N)C2CC2)c1C ZINC000414896545 386204630 /nfs/dbraw/zinc/20/46/30/386204630.db2.gz PHKBIGHZWABHIC-AWEZNQCLSA-N 1 3 218.344 2.130 20 0 BEADHO C[C@]1(c2ccccc2)CCC[N@H+](CCCN)C1 ZINC000414704707 386213480 /nfs/dbraw/zinc/21/34/80/386213480.db2.gz WJZYKWIDHIXNDL-HNNXBMFYSA-N 1 3 232.371 2.389 20 0 BEADHO C[C@]1(c2ccccc2)CCC[N@@H+](CCCN)C1 ZINC000414704707 386213483 /nfs/dbraw/zinc/21/34/83/386213483.db2.gz WJZYKWIDHIXNDL-HNNXBMFYSA-N 1 3 232.371 2.389 20 0 BEADHO C[C@@]1(c2ccccc2)CCC[N@H+](CCCN)C1 ZINC000414704709 386213815 /nfs/dbraw/zinc/21/38/15/386213815.db2.gz WJZYKWIDHIXNDL-OAHLLOKOSA-N 1 3 232.371 2.389 20 0 BEADHO C[C@@]1(c2ccccc2)CCC[N@@H+](CCCN)C1 ZINC000414704709 386213816 /nfs/dbraw/zinc/21/38/16/386213816.db2.gz WJZYKWIDHIXNDL-OAHLLOKOSA-N 1 3 232.371 2.389 20 0 BEADHO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCC[NH3+] ZINC000414707115 386216371 /nfs/dbraw/zinc/21/63/71/386216371.db2.gz PBKJOHPPOVUFOY-WCQYABFASA-N 1 3 236.334 2.352 20 0 BEADHO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCN ZINC000414707115 386216373 /nfs/dbraw/zinc/21/63/73/386216373.db2.gz PBKJOHPPOVUFOY-WCQYABFASA-N 1 3 236.334 2.352 20 0 BEADHO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCN ZINC000414707115 386216375 /nfs/dbraw/zinc/21/63/75/386216375.db2.gz PBKJOHPPOVUFOY-WCQYABFASA-N 1 3 236.334 2.352 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2NC[C@H]1CCC[NH2+]C1 ZINC000132016171 386219215 /nfs/dbraw/zinc/21/92/15/386219215.db2.gz PENMQFUCTYRLGJ-WFASDCNBSA-N 1 3 230.355 2.263 20 0 BEADHO CC[C@H](C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000347028712 386220631 /nfs/dbraw/zinc/22/06/31/386220631.db2.gz VWDBSXWWFHBUOT-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@H](C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000347028712 386220637 /nfs/dbraw/zinc/22/06/37/386220637.db2.gz VWDBSXWWFHBUOT-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@H](CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000347028712 386220640 /nfs/dbraw/zinc/22/06/40/386220640.db2.gz VWDBSXWWFHBUOT-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO CCC(O)(CC)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000132147477 386221750 /nfs/dbraw/zinc/22/17/50/386221750.db2.gz WVNRRMKMQACGDR-KGLIPLIRSA-N 1 3 248.370 2.272 20 0 BEADHO [NH3+]CCCN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000414708640 386225702 /nfs/dbraw/zinc/22/57/02/386225702.db2.gz QGSPBAKFTQZRJI-CYBMUJFWSA-N 1 3 236.334 2.039 20 0 BEADHO NCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000414708640 386225704 /nfs/dbraw/zinc/22/57/04/386225704.db2.gz QGSPBAKFTQZRJI-CYBMUJFWSA-N 1 3 236.334 2.039 20 0 BEADHO NCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000414708640 386225707 /nfs/dbraw/zinc/22/57/07/386225707.db2.gz QGSPBAKFTQZRJI-CYBMUJFWSA-N 1 3 236.334 2.039 20 0 BEADHO CCCC[C@H](COC)NC[C@]1(C)CCC[NH2+]C1 ZINC000414899529 386247431 /nfs/dbraw/zinc/24/74/31/386247431.db2.gz CLMDUZITDAASCT-ZIAGYGMSSA-N 1 3 242.407 2.171 20 0 BEADHO CCCC[C@H](COC)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899529 386247439 /nfs/dbraw/zinc/24/74/39/386247439.db2.gz CLMDUZITDAASCT-ZIAGYGMSSA-N 1 3 242.407 2.171 20 0 BEADHO C[C@@H](CNC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000414895596 386194470 /nfs/dbraw/zinc/19/44/70/386194470.db2.gz YBRIYIXJOBGPAR-SMDDNHRTSA-N 1 3 218.344 2.117 20 0 BEADHO CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](C)N ZINC000647885810 386287026 /nfs/dbraw/zinc/28/70/26/386287026.db2.gz SPMDJOGBIFSYLQ-BXUZGUMPSA-N 1 3 218.344 2.343 20 0 BEADHO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)N ZINC000647885810 386287035 /nfs/dbraw/zinc/28/70/35/386287035.db2.gz SPMDJOGBIFSYLQ-BXUZGUMPSA-N 1 3 218.344 2.343 20 0 BEADHO Cn1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289199619 386272951 /nfs/dbraw/zinc/27/29/51/386272951.db2.gz BIRJFVIXEXZJLH-YIONKMFJSA-N 1 3 247.386 2.082 20 0 BEADHO Cn1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289199619 386272955 /nfs/dbraw/zinc/27/29/55/386272955.db2.gz BIRJFVIXEXZJLH-YIONKMFJSA-N 1 3 247.386 2.082 20 0 BEADHO C[C@@H](N)C[NH+]1CCC(C2CCCC2)CC1 ZINC000647890168 386367997 /nfs/dbraw/zinc/36/79/97/386367997.db2.gz WJXUSOOKQVBECZ-LLVKDONJSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@]1(c2ccccc2)CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890170 386368315 /nfs/dbraw/zinc/36/83/15/386368315.db2.gz WSOIPYCXMNFCPP-GDBMZVCRSA-N 1 3 244.382 2.260 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000391466615 386325562 /nfs/dbraw/zinc/32/55/62/386325562.db2.gz QJAWKAMHTIVXGP-AAEUAGOBSA-N 1 3 222.376 2.284 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000230045737 386335198 /nfs/dbraw/zinc/33/51/98/386335198.db2.gz CJUGFXOBRUGASE-AEGPPILISA-N 1 3 248.345 2.385 20 0 BEADHO CC[C@@H](C)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000336707409 386411532 /nfs/dbraw/zinc/41/15/32/386411532.db2.gz GXAURVJFNYLLIE-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2CC2)C1 ZINC000336710394 386425297 /nfs/dbraw/zinc/42/52/97/386425297.db2.gz YYVXWPOAHDMOOT-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2CC2)C1 ZINC000336710394 386425309 /nfs/dbraw/zinc/42/53/09/386425309.db2.gz YYVXWPOAHDMOOT-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000336710394 386425317 /nfs/dbraw/zinc/42/53/17/386425317.db2.gz YYVXWPOAHDMOOT-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000336710394 386425321 /nfs/dbraw/zinc/42/53/21/386425321.db2.gz YYVXWPOAHDMOOT-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO CC[C@@H]1CN(CC[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000647934369 386472309 /nfs/dbraw/zinc/47/23/09/386472309.db2.gz CDDABYTUTIGYMC-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccn1 ZINC000391194719 386473860 /nfs/dbraw/zinc/47/38/60/386473860.db2.gz RCEOAKWVZKCGNZ-NJZAAPMLSA-N 1 3 247.386 2.208 20 0 BEADHO C[C@H](C[N@H+](C)C1CC(N)C1)c1ccc(F)cc1 ZINC000414776347 386474335 /nfs/dbraw/zinc/47/43/35/386474335.db2.gz NGGBXJQCTASCKZ-GWMXKSKGSA-N 1 3 236.334 2.351 20 0 BEADHO C[C@H](C[N@@H+](C)C1CC(N)C1)c1ccc(F)cc1 ZINC000414776347 386474338 /nfs/dbraw/zinc/47/43/38/386474338.db2.gz NGGBXJQCTASCKZ-GWMXKSKGSA-N 1 3 236.334 2.351 20 0 BEADHO c1ccc2c(c1)CC[C@@H](NCC[C@H]1CCC[NH2+]1)C2 ZINC000414912997 386477614 /nfs/dbraw/zinc/47/76/14/386477614.db2.gz ZFTRZLMDKKLALL-HZPDHXFCSA-N 1 3 244.382 2.276 20 0 BEADHO C[C@@H](Cc1ccccc1F)[NH2+]C1CCNCC1 ZINC000414776539 386480644 /nfs/dbraw/zinc/48/06/44/386480644.db2.gz FOQMEGDOROMOTA-NSHDSACASA-N 1 3 236.334 2.098 20 0 BEADHO C[C@@H](Cc1ccccc1F)NC1CC[NH2+]CC1 ZINC000414776539 386480648 /nfs/dbraw/zinc/48/06/48/386480648.db2.gz FOQMEGDOROMOTA-NSHDSACASA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCNCC1 ZINC000062050500 386489963 /nfs/dbraw/zinc/48/99/63/386489963.db2.gz ZVRDTUXVCWNHLQ-LLVKDONJSA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)NC1CC[NH2+]CC1 ZINC000062050500 386489969 /nfs/dbraw/zinc/48/99/69/386489969.db2.gz ZVRDTUXVCWNHLQ-LLVKDONJSA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415019257 386493584 /nfs/dbraw/zinc/49/35/84/386493584.db2.gz RTXIOLQVAGOQGQ-RYUDHWBXSA-N 1 3 248.370 2.301 20 0 BEADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1C ZINC000415015497 386499503 /nfs/dbraw/zinc/49/95/03/386499503.db2.gz YUZVSSOVEFGKLO-NEPJUHHUSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1ccc(F)c(CN[C@@H](C)CCC[NH3+])c1 ZINC000415015446 386501327 /nfs/dbraw/zinc/50/13/27/386501327.db2.gz ARWBGMCWPWXVFK-NSHDSACASA-N 1 3 224.323 2.351 20 0 BEADHO C[C@H](CCc1ccccc1F)N[C@@H](C)[C@H](C)[NH3+] ZINC000415017656 386502043 /nfs/dbraw/zinc/50/20/43/386502043.db2.gz QITOZHFUXDMJPH-WOPDTQHZSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCC[C@@H](C)C1 ZINC000415050484 386505578 /nfs/dbraw/zinc/50/55/78/386505578.db2.gz CWZZBTQGWYSFDC-XQHKEYJVSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1CCCC[C@@H]1CN(C)C1CC([NH3+])C1 ZINC000394819238 386530037 /nfs/dbraw/zinc/53/00/37/386530037.db2.gz FYPMAOMDMMEZSV-OKZRHMCRSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@@H](C)[C@H](C)[NH3+] ZINC000415023605 386513634 /nfs/dbraw/zinc/51/36/34/386513634.db2.gz XGVZTVZHGREGGD-VWYCJHECSA-N 1 3 224.323 2.082 20 0 BEADHO CCCc1csc(CN[C@@H](C)CCC[NH3+])n1 ZINC000415024784 386514831 /nfs/dbraw/zinc/51/48/31/386514831.db2.gz PNIUYRNICFJSPX-JTQLQIEISA-N 1 3 241.404 2.313 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415032415 386519798 /nfs/dbraw/zinc/51/97/98/386519798.db2.gz AKKKHPBHVHISAH-AEGPPILISA-N 1 3 232.371 2.378 20 0 BEADHO CCC1(C)CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415034473 386521279 /nfs/dbraw/zinc/52/12/79/386521279.db2.gz JRARZUYLYLDQPR-XCDXQOEGSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000415034962 386521515 /nfs/dbraw/zinc/52/15/15/386521515.db2.gz KGRLQOOJPXJMKB-GXYBRJDSSA-N 1 3 236.403 2.255 20 0 BEADHO Cc1cc(C)cc(C[NH2+]C[C@@H](N)C(C)C)c1 ZINC000414787283 386522816 /nfs/dbraw/zinc/52/28/16/386522816.db2.gz CDEYQQNSJYQSND-CQSZACIVSA-N 1 3 220.360 2.376 20 0 BEADHO Cc1cccc(CC[C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415036339 386523617 /nfs/dbraw/zinc/52/36/17/386523617.db2.gz LRLATOFMROHFHI-OJLVUWQFSA-N 1 3 244.382 2.124 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C1CCNCC1 ZINC000335453495 386528236 /nfs/dbraw/zinc/52/82/36/386528236.db2.gz WCBVSGQJGSXFMG-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cccc(C)c1CCNC[C@@]1(C)CC[NH2+]C1 ZINC000415077133 386577861 /nfs/dbraw/zinc/57/78/61/386577861.db2.gz DVYWCCUOBSVJIP-MRXNPFEDSA-N 1 3 246.398 2.435 20 0 BEADHO CN1CCC2(CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000335415102 386582006 /nfs/dbraw/zinc/58/20/06/386582006.db2.gz WCSQWWGUZWJYKW-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO CN1CCC2(CCC[N@H+]2Cc2ccccn2)CC1 ZINC000335415102 386582012 /nfs/dbraw/zinc/58/20/12/386582012.db2.gz WCSQWWGUZWJYKW-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO C[C@H](CC[NH+](C)C)N[C@H](C)Cc1ccoc1 ZINC000336757412 386586115 /nfs/dbraw/zinc/58/61/15/386586115.db2.gz YYWCOSMDHKRVFQ-VXGBXAGGSA-N 1 3 224.348 2.140 20 0 BEADHO CCc1cc(OC)ccc1C[NH2+]CC(C)(C)N ZINC000414800397 386586497 /nfs/dbraw/zinc/58/64/97/386586497.db2.gz HXRBIXFHFABZQP-UHFFFAOYSA-N 1 3 236.359 2.085 20 0 BEADHO CCCC[N@@H+]1C[C@H](CN)[C@@H](c2ccccc2)C1 ZINC000337043375 386592268 /nfs/dbraw/zinc/59/22/68/386592268.db2.gz CVEFKETZJLARFP-LSDHHAIUSA-N 1 3 232.371 2.461 20 0 BEADHO CCCC[N@H+]1C[C@H](CN)[C@@H](c2ccccc2)C1 ZINC000337043375 386592272 /nfs/dbraw/zinc/59/22/72/386592272.db2.gz CVEFKETZJLARFP-LSDHHAIUSA-N 1 3 232.371 2.461 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046543 386532358 /nfs/dbraw/zinc/53/23/58/386532358.db2.gz XLPXBTNZQBOPPA-MEBFFEOJSA-N 1 3 224.392 2.255 20 0 BEADHO C[C@]1(CN2CCCc3ccccc3C2)CC[NH2+]C1 ZINC000062946197 386534663 /nfs/dbraw/zinc/53/46/63/386534663.db2.gz PFPWCMMGWKIOPL-INIZCTEOSA-N 1 3 244.382 2.434 20 0 BEADHO CCC1(C)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000062953996 386534717 /nfs/dbraw/zinc/53/47/17/386534717.db2.gz PEZRWIOKHNSKOF-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1(C)CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062959840 386535457 /nfs/dbraw/zinc/53/54/57/386535457.db2.gz YJTIGDSSEKDYBW-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO c1ccc(CNCC2CC[NH+](C3CC3)CC2)nc1 ZINC000278499329 386537203 /nfs/dbraw/zinc/53/72/03/386537203.db2.gz NGGIHVMBTGSPFH-UHFFFAOYSA-N 1 3 245.370 2.046 20 0 BEADHO CC(C)C[C@H](C)CN[C@@H]1CCCC[NH2+]C1 ZINC000415069133 386551547 /nfs/dbraw/zinc/55/15/47/386551547.db2.gz GCNWHMOJKUQPEZ-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415069687 386551780 /nfs/dbraw/zinc/55/17/80/386551780.db2.gz XLPXBTNZQBOPPA-POQQGIQPSA-N 1 3 224.392 2.255 20 0 BEADHO CCC([NH3+])(CC)CN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414802532 386597349 /nfs/dbraw/zinc/59/73/49/386597349.db2.gz BVUFOQMXCDCQJP-CHWSQXEVSA-N 1 3 242.407 2.297 20 0 BEADHO Cc1cccc(OC[C@@H](C)[NH2+]C2CCNCC2)c1 ZINC000415074966 386569746 /nfs/dbraw/zinc/56/97/46/386569746.db2.gz DGHMQAWOJJCJLA-CYBMUJFWSA-N 1 3 248.370 2.104 20 0 BEADHO CC(C)([NH3+])CNC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000415101210 386624393 /nfs/dbraw/zinc/62/43/93/386624393.db2.gz HGDNJWZUPVKCRO-KBPBESRZSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@@H]1C[C@H](NCCOC2CCCC2)CC[N@@H+]1C ZINC000156146854 386625607 /nfs/dbraw/zinc/62/56/07/386625607.db2.gz RUICNPXDCJYEDF-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1C[C@H](NCCOC2CCCC2)CC[N@H+]1C ZINC000156146854 386625609 /nfs/dbraw/zinc/62/56/09/386625609.db2.gz RUICNPXDCJYEDF-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1CCC(F)(F)CC1 ZINC000335498955 386626432 /nfs/dbraw/zinc/62/64/32/386626432.db2.gz ZQVFLSCSDVMWDP-MWLCHTKSSA-N 1 3 232.318 2.152 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000442759902 386630022 /nfs/dbraw/zinc/63/00/22/386630022.db2.gz SPXRBCGITHWYBN-CJNGLKHVSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000442759902 386630029 /nfs/dbraw/zinc/63/00/29/386630029.db2.gz SPXRBCGITHWYBN-CJNGLKHVSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CCN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000442759902 386630039 /nfs/dbraw/zinc/63/00/39/386630039.db2.gz SPXRBCGITHWYBN-CJNGLKHVSA-N 1 3 246.398 2.461 20 0 BEADHO CN1CC=C(C[NH2+]CCC(C)(C)C)CC1 ZINC000336758422 386634688 /nfs/dbraw/zinc/63/46/88/386634688.db2.gz JVAHGDYLNDGKRN-UHFFFAOYSA-N 1 3 210.365 2.274 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC12CCC2)CN(C)C ZINC000336758917 386644643 /nfs/dbraw/zinc/64/46/43/386644643.db2.gz KXQGXZKTUSBWMS-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1 ZINC000414805465 386603236 /nfs/dbraw/zinc/60/32/36/386603236.db2.gz YNSPLXAMGPMCAL-RISCZKNCSA-N 1 3 238.350 2.330 20 0 BEADHO C[C@@H](CCc1ccc(F)cc1)NCC(C)(C)[NH3+] ZINC000414804125 386605330 /nfs/dbraw/zinc/60/53/30/386605330.db2.gz MVZHGVCANCODDI-NSHDSACASA-N 1 3 238.350 2.474 20 0 BEADHO COc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1C ZINC000414803871 386605851 /nfs/dbraw/zinc/60/58/51/386605851.db2.gz OIXCADCGJDIFTO-ZIAGYGMSSA-N 1 3 248.370 2.221 20 0 BEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](N)C(C)C ZINC000414803901 386606017 /nfs/dbraw/zinc/60/60/17/386606017.db2.gz XAQIVDKMRZTKEC-CQSZACIVSA-N 1 3 220.360 2.376 20 0 BEADHO Cc1ccccc1CCNC[C@]1(C)CC[NH2+]C1 ZINC000415093494 386613128 /nfs/dbraw/zinc/61/31/28/386613128.db2.gz VKHDADZOIUETQW-HNNXBMFYSA-N 1 3 232.371 2.127 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414819729 386660227 /nfs/dbraw/zinc/66/02/27/386660227.db2.gz IETCONFINBWLCD-GUBZILKMSA-N 1 3 238.297 2.434 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414819732 386660936 /nfs/dbraw/zinc/66/09/36/386660936.db2.gz IETCONFINBWLCD-LPEHRKFASA-N 1 3 238.297 2.434 20 0 BEADHO C([NH2+][C@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1 ZINC000414820060 386663428 /nfs/dbraw/zinc/66/34/28/386663428.db2.gz ACQVPDXUPYJIQA-IHRRRGAJSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCCNCC2)c1 ZINC000041232047 386666522 /nfs/dbraw/zinc/66/65/22/386666522.db2.gz WQRSHSSGHFHCFB-UHFFFAOYSA-N 1 3 218.344 2.099 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCCNCC2)c1 ZINC000041232047 386666525 /nfs/dbraw/zinc/66/65/25/386666525.db2.gz WQRSHSSGHFHCFB-UHFFFAOYSA-N 1 3 218.344 2.099 20 0 BEADHO C[C@@H](CC1CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414822085 386671573 /nfs/dbraw/zinc/67/15/73/386671573.db2.gz BYNLQTWKNLTODK-KYTZWMPUSA-N 1 3 208.349 2.048 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC1(C)C)CN1CCCC1 ZINC000336648487 386685308 /nfs/dbraw/zinc/68/53/08/386685308.db2.gz GEHLQYZNHRLLBE-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414826206 386694582 /nfs/dbraw/zinc/69/45/82/386694582.db2.gz VDYFEDVHYVIHMY-RDBSUJKOSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H](CC(C)C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826206 386694586 /nfs/dbraw/zinc/69/45/86/386694586.db2.gz VDYFEDVHYVIHMY-RDBSUJKOSA-N 1 3 242.407 2.025 20 0 BEADHO CC[NH2+]CCNC1CCC(C(C)C)CC1 ZINC000414829244 386702422 /nfs/dbraw/zinc/70/24/22/386702422.db2.gz MBEPDJTYODKQGN-UHFFFAOYSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000414830243 386707421 /nfs/dbraw/zinc/70/74/21/386707421.db2.gz NRTAWVNNNDKWJP-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CCCC[C@@H](COC)[NH2+]CC1(N)CCCCC1 ZINC000414837367 386733534 /nfs/dbraw/zinc/73/35/34/386733534.db2.gz GZQKIVACESVUCP-ZDUSSCGKSA-N 1 3 242.407 2.443 20 0 BEADHO CCCC[C@@H](COC)NCC1([NH3+])CCCCC1 ZINC000414837367 386733538 /nfs/dbraw/zinc/73/35/38/386733538.db2.gz GZQKIVACESVUCP-ZDUSSCGKSA-N 1 3 242.407 2.443 20 0 BEADHO CC[NH2+]CCN[C@H]1CCCC[C@H]1C1CC1 ZINC000414831893 386715910 /nfs/dbraw/zinc/71/59/10/386715910.db2.gz PWSXVCKEZDCGHV-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414835808 386727364 /nfs/dbraw/zinc/72/73/64/386727364.db2.gz IPFZYKJKWBYZAF-FPMFFAJLSA-N 1 3 224.392 2.400 20 0 BEADHO CC[NH2+]CCN[C@H](CC)C[C@@H](C)CC ZINC000414835563 386727957 /nfs/dbraw/zinc/72/79/57/386727957.db2.gz VDOKHXVVPRGKOV-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCCN1 ZINC000414843662 386764250 /nfs/dbraw/zinc/76/42/50/386764250.db2.gz JZQFGBOYUCBCHD-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C1CC(N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000335538117 386743049 /nfs/dbraw/zinc/74/30/49/386743049.db2.gz GINYRYKMHIZAMQ-WTIISPKJSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CCC1(C)C ZINC000336666504 386778977 /nfs/dbraw/zinc/77/89/77/386778977.db2.gz DLOASOGNUXHFFU-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO c1ccc(CNCCCCC[NH+]2CCCC2)nc1 ZINC000293210750 386787355 /nfs/dbraw/zinc/78/73/55/386787355.db2.gz YGHBCLVVSKIUOW-UHFFFAOYSA-N 1 3 247.386 2.437 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCNC[C@H]1C ZINC000414933272 386788065 /nfs/dbraw/zinc/78/80/65/386788065.db2.gz DLNKPLWWVPATLC-BBBLOLIVSA-N 1 3 238.297 2.305 20 0 BEADHO CCc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)cc[nH+]1 ZINC000334790247 386853097 /nfs/dbraw/zinc/85/30/97/386853097.db2.gz MJNXZWLNSIKTCV-DOMZBBRYSA-N 1 3 245.370 2.174 20 0 BEADHO CCOC[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516171 386835833 /nfs/dbraw/zinc/83/58/33/386835833.db2.gz FMTKTDGDVANNIN-RDBSUJKOSA-N 1 3 242.407 2.312 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425339402 386840276 /nfs/dbraw/zinc/84/02/76/386840276.db2.gz CMWXOWQZOJUBOP-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CC[C@H]2SC)C1 ZINC000425339402 386840281 /nfs/dbraw/zinc/84/02/81/386840281.db2.gz CMWXOWQZOJUBOP-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@H]2CC[C@H]2SC)C1 ZINC000425339402 386840287 /nfs/dbraw/zinc/84/02/87/386840287.db2.gz CMWXOWQZOJUBOP-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000425340153 386843306 /nfs/dbraw/zinc/84/33/06/386843306.db2.gz DLYDFDFLBIASPX-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@H](C)C[NH+]1CCCC1 ZINC000425340153 386843312 /nfs/dbraw/zinc/84/33/12/386843312.db2.gz DLYDFDFLBIASPX-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000425341737 386845977 /nfs/dbraw/zinc/84/59/77/386845977.db2.gz GBNSOEVIKUBAQH-QNWHQSFQSA-N 1 3 242.432 2.343 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000425341737 386845982 /nfs/dbraw/zinc/84/59/82/386845982.db2.gz GBNSOEVIKUBAQH-QNWHQSFQSA-N 1 3 242.432 2.343 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1ccc(F)cc1F ZINC000336674532 386852683 /nfs/dbraw/zinc/85/26/83/386852683.db2.gz UUQBKHNOHMVAHH-VIFPVBQESA-N 1 3 228.286 2.182 20 0 BEADHO CCc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)cc[nH+]1 ZINC000334790258 386854145 /nfs/dbraw/zinc/85/41/45/386854145.db2.gz MJNXZWLNSIKTCV-WFASDCNBSA-N 1 3 245.370 2.174 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357842142 386854343 /nfs/dbraw/zinc/85/43/43/386854343.db2.gz ATSPRGWKKWSTLZ-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000357842142 386854353 /nfs/dbraw/zinc/85/43/53/386854353.db2.gz ATSPRGWKKWSTLZ-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000334846798 386894150 /nfs/dbraw/zinc/89/41/50/386894150.db2.gz PXQBLGJZKYSZJF-CHWSQXEVSA-N 1 3 236.334 2.494 20 0 BEADHO Cc1cncc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000293741727 386871246 /nfs/dbraw/zinc/87/12/46/386871246.db2.gz QRXGDMFVCLCEPS-CHWSQXEVSA-N 1 3 235.375 2.238 20 0 BEADHO c1ccc2c(c1)CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000051919697 386872328 /nfs/dbraw/zinc/87/23/28/386872328.db2.gz ZTXGFQSVHMHZPL-CYBMUJFWSA-N 1 3 230.355 2.392 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)Cc1ccccc1 ZINC000414943918 386901754 /nfs/dbraw/zinc/90/17/54/386901754.db2.gz OOBAHWILXJOVSE-OFQRWUPVSA-N 1 3 246.398 2.453 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]C1CCNCC1 ZINC000334867143 386923948 /nfs/dbraw/zinc/92/39/48/386923948.db2.gz UIHJAGRJHVRBGX-AWEZNQCLSA-N 1 3 246.354 2.024 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000334867465 386925412 /nfs/dbraw/zinc/92/54/12/386925412.db2.gz GAZAVGXSJNBHAV-POOIEITISA-N 1 3 210.365 2.295 20 0 BEADHO CS[C@H]1CC[C@@H]1NCCC[N@H+](C)C(C)C ZINC000425359397 386977448 /nfs/dbraw/zinc/97/74/48/386977448.db2.gz PXXPEUNPIYTMNL-RYUDHWBXSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@H]1CC[C@@H]1NCCC[N@@H+](C)C(C)C ZINC000425359397 386977451 /nfs/dbraw/zinc/97/74/51/386977451.db2.gz PXXPEUNPIYTMNL-RYUDHWBXSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@H]1CC[C@@H]1[NH2+]CCCN(C)C(C)C ZINC000425359397 386977455 /nfs/dbraw/zinc/97/74/55/386977455.db2.gz PXXPEUNPIYTMNL-RYUDHWBXSA-N 1 3 230.421 2.200 20 0 BEADHO CC[C@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000336764687 387053074 /nfs/dbraw/zinc/05/30/74/387053074.db2.gz QASJUDUEYQRTKS-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)[C@](C)([NH2+]CC[C@H]1CCCN1C)C(N)=O ZINC000331344259 387016644 /nfs/dbraw/zinc/01/66/44/387016644.db2.gz LECTZHWCMOOBFF-YPMHNXCESA-N 1 3 241.379 2.010 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126922775 387074081 /nfs/dbraw/zinc/07/40/81/387074081.db2.gz PRCNGZXCSUWUII-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1nccs1 ZINC000070733563 387091146 /nfs/dbraw/zinc/09/11/46/387091146.db2.gz VCNBGHSHFCVGHA-SNVBAGLBSA-N 1 3 239.388 2.183 20 0 BEADHO Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)ccn1 ZINC000335009718 387105503 /nfs/dbraw/zinc/10/55/03/387105503.db2.gz HKLRRMUZZMPIHI-KGLIPLIRSA-N 1 3 233.359 2.140 20 0 BEADHO CCc1ccccc1CN1CC[C@H](C[NH2+]C)C1 ZINC000112706339 387108673 /nfs/dbraw/zinc/10/86/73/387108673.db2.gz IEFHJPYMZNTKOK-CYBMUJFWSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028648 387122922 /nfs/dbraw/zinc/12/29/22/387122922.db2.gz XTVUNFJAGIUUKQ-KOLCDFICSA-N 1 3 232.318 2.281 20 0 BEADHO c1ccc(C[C@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423301537 387132352 /nfs/dbraw/zinc/13/23/52/387132352.db2.gz HKHRHVOOWUBGJH-HZPDHXFCSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000643482101 387128246 /nfs/dbraw/zinc/12/82/46/387128246.db2.gz FIKZPXIHJZBSTD-KXUCPTDWSA-N 1 3 238.297 2.163 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000423299619 387129443 /nfs/dbraw/zinc/12/94/43/387129443.db2.gz CCRWVTQJACDXOC-UHIISALHSA-N 1 3 218.344 2.419 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000423299617 387129611 /nfs/dbraw/zinc/12/96/11/387129611.db2.gz CCRWVTQJACDXOC-JTNHKYCSSA-N 1 3 218.344 2.419 20 0 BEADHO C[C@@H](Cc1ccc(Cl)cc1)NCC1C[NH2+]C1 ZINC000423306140 387141793 /nfs/dbraw/zinc/14/17/93/387141793.db2.gz SCBNWHIYMONQRZ-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1CNC1 ZINC000423306140 387141797 /nfs/dbraw/zinc/14/17/97/387141797.db2.gz SCBNWHIYMONQRZ-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO CCC[NH2+]CCNC1CCC(CSC)CC1 ZINC000423308389 387143695 /nfs/dbraw/zinc/14/36/95/387143695.db2.gz JJKDSEOOWCHDDD-UHFFFAOYSA-N 1 3 244.448 2.497 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)C1CCCCCC1 ZINC000423307409 387144435 /nfs/dbraw/zinc/14/44/35/387144435.db2.gz VZUSCLCNYAMXMH-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000423310402 387145396 /nfs/dbraw/zinc/14/53/96/387145396.db2.gz AHLVODVCNQWPGU-QMTHXVAHSA-N 1 3 234.343 2.083 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495509 387146321 /nfs/dbraw/zinc/14/63/21/387146321.db2.gz IYUXXRZSFSGAPD-FDYHWXHSSA-N 1 3 234.343 2.385 20 0 BEADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423309366 387146622 /nfs/dbraw/zinc/14/66/22/387146622.db2.gz ZGSLSMGJNNFNQA-GOEBONIOSA-N 1 3 244.382 2.207 20 0 BEADHO COc1cccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000423310401 387146716 /nfs/dbraw/zinc/14/67/16/387146716.db2.gz AHLVODVCNQWPGU-IINYFYTJSA-N 1 3 234.343 2.083 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccsc1 ZINC000423309230 387147108 /nfs/dbraw/zinc/14/71/08/387147108.db2.gz PXVYTPPUSWFWFV-MWLCHTKSSA-N 1 3 212.362 2.384 20 0 BEADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2CNC2)C1 ZINC000423313896 387150708 /nfs/dbraw/zinc/15/07/08/387150708.db2.gz GHLACLWUPNUTDW-JSGCOSHPSA-N 1 3 224.392 2.400 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423314448 387155119 /nfs/dbraw/zinc/15/51/19/387155119.db2.gz HHEYXHDDOAXAHW-IAQYHMDHSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H](NCCCC[NH3+])c1ccc(Cl)cn1 ZINC000423317677 387159776 /nfs/dbraw/zinc/15/97/76/387159776.db2.gz CWTOSXDBPDZXLG-SECBINFHSA-N 1 3 227.739 2.125 20 0 BEADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)C ZINC000423318664 387159921 /nfs/dbraw/zinc/15/99/21/387159921.db2.gz CUIGTRSULLEHIS-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)(C)c1ncc(CNCCCC[NH3+])s1 ZINC000062838973 387161009 /nfs/dbraw/zinc/16/10/09/387161009.db2.gz DRQJPEBJKCSRLL-UHFFFAOYSA-N 1 3 241.404 2.269 20 0 BEADHO N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000536949763 387161089 /nfs/dbraw/zinc/16/10/89/387161089.db2.gz YHQJRFDYJPWBLJ-CQSZACIVSA-N 1 3 218.344 2.390 20 0 BEADHO N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000536949763 387161094 /nfs/dbraw/zinc/16/10/94/387161094.db2.gz YHQJRFDYJPWBLJ-CQSZACIVSA-N 1 3 218.344 2.390 20 0 BEADHO CCO[C@H]1C[C@H](N[C@H](C)C[NH3+])C12CCCCC2 ZINC000423329552 387173967 /nfs/dbraw/zinc/17/39/67/387173967.db2.gz OSELUCJGJXTKJE-AGIUHOORSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C12CCCCC2 ZINC000423329558 387173987 /nfs/dbraw/zinc/17/39/87/387173987.db2.gz OSELUCJGJXTKJE-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO CCC[C@H]([NH2+]CC1CNC1)C1CCCC1 ZINC000423331667 387176480 /nfs/dbraw/zinc/17/64/80/387176480.db2.gz USYUAMDBUPIKRO-ZDUSSCGKSA-N 1 3 210.365 2.154 20 0 BEADHO NC1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CCC1 ZINC000423333439 387181538 /nfs/dbraw/zinc/18/15/38/387181538.db2.gz RSPMMMZRAWEKHH-CQSZACIVSA-N 1 3 245.370 2.394 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)[C@H]1CCCC[C@H]1C ZINC000423334542 387181691 /nfs/dbraw/zinc/18/16/91/387181691.db2.gz WREWZSXIFUHTGE-MDZLAQPJSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423341823 387190220 /nfs/dbraw/zinc/19/02/20/387190220.db2.gz KKDSTCYGUKZKNJ-CYBMUJFWSA-N 1 3 249.333 2.181 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1c2ccccc2C[C@H]1C ZINC000423299936 387133036 /nfs/dbraw/zinc/13/30/36/387133036.db2.gz QODDEZIJDQBZIP-JTNHKYCSSA-N 1 3 218.344 2.104 20 0 BEADHO Cc1cc([C@H](C)NC[C@@H](C)C[NH3+])cs1 ZINC000423302093 387134305 /nfs/dbraw/zinc/13/43/05/387134305.db2.gz GWQITLYDHXUHOI-WPRPVWTQSA-N 1 3 212.362 2.302 20 0 BEADHO Cc1cc([C@H](C)NC[C@H](C)C[NH3+])cs1 ZINC000423302091 387134557 /nfs/dbraw/zinc/13/45/57/387134557.db2.gz GWQITLYDHXUHOI-SCZZXKLOSA-N 1 3 212.362 2.302 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](c1cccnc1)C1CCC1 ZINC000423301792 387134920 /nfs/dbraw/zinc/13/49/20/387134920.db2.gz GNAVGJYSWGBAIO-SMDDNHRTSA-N 1 3 233.359 2.107 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](c1cccnc1)C1CCC1 ZINC000423301789 387135766 /nfs/dbraw/zinc/13/57/66/387135766.db2.gz GNAVGJYSWGBAIO-BXUZGUMPSA-N 1 3 233.359 2.107 20 0 BEADHO C[C@H](CCC1CCCC1)[NH2+]CC1CNC1 ZINC000423302745 387135779 /nfs/dbraw/zinc/13/57/79/387135779.db2.gz KFTNCDPNKVYBHE-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO COC[C@H](CC(C)C)NCCC[N@H+](C)C(C)C ZINC000359636243 387137940 /nfs/dbraw/zinc/13/79/40/387137940.db2.gz HFUGSZAAFQLKLI-AWEZNQCLSA-N 1 3 244.423 2.367 20 0 BEADHO COC[C@H](CC(C)C)NCCC[N@@H+](C)C(C)C ZINC000359636243 387137942 /nfs/dbraw/zinc/13/79/42/387137942.db2.gz HFUGSZAAFQLKLI-AWEZNQCLSA-N 1 3 244.423 2.367 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]CCCN(C)C(C)C ZINC000359636243 387137946 /nfs/dbraw/zinc/13/79/46/387137946.db2.gz HFUGSZAAFQLKLI-AWEZNQCLSA-N 1 3 244.423 2.367 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H](C)C1CCSCC1 ZINC000423367338 387217629 /nfs/dbraw/zinc/21/76/29/387217629.db2.gz AELMIUMZIQRCPZ-GHMZBOCLSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423368279 387221484 /nfs/dbraw/zinc/22/14/84/387221484.db2.gz FCPUWTXTUUUBFP-DYEKYZERSA-N 1 3 218.344 2.478 20 0 BEADHO COCC1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000423368811 387221503 /nfs/dbraw/zinc/22/15/03/387221503.db2.gz NPNOGEPQLPFAHN-GNRIBBGQSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1C[C@H]1C ZINC000423368511 387221885 /nfs/dbraw/zinc/22/18/85/387221885.db2.gz BANWUWMLPXQWMB-KVSVUVNWSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423369350 387223643 /nfs/dbraw/zinc/22/36/43/387223643.db2.gz OKRJDZUFSVUMDP-RAIGVLPGSA-N 1 3 222.332 2.070 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423372289 387227209 /nfs/dbraw/zinc/22/72/09/387227209.db2.gz IFNUUSONVZECMX-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CCN(C)CCC[NH+]1CCCC1 ZINC000120389285 387234055 /nfs/dbraw/zinc/23/40/55/387234055.db2.gz OQFHUZQDUUAZEJ-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccncc1F ZINC000423428903 387253859 /nfs/dbraw/zinc/25/38/59/387253859.db2.gz JRVXMRCEORLYCX-WDEREUQCSA-N 1 3 239.338 2.389 20 0 BEADHO Cc1cc([C@@H](C)NCC2=CC[NH2+]CC2)c(C)o1 ZINC000423347559 387198087 /nfs/dbraw/zinc/19/80/87/387198087.db2.gz QPARKOHKQPLTHY-LLVKDONJSA-N 1 3 234.343 2.467 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1C[C@H]1C ZINC000423348662 387200243 /nfs/dbraw/zinc/20/02/43/387200243.db2.gz UGXARFUCYAZQJI-MROQNXINSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(OC)cc1 ZINC000423462126 387311534 /nfs/dbraw/zinc/31/15/34/387311534.db2.gz KIMSETGGRHHCOF-GXTWGEPZSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@@H]1C[C@H](NCCC[C@H]2CCC[NH2+]2)c2nccn21 ZINC000423472795 387319184 /nfs/dbraw/zinc/31/91/84/387319184.db2.gz GEFLBDPKKUIPIO-UPJWGTAASA-N 1 3 248.374 2.011 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423430238 387254214 /nfs/dbraw/zinc/25/42/14/387254214.db2.gz KSUATGJIRZMREP-POQQGIQPSA-N 1 3 222.376 2.009 20 0 BEADHO CCCC[C@H](C)[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429479 387255248 /nfs/dbraw/zinc/25/52/48/387255248.db2.gz LOAZXTDEYORYOM-JZRPKSSGSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423470354 387316969 /nfs/dbraw/zinc/31/69/69/387316969.db2.gz PFTPWVSRNGPWAU-UONOGXRCSA-N 1 3 218.344 2.465 20 0 BEADHO CCCC[NH+]1CCC(N[C@H]2CCO[C@H]2C)CC1 ZINC000120659276 387261585 /nfs/dbraw/zinc/26/15/85/387261585.db2.gz KKTSYRFGLFLFPN-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@@H](C)N ZINC000423470905 387317390 /nfs/dbraw/zinc/31/73/90/387317390.db2.gz PKKMMMGBWACCGN-NMKXLXIOSA-N 1 3 236.359 2.088 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCC3)CCN1 ZINC000423388038 387270319 /nfs/dbraw/zinc/27/03/19/387270319.db2.gz SXGHAGWDAKVCBN-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCC2)CCN1 ZINC000423388158 387274192 /nfs/dbraw/zinc/27/41/92/387274192.db2.gz TZBXPDYGUAJKAP-LERXQTSPSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423389755 387274846 /nfs/dbraw/zinc/27/48/46/387274846.db2.gz JQMOGUDYFBUPFX-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO CC[NH2+]CCCN[C@@H](C)Cc1ccc(F)cc1 ZINC000643498856 387276726 /nfs/dbraw/zinc/27/67/26/387276726.db2.gz MEZHVPBGGDQJMH-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO CCNCCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000643498870 387277200 /nfs/dbraw/zinc/27/72/00/387277200.db2.gz QCZUQWDLMFALRM-ITGUQSILSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643498559 387277975 /nfs/dbraw/zinc/27/79/75/387277975.db2.gz APMYSAHNPIKXQV-HNNXBMFYSA-N 1 3 232.371 2.133 20 0 BEADHO C[NH2+]CCCN[C@H]1CCCc2ccccc2C1 ZINC000643498559 387277978 /nfs/dbraw/zinc/27/79/78/387277978.db2.gz APMYSAHNPIKXQV-HNNXBMFYSA-N 1 3 232.371 2.133 20 0 BEADHO CC[NH2+][C@H](C)CNC1CCC2(CC2)CC1 ZINC000423392425 387279826 /nfs/dbraw/zinc/27/98/26/387279826.db2.gz QLPUIGIOONOUQU-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@@H](C)N ZINC000423470907 387317847 /nfs/dbraw/zinc/31/78/47/387317847.db2.gz PKKMMMGBWACCGN-UHXUPSOCSA-N 1 3 236.359 2.088 20 0 BEADHO CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000423435076 387286243 /nfs/dbraw/zinc/28/62/43/387286243.db2.gz OPNVMVARBNFQEG-RFQIPJPRSA-N 1 3 222.376 2.153 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C1(CC)CC ZINC000423439759 387289599 /nfs/dbraw/zinc/28/95/99/387289599.db2.gz IBNYYBBHXIOYHV-QNWHQSFQSA-N 1 3 242.407 2.296 20 0 BEADHO CCSCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000121033880 387290789 /nfs/dbraw/zinc/29/07/89/387290789.db2.gz PLJLBKPLNICDAH-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO CCSCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000121033880 387290794 /nfs/dbraw/zinc/29/07/94/387290794.db2.gz PLJLBKPLNICDAH-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@@H](C)N ZINC000423444266 387293399 /nfs/dbraw/zinc/29/33/99/387293399.db2.gz LNLZKBSTSDCOQO-HFAKWTLXSA-N 1 3 248.370 2.398 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H](C)N ZINC000423450356 387300366 /nfs/dbraw/zinc/30/03/66/387300366.db2.gz SRQSWFRVOPYZCF-BBBLOLIVSA-N 1 3 212.362 2.443 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000423456528 387303489 /nfs/dbraw/zinc/30/34/89/387303489.db2.gz DKMGQTHAUHBFPO-TZMCWYRMSA-N 1 3 218.344 2.391 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000423456104 387304647 /nfs/dbraw/zinc/30/46/47/387304647.db2.gz DEYMDEIHPOPXHA-RNCFNFMXSA-N 1 3 222.307 2.140 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000423461480 387308532 /nfs/dbraw/zinc/30/85/32/387308532.db2.gz JROGTFGCBCJKNT-UBHSHLNASA-N 1 3 236.359 2.090 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccccn1 ZINC000423535399 387361019 /nfs/dbraw/zinc/36/10/19/387361019.db2.gz CXOSBKJEPVHMSY-LBPRGKRZSA-N 1 3 231.343 2.042 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423481617 387364138 /nfs/dbraw/zinc/36/41/38/387364138.db2.gz XAEABDCCFHBTPM-RWMBFGLXSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423538644 387364428 /nfs/dbraw/zinc/36/44/28/387364428.db2.gz NRVPCFSHMDEJAV-NSHDSACASA-N 1 3 249.333 2.181 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000423481490 387364553 /nfs/dbraw/zinc/36/45/53/387364553.db2.gz WTESXJWQWRYWOF-WCQYABFASA-N 1 3 204.317 2.001 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cncs1 ZINC000423540465 387365472 /nfs/dbraw/zinc/36/54/72/387365472.db2.gz QKHKCFKBAPNFIC-SNVBAGLBSA-N 1 3 237.372 2.104 20 0 BEADHO Cc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc(C)n1 ZINC000423548889 387370152 /nfs/dbraw/zinc/37/01/52/387370152.db2.gz NAZZABMVZSNTTQ-CABCVRRESA-N 1 3 247.386 2.306 20 0 BEADHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1C[C@H]1C ZINC000423557695 387376377 /nfs/dbraw/zinc/37/63/77/387376377.db2.gz NNWLFXHMKXNBQH-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CC12CCSCC2 ZINC000423564693 387377879 /nfs/dbraw/zinc/37/78/79/387377879.db2.gz YADHTHRCLWTXAS-QJPTWQEYSA-N 1 3 242.432 2.235 20 0 BEADHO C1CC([C@H]2CC[C@H]2N[C@H]2CCCC[NH2+]C2)C1 ZINC000423568603 387380847 /nfs/dbraw/zinc/38/08/47/387380847.db2.gz VQVXIVYWPIMVQO-BFHYXJOUSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2)CCN1 ZINC000575512104 387382725 /nfs/dbraw/zinc/38/27/25/387382725.db2.gz KRKKJSZENUJHEB-TZMCWYRMSA-N 1 3 218.344 2.259 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423476473 387325308 /nfs/dbraw/zinc/32/53/08/387325308.db2.gz SMWJAAIMPBKNGX-AAEUAGOBSA-N 1 3 222.307 2.140 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2)CCN1 ZINC000575512104 387382730 /nfs/dbraw/zinc/38/27/30/387382730.db2.gz KRKKJSZENUJHEB-TZMCWYRMSA-N 1 3 218.344 2.259 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423484234 387329120 /nfs/dbraw/zinc/32/91/20/387329120.db2.gz YLHJWMMWXIFKJY-KGLIPLIRSA-N 1 3 233.359 2.250 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000423485381 387330979 /nfs/dbraw/zinc/33/09/79/387330979.db2.gz ZFSKMZAUOOXVQL-WFASDCNBSA-N 1 3 248.370 2.400 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423485377 387331064 /nfs/dbraw/zinc/33/10/64/387331064.db2.gz ZFSKMZAUOOXVQL-IUODEOHRSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000372989619 387339257 /nfs/dbraw/zinc/33/92/57/387339257.db2.gz LFFZDXHCXHFOFA-ZDUSSCGKSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000372989619 387339261 /nfs/dbraw/zinc/33/92/61/387339261.db2.gz LFFZDXHCXHFOFA-ZDUSSCGKSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)=CCC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000423506462 387344755 /nfs/dbraw/zinc/34/47/55/387344755.db2.gz GXSKKGYTBKSPPE-ZIAGYGMSSA-N 1 3 240.391 2.089 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000643466830 387389730 /nfs/dbraw/zinc/38/97/30/387389730.db2.gz PTCAOPJZMLWNHQ-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](NC[C@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400678495 387411275 /nfs/dbraw/zinc/41/12/75/387411275.db2.gz WGIWZWNGRBSHMD-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@@H]1CCCN1 ZINC000400678495 387411279 /nfs/dbraw/zinc/41/12/79/387411279.db2.gz WGIWZWNGRBSHMD-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000643475297 387509412 /nfs/dbraw/zinc/50/94/12/387509412.db2.gz CDZLOZZTSGAYSM-FQUUOJAGSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000397026976 387533478 /nfs/dbraw/zinc/53/34/78/387533478.db2.gz OEZDZZFVFZPWOG-HIFRSBDPSA-N 1 3 247.386 2.306 20 0 BEADHO C[C@@H](CCC(F)(F)F)NCC[NH2+]C1CC1 ZINC000643507587 387477260 /nfs/dbraw/zinc/47/72/60/387477260.db2.gz JJWOGIZBQQUOTM-QMMMGPOBSA-N 1 3 224.270 2.059 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCCN[C@@H]2C)cc1 ZINC000396701549 387486260 /nfs/dbraw/zinc/48/62/60/387486260.db2.gz NFJZOLFJNSGMNI-DOMZBBRYSA-N 1 3 232.371 2.479 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)CN1CCCC1 ZINC000304500477 387489993 /nfs/dbraw/zinc/48/99/93/387489993.db2.gz NFHKQLWMICYMIO-FRRDWIJNSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCSC[C@H](C)C1 ZINC000379553238 387585669 /nfs/dbraw/zinc/58/56/69/387585669.db2.gz VUEYIAAWISJDKH-VXGBXAGGSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCSC[C@H](C)C1 ZINC000379553238 387585672 /nfs/dbraw/zinc/58/56/72/387585672.db2.gz VUEYIAAWISJDKH-VXGBXAGGSA-N 1 3 230.421 2.045 20 0 BEADHO CCN1CC[C@H]([N@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511461 387590267 /nfs/dbraw/zinc/59/02/67/387590267.db2.gz RUJOHUIZRCQTFU-RYUDHWBXSA-N 1 3 228.355 2.151 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)CC2(F)CC2)[C@@H](C)C1 ZINC000527511461 387590269 /nfs/dbraw/zinc/59/02/69/387590269.db2.gz RUJOHUIZRCQTFU-RYUDHWBXSA-N 1 3 228.355 2.151 20 0 BEADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@H](C)CN ZINC000643514659 387599060 /nfs/dbraw/zinc/59/90/60/387599060.db2.gz LILBHLYEJGHKGM-MNOVXSKESA-N 1 3 226.389 2.254 20 0 BEADHO C[C@@H](C[NH3+])CNCc1cccc(C2CC2)c1 ZINC000422551246 387599623 /nfs/dbraw/zinc/59/96/23/387599623.db2.gz DHWCZQQMDMTCKU-NSHDSACASA-N 1 3 218.344 2.248 20 0 BEADHO C[C@@H]1C[C@@H](C)N(Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000422641334 387609951 /nfs/dbraw/zinc/60/99/51/387609951.db2.gz XQUJCNFXBUZMJN-YRGRVCCFSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000422641334 387609954 /nfs/dbraw/zinc/60/99/54/387609954.db2.gz XQUJCNFXBUZMJN-YRGRVCCFSA-N 1 3 247.386 2.074 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000422641334 387609956 /nfs/dbraw/zinc/60/99/56/387609956.db2.gz XQUJCNFXBUZMJN-YRGRVCCFSA-N 1 3 247.386 2.074 20 0 BEADHO CC(C)OCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422639444 387609965 /nfs/dbraw/zinc/60/99/65/387609965.db2.gz STWJQDBILPSPEE-RDBSUJKOSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422639444 387609968 /nfs/dbraw/zinc/60/99/68/387609968.db2.gz STWJQDBILPSPEE-RDBSUJKOSA-N 1 3 242.407 2.107 20 0 BEADHO CC(C)OCCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422639444 387609972 /nfs/dbraw/zinc/60/99/72/387609972.db2.gz STWJQDBILPSPEE-RDBSUJKOSA-N 1 3 242.407 2.107 20 0 BEADHO CSC1(C[NH+]2CCC(N(C)C)CC2)CCC1 ZINC000356086233 387614128 /nfs/dbraw/zinc/61/41/28/387614128.db2.gz AFEGPKYMXKUUOU-UHFFFAOYSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1(CN2CCC([NH+](C)C)CC2)CCC1 ZINC000356086233 387614132 /nfs/dbraw/zinc/61/41/32/387614132.db2.gz AFEGPKYMXKUUOU-UHFFFAOYSA-N 1 3 242.432 2.298 20 0 BEADHO CN(CCC1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000567271799 387629436 /nfs/dbraw/zinc/62/94/36/387629436.db2.gz VMULNZRNMHHGAR-UHFFFAOYSA-N 1 3 248.370 2.214 20 0 BEADHO CC[C@H](Cc1cccs1)NC[C@@H]([NH3+])C1CC1 ZINC000643516416 387622570 /nfs/dbraw/zinc/62/25/70/387622570.db2.gz RNBGFFNRNHXVOY-DGCLKSJQSA-N 1 3 238.400 2.396 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422711561 387626728 /nfs/dbraw/zinc/62/67/28/387626728.db2.gz MWBJSEPZFLYZKN-YIBTVLSRSA-N 1 3 210.365 2.294 20 0 BEADHO c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000035054301 387553734 /nfs/dbraw/zinc/55/37/34/387553734.db2.gz JLLPCCDHJLGHDF-UHFFFAOYSA-N 1 3 230.355 2.403 20 0 BEADHO CC(C)CCOCCN[C@](C)(C[NH3+])C(C)C ZINC000430592765 387631600 /nfs/dbraw/zinc/63/16/00/387631600.db2.gz CWLKZEQRJIKLIU-CYBMUJFWSA-N 1 3 230.396 2.012 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000422719358 387633384 /nfs/dbraw/zinc/63/33/84/387633384.db2.gz QWCMMFGDBNGKSZ-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000422719359 387633561 /nfs/dbraw/zinc/63/35/61/387633561.db2.gz QWCMMFGDBNGKSZ-JHJVBQTASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422726826 387635110 /nfs/dbraw/zinc/63/51/10/387635110.db2.gz GAMKZSUXASMUTL-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)[C@H]1CCCN1 ZINC000422726826 387635112 /nfs/dbraw/zinc/63/51/12/387635112.db2.gz GAMKZSUXASMUTL-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO CCN1CCC[C@H](C[NH2+]Cc2ccnc(C)c2)C1 ZINC000527647772 387639935 /nfs/dbraw/zinc/63/99/35/387639935.db2.gz RWRGQXCTILMGBZ-OAHLLOKOSA-N 1 3 247.386 2.212 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1ccccc1 ZINC000422732241 387640004 /nfs/dbraw/zinc/64/00/04/387640004.db2.gz NOYPWQICDQRDED-ZIAGYGMSSA-N 1 3 218.344 2.089 20 0 BEADHO CC[C@H](NCC1CCSCC1)[C@@H]1CCC[NH2+]1 ZINC000422735753 387642943 /nfs/dbraw/zinc/64/29/43/387642943.db2.gz VCVVOVZHUHYANH-STQMWFEESA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@H]([NH2+]CC1CCSCC1)[C@@H]1CCCN1 ZINC000422735753 387642948 /nfs/dbraw/zinc/64/29/48/387642948.db2.gz VCVVOVZHUHYANH-STQMWFEESA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422741250 387648369 /nfs/dbraw/zinc/64/83/69/387648369.db2.gz DBHYFYBYHBNFAW-FRRDWIJNSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccccc1OCCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422740801 387649060 /nfs/dbraw/zinc/64/90/60/387649060.db2.gz NFLFJMHOJBTKEL-UONOGXRCSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cccs1 ZINC000422750700 387655198 /nfs/dbraw/zinc/65/51/98/387655198.db2.gz DMRDXTVOBNRWOK-WCQYABFASA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cccs1 ZINC000422750700 387655201 /nfs/dbraw/zinc/65/52/01/387655201.db2.gz DMRDXTVOBNRWOK-WCQYABFASA-N 1 3 238.400 2.268 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000422749866 387655998 /nfs/dbraw/zinc/65/59/98/387655998.db2.gz BFSQIZBMBUCPOP-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422749866 387656000 /nfs/dbraw/zinc/65/60/00/387656000.db2.gz BFSQIZBMBUCPOP-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCNc1ccccc1 ZINC000422752110 387656736 /nfs/dbraw/zinc/65/67/36/387656736.db2.gz GWTZJGKOIUCWEV-QWHCGFSZSA-N 1 3 235.375 2.204 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCNc1ccccc1 ZINC000422752110 387656738 /nfs/dbraw/zinc/65/67/38/387656738.db2.gz GWTZJGKOIUCWEV-QWHCGFSZSA-N 1 3 235.375 2.204 20 0 BEADHO FCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000377153637 387695464 /nfs/dbraw/zinc/69/54/64/387695464.db2.gz JZISHNCEROWBPW-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO FCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000377153637 387695471 /nfs/dbraw/zinc/69/54/71/387695471.db2.gz JZISHNCEROWBPW-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO FCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000377153637 387695476 /nfs/dbraw/zinc/69/54/76/387695476.db2.gz JZISHNCEROWBPW-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1C ZINC000422753124 387659250 /nfs/dbraw/zinc/65/92/50/387659250.db2.gz DQGKNGBSBMZICD-NWDGAFQWSA-N 1 3 236.359 2.219 20 0 BEADHO CCOC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125627608 387659970 /nfs/dbraw/zinc/65/99/70/387659970.db2.gz ACSRTCXIIKNBKM-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000125627608 387659976 /nfs/dbraw/zinc/65/99/76/387659976.db2.gz ACSRTCXIIKNBKM-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ccc(OCCN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422757442 387660125 /nfs/dbraw/zinc/66/01/25/387660125.db2.gz MUBCAQRKROLPJD-ZFWWWQNUSA-N 1 3 248.370 2.091 20 0 BEADHO CCOC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125627768 387660376 /nfs/dbraw/zinc/66/03/76/387660376.db2.gz ACSRTCXIIKNBKM-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000125627768 387660380 /nfs/dbraw/zinc/66/03/80/387660380.db2.gz ACSRTCXIIKNBKM-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CSCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422758137 387660725 /nfs/dbraw/zinc/66/07/25/387660725.db2.gz NNQYTFCWTWQVHJ-NEPJUHHUSA-N 1 3 230.421 2.107 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000422756389 387660782 /nfs/dbraw/zinc/66/07/82/387660782.db2.gz CICKDKIUDCTSDV-OLZOCXBDSA-N 1 3 236.384 2.248 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc(Cl)c1 ZINC000422758390 387661920 /nfs/dbraw/zinc/66/19/20/387661920.db2.gz IYIXGXRXXGDAKT-CHWSQXEVSA-N 1 3 238.762 2.352 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccs1 ZINC000422759457 387664014 /nfs/dbraw/zinc/66/40/14/387664014.db2.gz PCBKIXVGQJIRGA-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccs1 ZINC000422759457 387664019 /nfs/dbraw/zinc/66/40/19/387664019.db2.gz PCBKIXVGQJIRGA-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccs1 ZINC000422759456 387664265 /nfs/dbraw/zinc/66/42/65/387664265.db2.gz PCBKIXVGQJIRGA-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccs1 ZINC000422759456 387664270 /nfs/dbraw/zinc/66/42/70/387664270.db2.gz PCBKIXVGQJIRGA-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422772795 387669813 /nfs/dbraw/zinc/66/98/13/387669813.db2.gz ZOGVWVMIDFPBAH-GRYCIOLGSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422772765 387670186 /nfs/dbraw/zinc/67/01/86/387670186.db2.gz SVINCNQCXLYDNY-UPJWGTAASA-N 1 3 212.381 2.256 20 0 BEADHO CC[C@H](NC[C@@H](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422774631 387672327 /nfs/dbraw/zinc/67/23/27/387672327.db2.gz XURLALZVJHHOEE-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)C(C)C)[C@@H]1CCCN1 ZINC000422774631 387672331 /nfs/dbraw/zinc/67/23/31/387672331.db2.gz XURLALZVJHHOEE-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO COc1ccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422777275 387674030 /nfs/dbraw/zinc/67/40/30/387674030.db2.gz FGIVLPMDBJETIX-WOPDTQHZSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc(F)c1 ZINC000422777928 387674518 /nfs/dbraw/zinc/67/45/18/387674518.db2.gz CYCJGSFJIZWGLO-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000422777928 387674525 /nfs/dbraw/zinc/67/45/25/387674525.db2.gz CYCJGSFJIZWGLO-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2cccnc21 ZINC000422781217 387681467 /nfs/dbraw/zinc/68/14/67/387681467.db2.gz LDUSBSMSUQJFKN-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO Cc1cc(C)cc(CCN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422783817 387684765 /nfs/dbraw/zinc/68/47/65/387684765.db2.gz NGVXXFMBIKPJHT-LSDHHAIUSA-N 1 3 232.371 2.315 20 0 BEADHO CCc1ccccc1C[NH2+][C@H]1CCC[C@H]1N ZINC000422786382 387687830 /nfs/dbraw/zinc/68/78/30/387687830.db2.gz QIISXFFQIMKBPG-KGLIPLIRSA-N 1 3 218.344 2.218 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422744192 387691337 /nfs/dbraw/zinc/69/13/37/387691337.db2.gz SOGZBOHENDYSGU-LERXQTSPSA-N 1 3 236.334 2.399 20 0 BEADHO CC(C)COCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422795072 387696690 /nfs/dbraw/zinc/69/66/90/387696690.db2.gz ZPFIJJYQQFAXNM-UONOGXRCSA-N 1 3 242.407 2.027 20 0 BEADHO CCc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422790583 387693909 /nfs/dbraw/zinc/69/39/09/387693909.db2.gz VBGKFUMGDQOELI-VXGBXAGGSA-N 1 3 220.360 2.464 20 0 BEADHO Cc1ccc(OCCCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422860461 387744084 /nfs/dbraw/zinc/74/40/84/387744084.db2.gz MKBRHGMIVQSKFR-HUUCEWRRSA-N 1 3 248.370 2.233 20 0 BEADHO CCC[C@@H]([NH2+]C[C@@H](C)N)c1ccccc1 ZINC000643525945 387756366 /nfs/dbraw/zinc/75/63/66/387756366.db2.gz JOOJPSAUSCEKTA-DGCLKSJQSA-N 1 3 206.333 2.465 20 0 BEADHO Cc1cc(F)ccc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422867938 387750729 /nfs/dbraw/zinc/75/07/29/387750729.db2.gz TWSMJRNFZJBVBF-RYUDHWBXSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1cc(F)ccc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000422867938 387750734 /nfs/dbraw/zinc/75/07/34/387750734.db2.gz TWSMJRNFZJBVBF-RYUDHWBXSA-N 1 3 238.350 2.392 20 0 BEADHO CCO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000452009558 387698868 /nfs/dbraw/zinc/69/88/68/387698868.db2.gz CTAPWQOYGVJXHH-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CCO[C@@H]1CCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000452009558 387698871 /nfs/dbraw/zinc/69/88/71/387698871.db2.gz CTAPWQOYGVJXHH-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CCO[C@@H]1CCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000452009558 387698877 /nfs/dbraw/zinc/69/88/77/387698877.db2.gz CTAPWQOYGVJXHH-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCc2ccccc21)C1CNC1 ZINC000422802588 387701609 /nfs/dbraw/zinc/70/16/09/387701609.db2.gz HNVVPNJICZFQMU-GXTWGEPZSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](NC[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422802588 387701614 /nfs/dbraw/zinc/70/16/14/387701614.db2.gz HNVVPNJICZFQMU-GXTWGEPZSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)C1CNC1 ZINC000422802589 387702333 /nfs/dbraw/zinc/70/23/33/387702333.db2.gz HNVVPNJICZFQMU-JSGCOSHPSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](NC[C@@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422802589 387702336 /nfs/dbraw/zinc/70/23/36/387702336.db2.gz HNVVPNJICZFQMU-JSGCOSHPSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](Cc1cccs1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422809411 387707786 /nfs/dbraw/zinc/70/77/86/387707786.db2.gz PQLCXJTXHUUGCC-GARJFASQSA-N 1 3 226.389 2.395 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422809411 387707793 /nfs/dbraw/zinc/70/77/93/387707793.db2.gz PQLCXJTXHUUGCC-GARJFASQSA-N 1 3 226.389 2.395 20 0 BEADHO CC(C)CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422812914 387711054 /nfs/dbraw/zinc/71/10/54/387711054.db2.gz YIOYZIYDPVJBBU-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000422812165 387712292 /nfs/dbraw/zinc/71/22/92/387712292.db2.gz QBMLRZBXOLTTSF-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCNCC1)C1CCSCC1 ZINC000643522571 387718625 /nfs/dbraw/zinc/71/86/25/387718625.db2.gz PNMJAISLZFFNCE-WCQYABFASA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1cccnc1 ZINC000422829115 387723604 /nfs/dbraw/zinc/72/36/04/387723604.db2.gz GYZLOLOSAIQBQD-WFASDCNBSA-N 1 3 247.386 2.019 20 0 BEADHO CC(C)[C@H](C[NH2+][C@@H](C)C1CNC1)c1cccnc1 ZINC000422829115 387723610 /nfs/dbraw/zinc/72/36/10/387723610.db2.gz GYZLOLOSAIQBQD-WFASDCNBSA-N 1 3 247.386 2.019 20 0 BEADHO COCc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422879376 387755640 /nfs/dbraw/zinc/75/56/40/387755640.db2.gz KHUITWSUTCHGBV-NEPJUHHUSA-N 1 3 236.359 2.048 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356877081 387739221 /nfs/dbraw/zinc/73/92/21/387739221.db2.gz RVNCSHIRFXTCBH-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccsc1 ZINC000643527935 387765210 /nfs/dbraw/zinc/76/52/10/387765210.db2.gz VULBDYDQUYAISJ-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422897168 387766580 /nfs/dbraw/zinc/76/65/80/387766580.db2.gz JGPDYIMRUPTMPB-UONOGXRCSA-N 1 3 248.345 2.327 20 0 BEADHO CSc1ccccc1C[C@H](C)NC[C@@H](C)[NH3+] ZINC000643527623 387767034 /nfs/dbraw/zinc/76/70/34/387767034.db2.gz PIDXUNXXONOWOX-MNOVXSKESA-N 1 3 238.400 2.276 20 0 BEADHO C[N@@H+]1CC[C@@]2(CCN(CC3=CCCC3)C2)C1 ZINC000645922183 387767219 /nfs/dbraw/zinc/76/72/19/387767219.db2.gz HKIGDKAWUUUWOG-CQSZACIVSA-N 1 3 220.360 2.124 20 0 BEADHO C[N@H+]1CC[C@@]2(CCN(CC3=CCCC3)C2)C1 ZINC000645922183 387767223 /nfs/dbraw/zinc/76/72/23/387767223.db2.gz HKIGDKAWUUUWOG-CQSZACIVSA-N 1 3 220.360 2.124 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000422904442 387767681 /nfs/dbraw/zinc/76/76/81/387767681.db2.gz PYLOCCUTFQRFSC-RFGFWPKPSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC12CC2 ZINC000527877280 387767718 /nfs/dbraw/zinc/76/77/18/387767718.db2.gz UAZNILIGSXCKSY-DGCLKSJQSA-N 1 3 220.360 2.027 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCc2ccccc21 ZINC000422909039 387768497 /nfs/dbraw/zinc/76/84/97/387768497.db2.gz NKBGUJAIULGZMX-CFVMTHIKSA-N 1 3 230.355 2.186 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000643528666 387769671 /nfs/dbraw/zinc/76/96/71/387769671.db2.gz MSIOADGWSNCKHX-PRHODGIISA-N 1 3 224.735 2.264 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCc2ccccc21 ZINC000422911245 387770028 /nfs/dbraw/zinc/77/00/28/387770028.db2.gz SJDKPRFDJWGWKZ-XPKDYRNWSA-N 1 3 244.382 2.304 20 0 BEADHO CC[C@H](Cc1ccc(C)cc1)NC[C@H](C)[NH3+] ZINC000643528559 387770399 /nfs/dbraw/zinc/77/03/99/387770399.db2.gz LLLGZSHSIXNOJW-GXTWGEPZSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000643528154 387773688 /nfs/dbraw/zinc/77/36/88/387773688.db2.gz DQOILNJGEQNNLQ-LEWSCRJBSA-N 1 3 236.334 2.399 20 0 BEADHO C[C@@H](N)C[NH2+][C@H]1CCCc2sccc21 ZINC000643529098 387774056 /nfs/dbraw/zinc/77/40/56/387774056.db2.gz VETNZUKNYQFSSN-SCZZXKLOSA-N 1 3 210.346 2.062 20 0 BEADHO C[C@@H](N)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000643528121 387774888 /nfs/dbraw/zinc/77/48/88/387774888.db2.gz ZURQWIBPBRONHM-RNCFNFMXSA-N 1 3 222.307 2.140 20 0 BEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(C)C1 ZINC000422922236 387777483 /nfs/dbraw/zinc/77/74/83/387777483.db2.gz SGSSBYONSPPCBD-UWNPBFMXSA-N 1 3 232.371 2.333 20 0 BEADHO CCC[C@H](Cc1ccccc1)NC[C@H](C)[NH3+] ZINC000643529319 387777585 /nfs/dbraw/zinc/77/75/85/387777585.db2.gz YNLWHDNZFRAJMI-GXTWGEPZSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@H]([NH2+]CCC1=CCCCC1)C1CNC1 ZINC000422961627 387812448 /nfs/dbraw/zinc/81/24/48/387812448.db2.gz COJSLXUPBHGAKP-NSHDSACASA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422937756 387782920 /nfs/dbraw/zinc/78/29/20/387782920.db2.gz OPWOBFKZMOXHQJ-AAEUAGOBSA-N 1 3 222.376 2.154 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422983810 387793997 /nfs/dbraw/zinc/79/39/97/387793997.db2.gz VDCNUTOGDNGUQD-GJZGRUSLSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCC(F)(F)C1 ZINC000422985917 387795974 /nfs/dbraw/zinc/79/59/74/387795974.db2.gz BAJLYLBUKMCFSZ-AEJSXWLSSA-N 1 3 220.307 2.280 20 0 BEADHO CCOc1cccc(CCN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422991761 387799557 /nfs/dbraw/zinc/79/95/57/387799557.db2.gz BOFBPJDKMPRAEN-HUUCEWRRSA-N 1 3 248.370 2.097 20 0 BEADHO CCOc1cccc(CCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422991759 387799813 /nfs/dbraw/zinc/79/98/13/387799813.db2.gz BOFBPJDKMPRAEN-CABCVRRESA-N 1 3 248.370 2.097 20 0 BEADHO C[C@@H](N[C@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422990514 387800728 /nfs/dbraw/zinc/80/07/28/387800728.db2.gz NQUMITAELWXBJG-AGIUHOORSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@@H](N[C@@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422990517 387801062 /nfs/dbraw/zinc/80/10/62/387801062.db2.gz NQUMITAELWXBJG-UPJWGTAASA-N 1 3 208.349 2.215 20 0 BEADHO CCC(CC)[C@@H](CC[NH2+][C@@H](C)C1CNC1)OC ZINC000422995567 387801674 /nfs/dbraw/zinc/80/16/74/387801674.db2.gz KJJJPETUQVBIJO-SMDDNHRTSA-N 1 3 242.407 2.025 20 0 BEADHO CCC(CC)[C@@H](CCN[C@@H](C)C1C[NH2+]C1)OC ZINC000422995567 387801678 /nfs/dbraw/zinc/80/16/78/387801678.db2.gz KJJJPETUQVBIJO-SMDDNHRTSA-N 1 3 242.407 2.025 20 0 BEADHO Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422948670 387807774 /nfs/dbraw/zinc/80/77/74/387807774.db2.gz RVFCMYDZOWRZOH-UONOGXRCSA-N 1 3 248.370 2.152 20 0 BEADHO C[C@H](CCc1ccc(F)cc1F)NC[C@H](C)[NH3+] ZINC000643526575 387757703 /nfs/dbraw/zinc/75/77/03/387757703.db2.gz BFWXGWINYBMURD-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)N)c1cccc(F)c1 ZINC000643526590 387758171 /nfs/dbraw/zinc/75/81/71/387758171.db2.gz BSYZADJGBYUECZ-CABZTGNLSA-N 1 3 210.296 2.214 20 0 BEADHO CCOc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422882721 387758294 /nfs/dbraw/zinc/75/82/94/387758294.db2.gz SUUZKDWFRSFKIK-NEPJUHHUSA-N 1 3 236.359 2.301 20 0 BEADHO C[C@@H](N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000643527042 387760060 /nfs/dbraw/zinc/76/00/60/387760060.db2.gz CFBIPNJURWATFP-ZWNOBZJWSA-N 1 3 204.317 2.075 20 0 BEADHO Cc1occc1CNCCC1CC[NH+](C)CC1 ZINC000320973959 387821365 /nfs/dbraw/zinc/82/13/65/387821365.db2.gz GOXZSHLQBVXPBR-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432796993 387821674 /nfs/dbraw/zinc/82/16/74/387821674.db2.gz JMJIMIQSQHVICG-FRRDWIJNSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432796993 387821678 /nfs/dbraw/zinc/82/16/78/387821678.db2.gz JMJIMIQSQHVICG-FRRDWIJNSA-N 1 3 210.365 2.059 20 0 BEADHO CCCC(O)(CCC)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422974981 387824140 /nfs/dbraw/zinc/82/41/40/387824140.db2.gz FVTBDCJFIAHTPN-OLZOCXBDSA-N 1 3 242.407 2.035 20 0 BEADHO CC(C)CSCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423012190 387835665 /nfs/dbraw/zinc/83/56/65/387835665.db2.gz KGAXVWBRZURPLX-QWHCGFSZSA-N 1 3 244.448 2.483 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)C1CNC1 ZINC000423074914 387873809 /nfs/dbraw/zinc/87/38/09/387873809.db2.gz NDUVVVJKIMZCRQ-IUCAKERBSA-N 1 3 238.297 2.305 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423031530 387845335 /nfs/dbraw/zinc/84/53/35/387845335.db2.gz LGBGSPBQFUXURI-KBPBESRZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000423029072 387845463 /nfs/dbraw/zinc/84/54/63/387845463.db2.gz HPCLHZDZBVWAPZ-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423029447 387845876 /nfs/dbraw/zinc/84/58/76/387845876.db2.gz AHTMFABTBLGJMZ-MJBXVCDLSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000423029446 387847162 /nfs/dbraw/zinc/84/71/62/387847162.db2.gz AHTMFABTBLGJMZ-MELADBBJSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC1(C)C ZINC000423028415 387847222 /nfs/dbraw/zinc/84/72/22/387847222.db2.gz QNULUENBKBLQMY-IACUBPJLSA-N 1 3 232.371 2.333 20 0 BEADHO Cc1ccc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000643533743 387849225 /nfs/dbraw/zinc/84/92/25/387849225.db2.gz CPKZAQMNLLKCKO-DGCLKSJQSA-N 1 3 234.343 2.381 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)CN1CCCC1 ZINC000062078306 387849733 /nfs/dbraw/zinc/84/97/33/387849733.db2.gz QKXHHRZJTHTSHS-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCS1 ZINC000423037464 387851578 /nfs/dbraw/zinc/85/15/78/387851578.db2.gz VZNVQULMNNASET-ZGVCCVRISA-N 1 3 240.416 2.145 20 0 BEADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643534514 387852402 /nfs/dbraw/zinc/85/24/02/387852402.db2.gz WQUYDBJIIYEGJB-PWSUYJOCSA-N 1 3 220.316 2.072 20 0 BEADHO CC[C@H](CC(F)(F)F)N[C@H](C)C[C@H](C)[NH3+] ZINC000423041246 387856157 /nfs/dbraw/zinc/85/61/57/387856157.db2.gz WQYKMTHLFRJYJD-DJLDLDEBSA-N 1 3 226.286 2.433 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423049923 387857980 /nfs/dbraw/zinc/85/79/80/387857980.db2.gz KIIRTQPLWKBNDS-CHWSQXEVSA-N 1 3 244.448 2.497 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423049925 387859358 /nfs/dbraw/zinc/85/93/58/387859358.db2.gz KIIRTQPLWKBNDS-QWHCGFSZSA-N 1 3 244.448 2.497 20 0 BEADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cncc(F)c1 ZINC000643534757 387860318 /nfs/dbraw/zinc/86/03/18/387860318.db2.gz CHOPXEQYJQEBHT-MFKMUULPSA-N 1 3 249.333 2.013 20 0 BEADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cncc(F)c1 ZINC000643534758 387860499 /nfs/dbraw/zinc/86/04/99/387860499.db2.gz CHOPXEQYJQEBHT-ZWNOBZJWSA-N 1 3 249.333 2.013 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NC1(Cc2ccccc2)CC1 ZINC000423054743 387863452 /nfs/dbraw/zinc/86/34/52/387863452.db2.gz UYADGWXOSJXTNY-CHWSQXEVSA-N 1 3 232.371 2.477 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000423054743 387863456 /nfs/dbraw/zinc/86/34/56/387863456.db2.gz UYADGWXOSJXTNY-CHWSQXEVSA-N 1 3 232.371 2.477 20 0 BEADHO C[C@@H](N[C@@H]1CC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423061216 387865168 /nfs/dbraw/zinc/86/51/68/387865168.db2.gz KFOXVTHZSOXRRX-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000423066763 387870753 /nfs/dbraw/zinc/87/07/53/387870753.db2.gz XTVSSYVIXWTZNR-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000423071551 387871524 /nfs/dbraw/zinc/87/15/24/387871524.db2.gz FLEFDCVUTWZMNE-ZGVCCVRISA-N 1 3 220.360 2.192 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422966938 387816663 /nfs/dbraw/zinc/81/66/63/387816663.db2.gz AXDVNSXROLPEIZ-KBPBESRZSA-N 1 3 248.370 2.042 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccccc1O ZINC000422966938 387816667 /nfs/dbraw/zinc/81/66/67/387816667.db2.gz AXDVNSXROLPEIZ-KBPBESRZSA-N 1 3 248.370 2.042 20 0 BEADHO CC(C)SCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423105356 387890483 /nfs/dbraw/zinc/89/04/83/387890483.db2.gz IFPNUQOBKBFBLC-NEPJUHHUSA-N 1 3 230.421 2.378 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@@H]1CCCNC1 ZINC000423110188 387892622 /nfs/dbraw/zinc/89/26/22/387892622.db2.gz OTBOSISQXQQYRC-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NC[C@@H]1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423110911 387893186 /nfs/dbraw/zinc/89/31/86/387893186.db2.gz WGIWZWNGRBSHMD-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1C)[C@@H]1CCCN1 ZINC000423110911 387893192 /nfs/dbraw/zinc/89/31/92/387893192.db2.gz WGIWZWNGRBSHMD-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423116076 387897721 /nfs/dbraw/zinc/89/77/21/387897721.db2.gz ZKTSEQGCBFSHDM-IIRVCBMXSA-N 1 3 244.329 2.150 20 0 BEADHO Cc1cscc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423091758 387882421 /nfs/dbraw/zinc/88/24/21/387882421.db2.gz YQNPCOLTORLKIB-ZJUUUORDSA-N 1 3 212.362 2.272 20 0 BEADHO Cc1cscc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423091756 387883421 /nfs/dbraw/zinc/88/34/21/387883421.db2.gz YQNPCOLTORLKIB-UWVGGRQHSA-N 1 3 212.362 2.272 20 0 BEADHO CC(C)SCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423101160 387887295 /nfs/dbraw/zinc/88/72/95/387887295.db2.gz CNXDVMJXDKUEHC-VXGBXAGGSA-N 1 3 230.421 2.106 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423101160 387887297 /nfs/dbraw/zinc/88/72/97/387887297.db2.gz CNXDVMJXDKUEHC-VXGBXAGGSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000423101936 387889363 /nfs/dbraw/zinc/88/93/63/387889363.db2.gz WOJZJTZIKKLENX-ZOBORPQBSA-N 1 3 224.392 2.400 20 0 BEADHO C=Cc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000423141597 387917801 /nfs/dbraw/zinc/91/78/01/387917801.db2.gz QTQYYESBYZFDEA-LBPRGKRZSA-N 1 3 230.355 2.070 20 0 BEADHO C=Cc1ccc(CC[NH2+][C@@H](C)C2CNC2)cc1 ZINC000423141597 387917806 /nfs/dbraw/zinc/91/78/06/387917806.db2.gz QTQYYESBYZFDEA-LBPRGKRZSA-N 1 3 230.355 2.070 20 0 BEADHO C[C@@H](NC[C@@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000423119052 387900292 /nfs/dbraw/zinc/90/02/92/387900292.db2.gz CXYXMIGLJNMLMB-FRRDWIJNSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000423118050 387901161 /nfs/dbraw/zinc/90/11/61/387901161.db2.gz YOTKNDDJHFAZQH-CYDGBPFRSA-N 1 3 242.407 2.296 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423122563 387902335 /nfs/dbraw/zinc/90/23/35/387902335.db2.gz JZTCLLIKSXBSCB-NEPJUHHUSA-N 1 3 230.396 2.155 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423125150 387903105 /nfs/dbraw/zinc/90/31/05/387903105.db2.gz NBIMOAVRAJJYFT-NEPJUHHUSA-N 1 3 228.355 2.376 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@H](C)C[C@H](C)N ZINC000423122564 387903359 /nfs/dbraw/zinc/90/33/59/387903359.db2.gz JZTCLLIKSXBSCB-NWDGAFQWSA-N 1 3 230.396 2.155 20 0 BEADHO C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CNC1 ZINC000423133325 387911537 /nfs/dbraw/zinc/91/15/37/387911537.db2.gz QDKNXXMCPNFOFX-BLLLJJGKSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](NC[C@H](c1ccccc1)C1CC1)C1C[NH2+]C1 ZINC000423133325 387911541 /nfs/dbraw/zinc/91/15/41/387911541.db2.gz QDKNXXMCPNFOFX-BLLLJJGKSA-N 1 3 244.382 2.378 20 0 BEADHO C=Cc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423134692 387912751 /nfs/dbraw/zinc/91/27/51/387912751.db2.gz DXSFYMRHJIWMLC-HUUCEWRRSA-N 1 3 230.355 2.342 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CNC1 ZINC000423135907 387913594 /nfs/dbraw/zinc/91/35/94/387913594.db2.gz OOWYJNXGPSXSFC-JQWIXIFHSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](N[C@@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000423139126 387915766 /nfs/dbraw/zinc/91/57/66/387915766.db2.gz YVEBUJKQOROWDE-UUFIZFKYSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1CCCN1 ZINC000423139126 387915769 /nfs/dbraw/zinc/91/57/69/387915769.db2.gz YVEBUJKQOROWDE-UUFIZFKYSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+]CCC(C)(C)C1CC1)C1CNC1 ZINC000423138805 387916276 /nfs/dbraw/zinc/91/62/76/387916276.db2.gz UFBOLCRSBRTHMB-JTQLQIEISA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423155543 387935595 /nfs/dbraw/zinc/93/55/95/387935595.db2.gz QQWMARWJKGRSLO-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)C1)C1CNC1 ZINC000423157870 387936718 /nfs/dbraw/zinc/93/67/18/387936718.db2.gz BTKCKWBMIWQKOV-NEPJUHHUSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000423156386 387936756 /nfs/dbraw/zinc/93/67/56/387936756.db2.gz SILLMZKOBQILJP-WOPDTQHZSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCC1(F)F ZINC000423156386 387936757 /nfs/dbraw/zinc/93/67/57/387936757.db2.gz SILLMZKOBQILJP-WOPDTQHZSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccccn1 ZINC000423143833 387920472 /nfs/dbraw/zinc/92/04/72/387920472.db2.gz DZGRXGFBOISFQH-NEPJUHHUSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000423143833 387920473 /nfs/dbraw/zinc/92/04/73/387920473.db2.gz DZGRXGFBOISFQH-NEPJUHHUSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@@H](NC[C@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000423143332 387921522 /nfs/dbraw/zinc/92/15/22/387921522.db2.gz CQHQIUKZQJUQPY-PWSUYJOCSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CSc2ccccc21)C1CNC1 ZINC000423143332 387921525 /nfs/dbraw/zinc/92/15/25/387921525.db2.gz CQHQIUKZQJUQPY-PWSUYJOCSA-N 1 3 248.395 2.073 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145445 387922975 /nfs/dbraw/zinc/92/29/75/387922975.db2.gz KROIIFBEYNSCBR-NNYUYHANSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000423147497 387925680 /nfs/dbraw/zinc/92/56/80/387925680.db2.gz SGXCKAVDFKJWLV-GHMZBOCLSA-N 1 3 234.334 2.400 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000423147600 387925718 /nfs/dbraw/zinc/92/57/18/387925718.db2.gz SGXCKAVDFKJWLV-WDEREUQCSA-N 1 3 234.334 2.400 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423167916 387953111 /nfs/dbraw/zinc/95/31/11/387953111.db2.gz GBKUKUXZZZBNOT-AAVRWANBSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423167917 387953182 /nfs/dbraw/zinc/95/31/82/387953182.db2.gz GBKUKUXZZZBNOT-REWJHTLYSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1CN ZINC000423169741 387954909 /nfs/dbraw/zinc/95/49/09/387954909.db2.gz KJJMILUNTKEYAG-FVCCEPFGSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1C[C@H]1C ZINC000321159187 387955230 /nfs/dbraw/zinc/95/52/30/387955230.db2.gz XBTPULVAWUTXJN-HTOAHKCRSA-N 1 3 222.376 2.247 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000423160970 387940329 /nfs/dbraw/zinc/94/03/29/387940329.db2.gz IFKVNZSMZPRDKY-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])nc1 ZINC000423160972 387940970 /nfs/dbraw/zinc/94/09/70/387940970.db2.gz IFKVNZSMZPRDKY-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO CC[C@H](C)[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423159426 387941669 /nfs/dbraw/zinc/94/16/69/387941669.db2.gz PFKPXIIYTDIFNH-XUXIUFHCSA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)OC ZINC000423159426 387941676 /nfs/dbraw/zinc/94/16/76/387941676.db2.gz PFKPXIIYTDIFNH-XUXIUFHCSA-N 1 3 242.407 2.025 20 0 BEADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423161547 387944316 /nfs/dbraw/zinc/94/43/16/387944316.db2.gz JBEPBHDGROGZPK-XJFOESAGSA-N 1 3 240.391 2.192 20 0 BEADHO C[C@@H]1CCCN1CCC[N@@H+]1CCC[C@H]1C ZINC000245439485 387945653 /nfs/dbraw/zinc/94/56/53/387945653.db2.gz FVXDOWTUIMMQKR-CHWSQXEVSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1CCCN1CCC[N@H+]1CCC[C@H]1C ZINC000245439485 387945655 /nfs/dbraw/zinc/94/56/55/387945655.db2.gz FVXDOWTUIMMQKR-CHWSQXEVSA-N 1 3 210.365 2.345 20 0 BEADHO CCC[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000423164624 387948943 /nfs/dbraw/zinc/94/89/43/387948943.db2.gz XGUKXFFGNJBZKZ-CMPLNLGQSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245692288 387972029 /nfs/dbraw/zinc/97/20/29/387972029.db2.gz WGUJUCNFUCPKTN-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245692288 387972035 /nfs/dbraw/zinc/97/20/35/387972035.db2.gz WGUJUCNFUCPKTN-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423180561 387965556 /nfs/dbraw/zinc/96/55/56/387965556.db2.gz FFIKPTSZOWRXDZ-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000423183213 387967847 /nfs/dbraw/zinc/96/78/47/387967847.db2.gz HJIBXGYBISWHKA-UONOGXRCSA-N 1 3 248.370 2.171 20 0 BEADHO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCCN ZINC000423183213 387967852 /nfs/dbraw/zinc/96/78/52/387967852.db2.gz HJIBXGYBISWHKA-UONOGXRCSA-N 1 3 248.370 2.171 20 0 BEADHO Cc1ccc(C[C@@H]([NH2+]CCCN)C2CC2)cc1 ZINC000423181097 387967873 /nfs/dbraw/zinc/96/78/73/387967873.db2.gz FLQMDRWJMJYSTF-OAHLLOKOSA-N 1 3 232.371 2.255 20 0 BEADHO Cc1ccc(C[C@H]([NH2+]CCCN)C2CC2)cc1 ZINC000423181096 387968094 /nfs/dbraw/zinc/96/80/94/387968094.db2.gz FLQMDRWJMJYSTF-HNNXBMFYSA-N 1 3 232.371 2.255 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423185527 387970477 /nfs/dbraw/zinc/97/04/77/387970477.db2.gz NWHYQZPCQCSSIM-FDYHWXHSSA-N 1 3 234.343 2.243 20 0 BEADHO CC[C@H]([NH2+]C1CCNCC1)c1cccc(OC)c1 ZINC000423186401 387971078 /nfs/dbraw/zinc/97/10/78/387971078.db2.gz NYNXTVJBLFXMNZ-HNNXBMFYSA-N 1 3 248.370 2.488 20 0 BEADHO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCN)cc1 ZINC000423187594 387971727 /nfs/dbraw/zinc/97/17/27/387971727.db2.gz KXCASEAQHQWQJD-NILFDRSVSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1c1ccccc1F ZINC000423170641 387957820 /nfs/dbraw/zinc/95/78/20/387957820.db2.gz MMRKZWAVXDQKCS-JYYRZZBQSA-N 1 3 236.334 2.397 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423194865 387979259 /nfs/dbraw/zinc/97/92/59/387979259.db2.gz RYPLXRBIBGKWJF-GXTWGEPZSA-N 1 3 233.359 2.046 20 0 BEADHO NCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000423193917 387979488 /nfs/dbraw/zinc/97/94/88/387979488.db2.gz QZVOJWFFACVTDQ-UONOGXRCSA-N 1 3 218.344 2.261 20 0 BEADHO Cc1ccccc1C[C@@H]([NH2+]CCCN)C1CC1 ZINC000423189152 387973534 /nfs/dbraw/zinc/97/35/34/387973534.db2.gz MOXKXCQKWXBVKP-OAHLLOKOSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])CS1 ZINC000423189904 387974321 /nfs/dbraw/zinc/97/43/21/387974321.db2.gz RMHKHGUVWPVCQE-NOOOWODRSA-N 1 3 228.405 2.130 20 0 BEADHO CC(C)=CCC[C@@H](C)N[C@H]1CCC[NH2+]C1 ZINC000423192141 387977538 /nfs/dbraw/zinc/97/75/38/387977538.db2.gz PNYDHRXVCVLODA-OLZOCXBDSA-N 1 3 210.365 2.463 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423201679 387987685 /nfs/dbraw/zinc/98/76/85/387987685.db2.gz PMRKUWYCJDQJEP-SNPRPXQTSA-N 1 3 232.371 2.378 20 0 BEADHO C[NH2+]CCCN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423201679 387987688 /nfs/dbraw/zinc/98/76/88/387987688.db2.gz PMRKUWYCJDQJEP-SNPRPXQTSA-N 1 3 232.371 2.378 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000423201886 387988307 /nfs/dbraw/zinc/98/83/07/387988307.db2.gz QDTTVSTUNYNGIA-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1C[C@H]1C ZINC000423205623 387990624 /nfs/dbraw/zinc/99/06/24/387990624.db2.gz FGIYLXSMNBIONZ-LPWJVIDDSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCNC ZINC000423205039 387991699 /nfs/dbraw/zinc/99/16/99/387991699.db2.gz VBYYVRYGRDSEFL-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423206406 387992134 /nfs/dbraw/zinc/99/21/34/387992134.db2.gz WSTMJOBANMTMKE-RYUDHWBXSA-N 1 3 216.344 2.104 20 0 BEADHO CO[C@@H](C)[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000423207688 387993184 /nfs/dbraw/zinc/99/31/84/387993184.db2.gz YEFLYOSHUCXCGT-RYUDHWBXSA-N 1 3 228.380 2.051 20 0 BEADHO CO[C@@H](C)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423207688 387993187 /nfs/dbraw/zinc/99/31/87/387993187.db2.gz YEFLYOSHUCXCGT-RYUDHWBXSA-N 1 3 228.380 2.051 20 0 BEADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCN)C1 ZINC000423196598 387982267 /nfs/dbraw/zinc/98/22/67/387982267.db2.gz VQMSDFHMKOCHNL-KBPBESRZSA-N 1 3 247.386 2.355 20 0 BEADHO CNCCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000423198214 387983484 /nfs/dbraw/zinc/98/34/84/387983484.db2.gz DSGIQCUMPASXOK-OAHLLOKOSA-N 1 3 234.387 2.453 20 0 BEADHO [NH3+]CCCN[C@@H]1CCc2ccc(Cl)cc21 ZINC000423197570 387983984 /nfs/dbraw/zinc/98/39/84/387983984.db2.gz ZWRGRZKEVOTHRC-GFCCVEGCSA-N 1 3 224.735 2.266 20 0 BEADHO CCO[C@H]1C[C@H](NCCC[NH2+]C)C1(CC)CC ZINC000423198090 387984207 /nfs/dbraw/zinc/98/42/07/387984207.db2.gz CZWZJNACGOBRBD-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO COC[C@H](NCC1([NH3+])CCCCCC1)C(C)C ZINC000423198729 387984451 /nfs/dbraw/zinc/98/44/51/387984451.db2.gz HNHVKMQMKQTZRE-ZDUSSCGKSA-N 1 3 242.407 2.299 20 0 BEADHO CCO[C@@H]1C[C@H](NCCC[NH2+]C)C1(CC)CC ZINC000423198089 387984459 /nfs/dbraw/zinc/98/44/59/387984459.db2.gz CZWZJNACGOBRBD-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)[C@H]1CCCO1 ZINC000423198818 387984521 /nfs/dbraw/zinc/98/45/21/387984521.db2.gz ICHQBGINITYKHA-CHWSQXEVSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@@H](NCC1([NH3+])CCCCCC1)[C@H]1CCCO1 ZINC000423198818 387984523 /nfs/dbraw/zinc/98/45/23/387984523.db2.gz ICHQBGINITYKHA-CHWSQXEVSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCC(C)(C)C ZINC000395092562 387986602 /nfs/dbraw/zinc/98/66/02/387986602.db2.gz AKLPFUDCGRHELJ-GHMZBOCLSA-N 1 3 200.370 2.386 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@H]1C[C@@H]1C ZINC000423215942 387996854 /nfs/dbraw/zinc/99/68/54/387996854.db2.gz NUWIJEVQRSGBFO-ZSLBOAEBSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC1)[C@H]1CCCC[C@H]1C ZINC000423163895 387998136 /nfs/dbraw/zinc/99/81/36/387998136.db2.gz WCBMGJYZCRCOOK-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H]1C[C@H]1C ZINC000423216064 387998503 /nfs/dbraw/zinc/99/85/03/387998503.db2.gz NYLFJHSSVPZARB-MOLYVOAJSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccc(CCN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420408090 387999071 /nfs/dbraw/zinc/99/90/71/387999071.db2.gz OWXZEAQXPHNQEF-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC000420408090 387999076 /nfs/dbraw/zinc/99/90/76/387999076.db2.gz OWXZEAQXPHNQEF-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@H](CN)C2)cc1 ZINC000420408090 387999079 /nfs/dbraw/zinc/99/90/79/387999079.db2.gz OWXZEAQXPHNQEF-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423222634 388004008 /nfs/dbraw/zinc/00/40/08/388004008.db2.gz BXQZYKYFDAJPDR-KCQAQPDRSA-N 1 3 247.386 2.435 20 0 BEADHO C[NH2+]CCN[C@H](C)[C@H](C)C1CCCCC1 ZINC000423222483 388004146 /nfs/dbraw/zinc/00/41/46/388004146.db2.gz BGODMHYNRYOMIM-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cccc([C@H](C)NCC[C@H](C)[NH3+])c1 ZINC000423223822 388005105 /nfs/dbraw/zinc/00/51/05/388005105.db2.gz ATBWMVSSSGTMMJ-RYUDHWBXSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCCc2sccc21 ZINC000423223505 388005792 /nfs/dbraw/zinc/00/57/92/388005792.db2.gz AHAVRPNQKAQGOY-GXSJLCMTSA-N 1 3 224.373 2.452 20 0 BEADHO C[NH2+]CCNC(CC(C)C)CC(C)C ZINC000423223698 388006017 /nfs/dbraw/zinc/00/60/17/388006017.db2.gz HEXRAXVXNMWMHF-UHFFFAOYSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](c1ccccc1)C1CC1 ZINC000423225163 388007280 /nfs/dbraw/zinc/00/72/80/388007280.db2.gz LOCFAACVSUCLKY-FZMZJTMJSA-N 1 3 218.344 2.465 20 0 BEADHO CC[NH+]1CCC(N[C@@H](C)CC(F)(F)F)CC1 ZINC000159322636 388007534 /nfs/dbraw/zinc/00/75/34/388007534.db2.gz VDUTZUKRCQRHSN-VIFPVBQESA-N 1 3 238.297 2.401 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NCC[C@H](C)[NH3+])CC2 ZINC000423225366 388008281 /nfs/dbraw/zinc/00/82/81/388008281.db2.gz MMOHXMDMCRVPRS-FZMZJTMJSA-N 1 3 218.344 2.309 20 0 BEADHO Cc1nc([C@@H](C)NCC[C@@H]2CC[NH2+]C2)cs1 ZINC000423240724 388024070 /nfs/dbraw/zinc/02/40/70/388024070.db2.gz CRDWUFCCAZXSQE-KOLCDFICSA-N 1 3 239.388 2.102 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@H](CCC(C)C)C1 ZINC000423240998 388024574 /nfs/dbraw/zinc/02/45/74/388024574.db2.gz HPARBXCEGDGTJI-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[C@@H](NCCC(F)(F)F)CC[N@@H+]1C ZINC000156617287 388011630 /nfs/dbraw/zinc/01/16/30/388011630.db2.gz WIHKDPFESIUBLM-BDAKNGLRSA-N 1 3 224.270 2.011 20 0 BEADHO C[C@@H]1C[C@@H](NCCC(F)(F)F)CC[N@H+]1C ZINC000156617287 388011632 /nfs/dbraw/zinc/01/16/32/388011632.db2.gz WIHKDPFESIUBLM-BDAKNGLRSA-N 1 3 224.270 2.011 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CC2)C1 ZINC000156630405 388012354 /nfs/dbraw/zinc/01/23/54/388012354.db2.gz WDLWPLOVQWTOFC-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CC2)C1 ZINC000156630405 388012357 /nfs/dbraw/zinc/01/23/57/388012357.db2.gz WDLWPLOVQWTOFC-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000156630405 388012358 /nfs/dbraw/zinc/01/23/58/388012358.db2.gz WDLWPLOVQWTOFC-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000156630405 388012359 /nfs/dbraw/zinc/01/23/59/388012359.db2.gz WDLWPLOVQWTOFC-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO C(N[C@H](C1CC1)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000423229409 388015084 /nfs/dbraw/zinc/01/50/84/388015084.db2.gz BFASKISWGDPVFK-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H](C1CC1)C1CCCC1)[C@H]1CCCN1 ZINC000423229409 388015087 /nfs/dbraw/zinc/01/50/87/388015087.db2.gz BFASKISWGDPVFK-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO C(N[C@@H](C1CC1)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423229410 388015317 /nfs/dbraw/zinc/01/53/17/388015317.db2.gz BFASKISWGDPVFK-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@@H](C1CC1)C1CCCC1)[C@@H]1CCCN1 ZINC000423229410 388015319 /nfs/dbraw/zinc/01/53/19/388015319.db2.gz BFASKISWGDPVFK-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO CCOc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423235272 388019304 /nfs/dbraw/zinc/01/93/04/388019304.db2.gz QRDNFRKTDHSEPF-RYUDHWBXSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCc2ccccc21 ZINC000423236163 388020044 /nfs/dbraw/zinc/02/00/44/388020044.db2.gz RPSPRASMLWZZCJ-GXFFZTMASA-N 1 3 204.317 2.001 20 0 BEADHO CCc1cccnc1[C@H](C)NCC[C@H]1CC[NH2+]C1 ZINC000423248748 388032131 /nfs/dbraw/zinc/03/21/31/388032131.db2.gz NSFWFAOMQGTTNS-QWHCGFSZSA-N 1 3 247.386 2.294 20 0 BEADHO CCc1cccnc1[C@H](C)NCC[C@@H]1CC[NH2+]C1 ZINC000423248749 388032346 /nfs/dbraw/zinc/03/23/46/388032346.db2.gz NSFWFAOMQGTTNS-STQMWFEESA-N 1 3 247.386 2.294 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cccs1 ZINC000423264271 388041679 /nfs/dbraw/zinc/04/16/79/388041679.db2.gz PSELINBPAPZJCZ-VHSXEESVSA-N 1 3 212.362 2.382 20 0 BEADHO CSCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982666 388041948 /nfs/dbraw/zinc/04/19/48/388041948.db2.gz BVZGTHZHIBGPLJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982666 388041950 /nfs/dbraw/zinc/04/19/50/388041950.db2.gz BVZGTHZHIBGPLJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000159982666 388041954 /nfs/dbraw/zinc/04/19/54/388041954.db2.gz BVZGTHZHIBGPLJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423264522 388042140 /nfs/dbraw/zinc/04/21/40/388042140.db2.gz CDXDHYJCRURPRR-DFBGVHRSSA-N 1 3 232.371 2.493 20 0 BEADHO CC[NH2+]CCN[C@@H](C)C1C(C)(C)C1(C)C ZINC000423242942 388026683 /nfs/dbraw/zinc/02/66/83/388026683.db2.gz JRTMJTDOBOJRAF-JTQLQIEISA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccnc([C@@H](C)NCC[C@H]2CC[NH2+]C2)c1 ZINC000423247266 388030444 /nfs/dbraw/zinc/03/04/44/388030444.db2.gz KYBWZXBNXYKPEO-CHWSQXEVSA-N 1 3 233.359 2.040 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCN1 ZINC000423246600 388030573 /nfs/dbraw/zinc/03/05/73/388030573.db2.gz ZLXZRTDVJCNFPO-QWHCGFSZSA-N 1 3 210.365 2.463 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000423276148 388056132 /nfs/dbraw/zinc/05/61/32/388056132.db2.gz OFDNJCZWQMEMAT-TUAOUCFPSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000423276145 388057024 /nfs/dbraw/zinc/05/70/24/388057024.db2.gz OFDNJCZWQMEMAT-QJPTWQEYSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000423280282 388062372 /nfs/dbraw/zinc/06/23/72/388062372.db2.gz UISHVJHHUHJQTF-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423281020 388063924 /nfs/dbraw/zinc/06/39/24/388063924.db2.gz VHUIDXIUOZLWBV-XQQFMLRXSA-N 1 3 230.371 2.350 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000423283449 388064713 /nfs/dbraw/zinc/06/47/13/388064713.db2.gz WEIRWKOZZNLVCV-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423283115 388065368 /nfs/dbraw/zinc/06/53/68/388065368.db2.gz XFRSNHLYAAVQPN-BXUZGUMPSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CNC ZINC000423284417 388067863 /nfs/dbraw/zinc/06/78/63/388067863.db2.gz YLDWFLKRNPIIHJ-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423285371 388068547 /nfs/dbraw/zinc/06/85/47/388068547.db2.gz ZFBDFIKDNLZODV-KGLIPLIRSA-N 1 3 235.375 2.352 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)[C@H]1C[C@H]1C ZINC000423285227 388069772 /nfs/dbraw/zinc/06/97/72/388069772.db2.gz YBASZRXTOPYMDA-MOLYVOAJSA-N 1 3 210.365 2.138 20 0 BEADHO CC[C@H](F)CN1CCC(C[NH+](C)C)CC1 ZINC000440700900 388071351 /nfs/dbraw/zinc/07/13/51/388071351.db2.gz ZLOISITULIOSHG-LBPRGKRZSA-N 1 3 216.344 2.008 20 0 BEADHO Cc1ccsc1[C@@H](C)[NH2+]CC(C)(C)N ZINC000423286284 388071644 /nfs/dbraw/zinc/07/16/44/388071644.db2.gz GKPYGOTYKLBCLK-SECBINFHSA-N 1 3 212.362 2.444 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C1(CC)CC ZINC000423286908 388071709 /nfs/dbraw/zinc/07/17/09/388071709.db2.gz JJFWQRNYHGVTQN-VXGBXAGGSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H]([NH2+]CC(C)(C)N)c1cccc(OC)c1 ZINC000423288399 388072733 /nfs/dbraw/zinc/07/27/33/388072733.db2.gz RYZFXNPPEJTZMN-ZDUSSCGKSA-N 1 3 236.359 2.473 20 0 BEADHO CC(C)(N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423287997 388072976 /nfs/dbraw/zinc/07/29/76/388072976.db2.gz PVRANINGYYJEOP-CYBMUJFWSA-N 1 3 233.359 2.250 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)N ZINC000423288469 388073414 /nfs/dbraw/zinc/07/34/14/388073414.db2.gz SGKYPKWEAPLMCQ-LBPRGKRZSA-N 1 3 234.343 2.009 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000084217907 388075710 /nfs/dbraw/zinc/07/57/10/388075710.db2.gz SZHJUTMGBIUKFH-UONOGXRCSA-N 1 3 218.344 2.212 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000084217743 388075717 /nfs/dbraw/zinc/07/57/17/388075717.db2.gz ADVNANUONCYZQX-YPMHNXCESA-N 1 3 222.307 2.043 20 0 BEADHO Cc1cc(C)c(C[NH2+]C2CCNCC2)c(C)c1 ZINC000084517094 388078736 /nfs/dbraw/zinc/07/87/36/388078736.db2.gz QMFQVLPQLBVEAN-UHFFFAOYSA-N 1 3 232.371 2.453 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000261528050 135152506 /nfs/dbraw/zinc/15/25/06/135152506.db2.gz JCVPLOSJQCMHMO-IUCAKERBSA-N 1 3 212.724 2.165 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(F)cc2)C1 ZINC000086401979 388101507 /nfs/dbraw/zinc/10/15/07/388101507.db2.gz DUWYZRDMEYIYJF-STQMWFEESA-N 1 3 222.307 2.185 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423266961 388045059 /nfs/dbraw/zinc/04/50/59/388045059.db2.gz DMNAFMLJFLMRDR-AVGNSLFASA-N 1 3 242.407 2.024 20 0 BEADHO Cc1cc(C)cc([C@@H](C)NCCC[NH3+])c1 ZINC000148358272 388046050 /nfs/dbraw/zinc/04/60/50/388046050.db2.gz QDLJBDHEFPDHKP-GFCCVEGCSA-N 1 3 206.333 2.303 20 0 BEADHO COc1cccc([C@@H](C)[NH2+]C[C@H](N)C(C)C)c1 ZINC000423269285 388047413 /nfs/dbraw/zinc/04/74/13/388047413.db2.gz VWWJWDQUGODBCT-RISCZKNCSA-N 1 3 236.359 2.329 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000423213879 388048729 /nfs/dbraw/zinc/04/87/29/388048729.db2.gz LVEJYLCQJPMURG-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000488464204 388181135 /nfs/dbraw/zinc/18/11/35/388181135.db2.gz RGNFRHTYQQQAFB-IUODEOHRSA-N 1 3 232.371 2.494 20 0 BEADHO C1CC1[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000324843455 388124819 /nfs/dbraw/zinc/12/48/19/388124819.db2.gz XESHORAVMSBKMS-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO C1CC1[C@H]([NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000324843456 388124953 /nfs/dbraw/zinc/12/49/53/388124953.db2.gz XESHORAVMSBKMS-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000449095307 388141366 /nfs/dbraw/zinc/14/13/66/388141366.db2.gz XQSKYQIGFNPCGJ-XQQFMLRXSA-N 1 3 242.432 2.059 20 0 BEADHO CC[C@H](O)[C@H](CC)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000313148077 256541514 /nfs/dbraw/zinc/54/15/14/256541514.db2.gz KCZRBEDUXQFOLH-QPSCCSFWSA-N 1 3 248.370 2.270 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164666219 388242438 /nfs/dbraw/zinc/24/24/38/388242438.db2.gz ISLWBCJGLUPLAK-WCQYABFASA-N 1 3 212.381 2.339 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164666219 388242441 /nfs/dbraw/zinc/24/24/41/388242441.db2.gz ISLWBCJGLUPLAK-WCQYABFASA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C)CN(C)C ZINC000491549717 388303426 /nfs/dbraw/zinc/30/34/26/388303426.db2.gz WGTNZXHASDHXCE-ZDUSSCGKSA-N 1 3 249.402 2.040 20 0 BEADHO CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCC1 ZINC000086404245 388348362 /nfs/dbraw/zinc/34/83/62/388348362.db2.gz JWTCIMSZIBUOQC-NEPJUHHUSA-N 1 3 210.365 2.426 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H](C)C[C@H](C)N)cn1 ZINC000572721725 388370904 /nfs/dbraw/zinc/37/09/04/388370904.db2.gz BVONCVDYMLCBQJ-AAEUAGOBSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1ccc(CCCN[C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000572721725 388370908 /nfs/dbraw/zinc/37/09/08/388370908.db2.gz BVONCVDYMLCBQJ-AAEUAGOBSA-N 1 3 235.375 2.038 20 0 BEADHO C[NH+](C)Cc1ccc(CNCC2(F)CC2)cc1 ZINC000525981885 388447046 /nfs/dbraw/zinc/44/70/46/388447046.db2.gz GWMKJQIGZKBLDI-UHFFFAOYSA-N 1 3 236.334 2.340 20 0 BEADHO C[C@H](NC1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000335158290 388449052 /nfs/dbraw/zinc/44/90/52/388449052.db2.gz SBZADZFRFGKSEY-CMPLNLGQSA-N 1 3 228.405 2.002 20 0 BEADHO C[C@@H](NC1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000335158295 388449214 /nfs/dbraw/zinc/44/92/14/388449214.db2.gz SBZADZFRFGKSEY-PWSUYJOCSA-N 1 3 228.405 2.002 20 0 BEADHO CCc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336673901 388461514 /nfs/dbraw/zinc/46/15/14/388461514.db2.gz OVTNHVDXOIUFED-NEPJUHHUSA-N 1 3 220.360 2.494 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CCCCCF)C[C@@H]1CN ZINC000397397277 388465608 /nfs/dbraw/zinc/46/56/08/388465608.db2.gz POKCESQEZLGYLH-UPJWGTAASA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCCF)C[C@@H]1CN ZINC000397397277 388465612 /nfs/dbraw/zinc/46/56/12/388465612.db2.gz POKCESQEZLGYLH-UPJWGTAASA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@@H](C)N(CCCCCF)C[C@@H]1C[NH3+] ZINC000397397277 388465614 /nfs/dbraw/zinc/46/56/14/388465614.db2.gz POKCESQEZLGYLH-UPJWGTAASA-N 1 3 230.371 2.431 20 0 BEADHO CCC[C@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717618 388467756 /nfs/dbraw/zinc/46/77/56/388467756.db2.gz YCMUJNBEBMDCNA-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000034620096 388476429 /nfs/dbraw/zinc/47/64/29/388476429.db2.gz YAQVUKXLGVEJBT-QWHCGFSZSA-N 1 3 218.344 2.289 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000245630668 388426030 /nfs/dbraw/zinc/42/60/30/388426030.db2.gz PYGVYQQLMWTVOK-TZMCWYRMSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000245630668 388426032 /nfs/dbraw/zinc/42/60/32/388426032.db2.gz PYGVYQQLMWTVOK-TZMCWYRMSA-N 1 3 222.376 2.345 20 0 BEADHO CC[C@](C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000322514412 388437374 /nfs/dbraw/zinc/43/73/74/388437374.db2.gz JTUQVBUJCCDHNK-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@](C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000322514412 388437378 /nfs/dbraw/zinc/43/73/78/388437378.db2.gz JTUQVBUJCCDHNK-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](CNC1CC[NH+](C(C)(C)C)CC1)OC ZINC000353562181 388542610 /nfs/dbraw/zinc/54/26/10/388542610.db2.gz RQQFHNCGAXZNMF-CYBMUJFWSA-N 1 3 242.407 2.264 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CCC[C@@H]1CNC ZINC000261552914 135192150 /nfs/dbraw/zinc/19/21/50/135192150.db2.gz SBKRNRRZJPYGCU-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(C)(C)CC[N@H+]1CCC[C@@H]1CNC ZINC000261552914 135192152 /nfs/dbraw/zinc/19/21/52/135192152.db2.gz SBKRNRRZJPYGCU-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]([NH2+]CCCNC1CC1)[C@@H]1CC1(C)C ZINC000397867826 388507592 /nfs/dbraw/zinc/50/75/92/388507592.db2.gz ZHGCHGBBQHNUBG-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976433 388513115 /nfs/dbraw/zinc/51/31/15/388513115.db2.gz KRJAUPNCDIHQBW-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000347093882 388521882 /nfs/dbraw/zinc/52/18/82/388521882.db2.gz GUQGYRUDRCRMGF-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](CN)C2)C1 ZINC000347093882 388521885 /nfs/dbraw/zinc/52/18/85/388521885.db2.gz GUQGYRUDRCRMGF-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@H]2CCC[C@@H]21 ZINC000550934147 388617544 /nfs/dbraw/zinc/61/75/44/388617544.db2.gz WVMNOXKPDVJCNZ-DGTMBMJNSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@H]2CCC[C@@H]21 ZINC000550934147 388617545 /nfs/dbraw/zinc/61/75/45/388617545.db2.gz WVMNOXKPDVJCNZ-DGTMBMJNSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@H]2CCC[C@@H]21 ZINC000550934147 388617548 /nfs/dbraw/zinc/61/75/48/388617548.db2.gz WVMNOXKPDVJCNZ-DGTMBMJNSA-N 1 3 240.366 2.339 20 0 BEADHO CCC[C@H](C)CN1CCC([NH2+]CCOC)CC1 ZINC000548881185 388568477 /nfs/dbraw/zinc/56/84/77/388568477.db2.gz DAJZTGOZOSSLPO-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000081572168 388584169 /nfs/dbraw/zinc/58/41/69/388584169.db2.gz BERZUPDNUKPJPD-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000081572168 388584171 /nfs/dbraw/zinc/58/41/71/388584171.db2.gz BERZUPDNUKPJPD-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CC(C)C)C1 ZINC000081572168 388584172 /nfs/dbraw/zinc/58/41/72/388584172.db2.gz BERZUPDNUKPJPD-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CC(C)C)C1 ZINC000081572168 388584175 /nfs/dbraw/zinc/58/41/75/388584175.db2.gz BERZUPDNUKPJPD-CYBMUJFWSA-N 1 3 212.381 2.306 20 0 BEADHO CCC(C)(C)CC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000261546687 135239456 /nfs/dbraw/zinc/23/94/56/135239456.db2.gz LFOTVAFIHORERU-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530176281 388620889 /nfs/dbraw/zinc/62/08/89/388620889.db2.gz AKINQRPZNMKSAE-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO CCCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530176689 388621592 /nfs/dbraw/zinc/62/15/92/388621592.db2.gz JWALNLYBTVJDKM-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO CCC[C@H](C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530178567 388621702 /nfs/dbraw/zinc/62/17/02/388621702.db2.gz OMJRDBVYGQXPDO-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO COCC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125963792 388684131 /nfs/dbraw/zinc/68/41/31/388684131.db2.gz NOLJLDROLZGZEV-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000530214761 388629283 /nfs/dbraw/zinc/62/92/83/388629283.db2.gz CQOZGFHMUDVBNE-RYUDHWBXSA-N 1 3 220.360 2.193 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)C(C)C ZINC000530217455 388629913 /nfs/dbraw/zinc/62/99/13/388629913.db2.gz GQBWZNLADXFZKB-NWDGAFQWSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530217455 388629915 /nfs/dbraw/zinc/62/99/15/388629915.db2.gz GQBWZNLADXFZKB-NWDGAFQWSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@H]1C ZINC000530216140 388629950 /nfs/dbraw/zinc/62/99/50/388629950.db2.gz MVYIMMVHRFWUKG-MROQNXINSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1C[C@H]1C ZINC000530216140 388629951 /nfs/dbraw/zinc/62/99/51/388629951.db2.gz MVYIMMVHRFWUKG-MROQNXINSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530217920 388630843 /nfs/dbraw/zinc/63/08/43/388630843.db2.gz JCWDBKXJBDBPEG-STQMWFEESA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530217920 388630846 /nfs/dbraw/zinc/63/08/46/388630846.db2.gz JCWDBKXJBDBPEG-STQMWFEESA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H]1CN(CC2CC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000530217920 388630848 /nfs/dbraw/zinc/63/08/48/388630848.db2.gz JCWDBKXJBDBPEG-STQMWFEESA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221202 388633079 /nfs/dbraw/zinc/63/30/79/388633079.db2.gz OTNSCSGUROBYFI-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530221202 388633081 /nfs/dbraw/zinc/63/30/81/388633081.db2.gz OTNSCSGUROBYFI-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530221200 388633259 /nfs/dbraw/zinc/63/32/59/388633259.db2.gz OTNSCSGUROBYFI-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530221200 388633260 /nfs/dbraw/zinc/63/32/60/388633260.db2.gz OTNSCSGUROBYFI-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C1CC1C(N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530224181 388633631 /nfs/dbraw/zinc/63/36/31/388633631.db2.gz VCXSEPZVWWCAKA-LBPRGKRZSA-N 1 3 220.360 2.049 20 0 BEADHO C1CC1C([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530224181 388633634 /nfs/dbraw/zinc/63/36/34/388633634.db2.gz VCXSEPZVWWCAKA-LBPRGKRZSA-N 1 3 220.360 2.049 20 0 BEADHO [NH3+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000521398902 388704541 /nfs/dbraw/zinc/70/45/41/388704541.db2.gz GMASNXQZSDUFSG-AWEZNQCLSA-N 1 3 230.355 2.247 20 0 BEADHO CCOC[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000128553481 388771491 /nfs/dbraw/zinc/77/14/91/388771491.db2.gz BWEAWHYGZOGJIB-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000128553481 388771493 /nfs/dbraw/zinc/77/14/93/388771493.db2.gz BWEAWHYGZOGJIB-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCOC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000128553481 388771498 /nfs/dbraw/zinc/77/14/98/388771498.db2.gz BWEAWHYGZOGJIB-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)C2CC2)C1 ZINC000252717144 388775574 /nfs/dbraw/zinc/77/55/74/388775574.db2.gz ZWAFCOFRNMHMNP-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO CCN(CC1CCC1)C[C@]1(C)CC[NH2+]C1 ZINC000230320746 388824065 /nfs/dbraw/zinc/82/40/65/388824065.db2.gz QQPCKLALTDCBNT-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000565609814 388958533 /nfs/dbraw/zinc/95/85/33/388958533.db2.gz RMZYZPZDDDHLKW-JKSUJKDBSA-N 1 3 244.382 2.261 20 0 BEADHO Cc1cc(F)ccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000565951137 388980432 /nfs/dbraw/zinc/98/04/32/388980432.db2.gz KRJKKJXFABFKHF-GHMZBOCLSA-N 1 3 224.323 2.350 20 0 BEADHO COCCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166395484 533231841 /nfs/dbraw/zinc/23/18/41/533231841.db2.gz CAOAORRTKFXVRY-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166395484 533231845 /nfs/dbraw/zinc/23/18/45/533231845.db2.gz CAOAORRTKFXVRY-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166395484 533231847 /nfs/dbraw/zinc/23/18/47/533231847.db2.gz CAOAORRTKFXVRY-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](N[C@@H](C)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400378478 533494933 /nfs/dbraw/zinc/49/49/33/533494933.db2.gz JMFGYNGFYSLMHM-LOWVWBTDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CCCN1 ZINC000400378478 533494938 /nfs/dbraw/zinc/49/49/38/533494938.db2.gz JMFGYNGFYSLMHM-LOWVWBTDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000400378482 533499566 /nfs/dbraw/zinc/49/95/66/533499566.db2.gz JMFGYNGFYSLMHM-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000400378482 533499571 /nfs/dbraw/zinc/49/95/71/533499571.db2.gz JMFGYNGFYSLMHM-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1cc(N2CCN3CCCC[C@@H]3C2)cc[nH+]1 ZINC000274311101 132202775 /nfs/dbraw/zinc/20/27/75/132202775.db2.gz AVFJETPMUFKXMH-CQSZACIVSA-N 1 3 231.343 2.065 20 0 BEADHO Cc1cc(N2CCN(CC(C)C)CC2)cc[nH+]1 ZINC000274755620 132203985 /nfs/dbraw/zinc/20/39/85/132203985.db2.gz NSQSXXZDPRHICG-UHFFFAOYSA-N 1 3 233.359 2.168 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000334317522 132296234 /nfs/dbraw/zinc/29/62/34/132296234.db2.gz VAOUZCKDNVAKTM-DOMZBBRYSA-N 1 3 245.370 2.439 20 0 BEADHO C[C@H](F)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000352051357 134048195 /nfs/dbraw/zinc/04/81/95/134048195.db2.gz ZJQXEEBMTKIPAA-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO C[C@H](F)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000352051357 134048196 /nfs/dbraw/zinc/04/81/96/134048196.db2.gz ZJQXEEBMTKIPAA-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO Cc1cnccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000336103249 134084326 /nfs/dbraw/zinc/08/43/26/134084326.db2.gz UBWSFIXTWYYXEH-AWEZNQCLSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](N)[C@@H](C)C2)cc1 ZINC000336128592 134093621 /nfs/dbraw/zinc/09/36/21/134093621.db2.gz FEZBXXCFABHLKG-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](N)[C@@H](C)C2)cc1 ZINC000336128592 134093622 /nfs/dbraw/zinc/09/36/22/134093622.db2.gz FEZBXXCFABHLKG-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO CC[C@@H](C)N1CCC([NH2+]CC2CC2)CC1 ZINC000168534228 134225735 /nfs/dbraw/zinc/22/57/35/134225735.db2.gz APOSOWWVTPRGRM-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000168770059 134247682 /nfs/dbraw/zinc/24/76/82/134247682.db2.gz VQBZZFNQTVKSCA-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc(CN[C@@H](C)CC[NH3+])ccc1Cl ZINC000220484662 134305204 /nfs/dbraw/zinc/30/52/04/134305204.db2.gz KGLNXMSATDCRQT-JTQLQIEISA-N 1 3 226.751 2.475 20 0 BEADHO Cc1cc(C)cc(CN[C@H](C)CC[NH3+])c1 ZINC000220538963 134309783 /nfs/dbraw/zinc/30/97/83/134309783.db2.gz TYZQARIIERWZTL-GFCCVEGCSA-N 1 3 206.333 2.130 20 0 BEADHO CN1CCC[C@H]2C[N@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312143 /nfs/dbraw/zinc/31/21/43/134312143.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 1 3 240.467 2.280 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312144 /nfs/dbraw/zinc/31/21/44/134312144.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 1 3 240.467 2.280 20 0 BEADHO C[N@@H+]1CCC[C@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000178629240 134312145 /nfs/dbraw/zinc/31/21/45/134312145.db2.gz FWVDWNAGQWSCES-STQMWFEESA-N 1 3 240.467 2.280 20 0 BEADHO CSCC[C@@H](C)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000222338488 134328947 /nfs/dbraw/zinc/32/89/47/134328947.db2.gz SHEVVPZFANWOON-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000222028982 134329376 /nfs/dbraw/zinc/32/93/76/134329376.db2.gz IPVXRFFYDJXAEH-JHJVBQTASA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@H](C)CN(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000223399930 134338812 /nfs/dbraw/zinc/33/88/12/134338812.db2.gz YSMFLGKSOAHNRM-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224118035 134342152 /nfs/dbraw/zinc/34/21/52/134342152.db2.gz CTXGMSAWONUCHY-UTLUCORTSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224118035 134342153 /nfs/dbraw/zinc/34/21/53/134342153.db2.gz CTXGMSAWONUCHY-UTLUCORTSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@@H]1OCC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000227822549 134389120 /nfs/dbraw/zinc/38/91/20/134389120.db2.gz WUSWMRASACCZSY-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000227822549 134389121 /nfs/dbraw/zinc/38/91/21/134389121.db2.gz WUSWMRASACCZSY-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000227822549 134389123 /nfs/dbraw/zinc/38/91/23/134389123.db2.gz WUSWMRASACCZSY-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000232788883 134556367 /nfs/dbraw/zinc/55/63/67/134556367.db2.gz ZXMPPKZCOLCJJP-RYUDHWBXSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc2ncccc2c1 ZINC000136137743 134764669 /nfs/dbraw/zinc/76/46/69/134764669.db2.gz PTAFBSIIUIIMOX-NSHDSACASA-N 1 3 229.327 2.062 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@@H]1CCSC1 ZINC000163619979 135021294 /nfs/dbraw/zinc/02/12/94/135021294.db2.gz WCWJLNWPSCWMTD-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CC(C)CCC[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000250508840 135056268 /nfs/dbraw/zinc/05/62/68/135056268.db2.gz AVYBVBKYXPLCCL-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CCC[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000250508840 135056269 /nfs/dbraw/zinc/05/62/69/135056269.db2.gz AVYBVBKYXPLCCL-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCOC1 ZINC000251556863 135071067 /nfs/dbraw/zinc/07/10/67/135071067.db2.gz ADVDMASHOYPGNI-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCOC1 ZINC000251556863 135071069 /nfs/dbraw/zinc/07/10/69/135071069.db2.gz ADVDMASHOYPGNI-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCOC1 ZINC000251556863 135071070 /nfs/dbraw/zinc/07/10/70/135071070.db2.gz ADVDMASHOYPGNI-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@H](C)C[N@H+](CC)C[C@H]1CCCNC1 ZINC000251844467 135079064 /nfs/dbraw/zinc/07/90/64/135079064.db2.gz LYOJSVUYWGMXOV-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@H](C)C[N@@H+](CC)C[C@H]1CCCNC1 ZINC000251844467 135079066 /nfs/dbraw/zinc/07/90/66/135079066.db2.gz LYOJSVUYWGMXOV-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000252124096 135085013 /nfs/dbraw/zinc/08/50/13/135085013.db2.gz JUXZVNCDYBRTCN-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000252215430 135087728 /nfs/dbraw/zinc/08/77/28/135087728.db2.gz XNDMLUZBOMACPW-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252691061 135096765 /nfs/dbraw/zinc/09/67/65/135096765.db2.gz WUSWMRASACCZSY-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000252691061 135096766 /nfs/dbraw/zinc/09/67/66/135096766.db2.gz WUSWMRASACCZSY-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000252691061 135096768 /nfs/dbraw/zinc/09/67/68/135096768.db2.gz WUSWMRASACCZSY-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000086884477 135099460 /nfs/dbraw/zinc/09/94/60/135099460.db2.gz SNXWKUQNDKWVLI-GHMZBOCLSA-N 1 3 224.373 2.226 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)C[C@H](C)O ZINC000252751542 135107757 /nfs/dbraw/zinc/10/77/57/135107757.db2.gz GRXBOFOXLFVHJM-RFQIPJPRSA-N 1 3 242.407 2.046 20 0 BEADHO Cc1ccsc1C[NH2+]C[C@@H](N)C(C)C ZINC000087309998 135121718 /nfs/dbraw/zinc/12/17/18/135121718.db2.gz IBGOLLVELNBUHG-SNVBAGLBSA-N 1 3 212.362 2.129 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257690570 135139064 /nfs/dbraw/zinc/13/90/64/135139064.db2.gz JBACJOGWDMWQSV-UKRRQHHQSA-N 1 3 230.355 2.433 20 0 BEADHO C(C1CCCC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257703392 135140223 /nfs/dbraw/zinc/14/02/23/135140223.db2.gz QRUQXZVRHHYQEQ-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C(C1CCCC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257703392 135140224 /nfs/dbraw/zinc/14/02/24/135140224.db2.gz QRUQXZVRHHYQEQ-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@H](c1ccccn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257710315 135141000 /nfs/dbraw/zinc/14/10/00/135141000.db2.gz NPNRVLHWEANPFH-CYBMUJFWSA-N 1 3 245.370 2.218 20 0 BEADHO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000257789556 135141611 /nfs/dbraw/zinc/14/16/11/135141611.db2.gz XGYZEFMDIWROOC-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000257789556 135141613 /nfs/dbraw/zinc/14/16/13/135141613.db2.gz XGYZEFMDIWROOC-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCN2)C1 ZINC000261529211 135155185 /nfs/dbraw/zinc/15/51/85/135155185.db2.gz AJHJJCDWPYBIEO-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(CN)C1 ZINC000261530671 135157998 /nfs/dbraw/zinc/15/79/98/135157998.db2.gz NKAROOLZORJQCJ-GXTWGEPZSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(CN)C1 ZINC000261530671 135158000 /nfs/dbraw/zinc/15/80/00/135158000.db2.gz NKAROOLZORJQCJ-GXTWGEPZSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H](c1ccccc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261530671 135158001 /nfs/dbraw/zinc/15/80/01/135158001.db2.gz NKAROOLZORJQCJ-GXTWGEPZSA-N 1 3 218.344 2.418 20 0 BEADHO Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)s1 ZINC000261531191 135160230 /nfs/dbraw/zinc/16/02/30/135160230.db2.gz FPFYSVPCVXFHGE-LBPRGKRZSA-N 1 3 224.373 2.227 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CC2(C)CCC2)C1 ZINC000261531957 135161470 /nfs/dbraw/zinc/16/14/70/135161470.db2.gz IMSJZIIUFRFYEE-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000261531957 135161471 /nfs/dbraw/zinc/16/14/71/135161471.db2.gz IMSJZIIUFRFYEE-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261531957 135161472 /nfs/dbraw/zinc/16/14/72/135161472.db2.gz IMSJZIIUFRFYEE-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000261532041 135161831 /nfs/dbraw/zinc/16/18/31/135161831.db2.gz IVYQHQBGKDMDHU-LLVKDONJSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000261532042 135161922 /nfs/dbraw/zinc/16/19/22/135161922.db2.gz IVYQHQBGKDMDHU-NSHDSACASA-N 1 3 206.333 2.117 20 0 BEADHO C[C@@H]1[C@@H]([NH3+])CCN1CC1CCCCCC1 ZINC000261534857 135168810 /nfs/dbraw/zinc/16/88/10/135168810.db2.gz NFHFCLSXMCWUMF-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccs1 ZINC000261535069 135169106 /nfs/dbraw/zinc/16/91/06/135169106.db2.gz NRIIARWNIVDMOJ-OUAUKWLOSA-N 1 3 224.373 2.397 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000261536503 135171931 /nfs/dbraw/zinc/17/19/31/135171931.db2.gz RZEGZUTXLGLUGV-XQHKEYJVSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000261537019 135173524 /nfs/dbraw/zinc/17/35/24/135173524.db2.gz UPBDOCGOENLOID-BBBLOLIVSA-N 1 3 210.296 2.212 20 0 BEADHO CC(C)(N)C[NH2+][C@H]1CCc2ccccc21 ZINC000261537389 135173945 /nfs/dbraw/zinc/17/39/45/135173945.db2.gz VLXXLKNKDUNNIX-LBPRGKRZSA-N 1 3 204.317 2.001 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000261538482 135176051 /nfs/dbraw/zinc/17/60/51/135176051.db2.gz YGBVPRXODRERLQ-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000261540471 135179430 /nfs/dbraw/zinc/17/94/30/135179430.db2.gz AGBXKHCZLDHUEK-VNHYZAJKSA-N 1 3 232.371 2.378 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000261543981 135184623 /nfs/dbraw/zinc/18/46/23/135184623.db2.gz DJNKWOSTHVOHDB-AWEZNQCLSA-N 1 3 232.371 2.207 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H]1NCCc1ccccc1 ZINC000261543981 135184625 /nfs/dbraw/zinc/18/46/25/135184625.db2.gz DJNKWOSTHVOHDB-AWEZNQCLSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261549577 135188280 /nfs/dbraw/zinc/18/82/80/135188280.db2.gz KQTVCDDMIFGAES-IUCAKERBSA-N 1 3 244.285 2.113 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000261558088 135198495 /nfs/dbraw/zinc/19/84/95/135198495.db2.gz SGHYVCKLMWNWEF-GHMZBOCLSA-N 1 3 229.327 2.060 20 0 BEADHO C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261558246 135198886 /nfs/dbraw/zinc/19/88/86/135198886.db2.gz DBXMRYFZEVHEII-SDJAHQOYSA-N 1 3 246.354 2.146 20 0 BEADHO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c2ccccc2n1 ZINC000261562606 135204144 /nfs/dbraw/zinc/20/41/44/135204144.db2.gz GNFVTDZSDCNIIE-YPMHNXCESA-N 1 3 241.338 2.469 20 0 BEADHO Cc1nc(C)c(CN[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000261562663 135204369 /nfs/dbraw/zinc/20/43/69/135204369.db2.gz BMIOJCCBDGOZQC-MNOVXSKESA-N 1 3 239.388 2.119 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261562836 135204576 /nfs/dbraw/zinc/20/45/76/135204576.db2.gz BQJMWPCPNFEZPE-XJFOESAGSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)c2ccccc2n1 ZINC000261562594 135204696 /nfs/dbraw/zinc/20/46/96/135204696.db2.gz GNFVTDZSDCNIIE-AAEUAGOBSA-N 1 3 241.338 2.469 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(C)(C)O ZINC000261565389 135207845 /nfs/dbraw/zinc/20/78/45/135207845.db2.gz YHTZCBYCWZMHEN-QWHCGFSZSA-N 1 3 242.407 2.048 20 0 BEADHO Cc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261566583 135208355 /nfs/dbraw/zinc/20/83/55/135208355.db2.gz ZDDYZVFSBJPZBM-RRFJBIMHSA-N 1 3 230.355 2.164 20 0 BEADHO Cc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261566582 135208876 /nfs/dbraw/zinc/20/88/76/135208876.db2.gz ZDDYZVFSBJPZBM-KKUMJFAQSA-N 1 3 230.355 2.164 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH+]2CCC(N)CC2)C1 ZINC000084344408 135210354 /nfs/dbraw/zinc/21/03/54/135210354.db2.gz XZOHCXNNXJSUOL-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCC[C@H](CN2CCC([NH3+])CC2)C1 ZINC000084344408 135210356 /nfs/dbraw/zinc/21/03/56/135210356.db2.gz XZOHCXNNXJSUOL-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261569199 135211228 /nfs/dbraw/zinc/21/12/28/135211228.db2.gz JPTRGPMHCOVEIA-XHSDSOJGSA-N 1 3 244.382 2.473 20 0 BEADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)C1CCCC1 ZINC000261569370 135211470 /nfs/dbraw/zinc/21/14/70/135211470.db2.gz GFOFSMRPBNKKLV-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO Cc1ccccc1CN[C@@](C)(C[NH3+])C(C)C ZINC000261571046 135212808 /nfs/dbraw/zinc/21/28/08/135212808.db2.gz HIRCRNYTAPIZMN-AWEZNQCLSA-N 1 3 220.360 2.458 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@@H](N)[C@@H]2C)c1C ZINC000261576594 135217238 /nfs/dbraw/zinc/21/72/38/135217238.db2.gz KKGGXUAVNQYDLW-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@@H](N)[C@@H]2C)c1C ZINC000261576594 135217240 /nfs/dbraw/zinc/21/72/40/135217240.db2.gz KKGGXUAVNQYDLW-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(CN2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000261578956 135219770 /nfs/dbraw/zinc/21/97/70/135219770.db2.gz PFJODEJQBYDGGN-INIZCTEOSA-N 1 3 244.382 2.489 20 0 BEADHO C[C@@H](CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000261581614 135222077 /nfs/dbraw/zinc/22/20/77/135222077.db2.gz QUQXQJTYSSOGPQ-HOCLYGCPSA-N 1 3 244.382 2.476 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000261586989 135228530 /nfs/dbraw/zinc/22/85/30/135228530.db2.gz RLOLMQJTJSSXLZ-XHJNMGKDSA-N 1 3 224.392 2.399 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261593402 135233368 /nfs/dbraw/zinc/23/33/68/135233368.db2.gz WUAHUPUVSXPRJM-AXFHLTTASA-N 1 3 222.332 2.082 20 0 BEADHO C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1CN ZINC000261599726 135237631 /nfs/dbraw/zinc/23/76/31/135237631.db2.gz ZZCHRKGNHGFAAW-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1CN ZINC000261599726 135237633 /nfs/dbraw/zinc/23/76/33/135237633.db2.gz ZZCHRKGNHGFAAW-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO CCC(C)(C)CC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000261546687 135239455 /nfs/dbraw/zinc/23/94/55/135239455.db2.gz LFOTVAFIHORERU-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCN(CCC1CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547959 135240832 /nfs/dbraw/zinc/24/08/32/135240832.db2.gz MWZXEZFLNHGMEZ-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261548070 135242002 /nfs/dbraw/zinc/24/20/02/135242002.db2.gz JBCCGAUFHWRMHZ-QWHCGFSZSA-N 1 3 242.407 2.156 20 0 BEADHO Cc1ccc(CCN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261754119 135250201 /nfs/dbraw/zinc/25/02/01/135250201.db2.gz LKAJZHDAFGZPQC-OAHLLOKOSA-N 1 3 232.371 2.208 20 0 BEADHO CS[C@H]1CCCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261759666 135250300 /nfs/dbraw/zinc/25/03/00/135250300.db2.gz LDLMSKSTNMGGJA-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CS[C@@H]1CCCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261759663 135250438 /nfs/dbraw/zinc/25/04/38/135250438.db2.gz LDLMSKSTNMGGJA-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)CC1(C)C ZINC000261813355 135255099 /nfs/dbraw/zinc/25/50/99/135255099.db2.gz HVAWEDALHFXRML-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)CC1(C)C ZINC000261813355 135255100 /nfs/dbraw/zinc/25/51/00/135255100.db2.gz HVAWEDALHFXRML-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1c1ccccc1 ZINC000261886428 135260132 /nfs/dbraw/zinc/26/01/32/135260132.db2.gz ZCCJFVJVAFXVDK-CVEARBPZSA-N 1 3 244.382 2.461 20 0 BEADHO NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1c1ccccc1 ZINC000261886428 135260134 /nfs/dbraw/zinc/26/01/34/135260134.db2.gz ZCCJFVJVAFXVDK-CVEARBPZSA-N 1 3 244.382 2.461 20 0 BEADHO C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917405 135262578 /nfs/dbraw/zinc/26/25/78/135262578.db2.gz ZUHBSANXONROJQ-UONOGXRCSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H]1CC[N@H+](C[C@H]2CCCNC2)CC12CCC2 ZINC000262012348 135272324 /nfs/dbraw/zinc/27/23/24/135272324.db2.gz VEJYUCKSNDTXOY-KBPBESRZSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)CC12CCC2 ZINC000262012348 135272326 /nfs/dbraw/zinc/27/23/26/135272326.db2.gz VEJYUCKSNDTXOY-KBPBESRZSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)CC12CCC2 ZINC000262012349 135272485 /nfs/dbraw/zinc/27/24/85/135272485.db2.gz VEJYUCKSNDTXOY-KGLIPLIRSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)CC12CCC2 ZINC000262012349 135272486 /nfs/dbraw/zinc/27/24/86/135272486.db2.gz VEJYUCKSNDTXOY-KGLIPLIRSA-N 1 3 236.403 2.498 20 0 BEADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000262075162 135277944 /nfs/dbraw/zinc/27/79/44/135277944.db2.gz SKYXHOWRNMGDKB-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262149964 135282154 /nfs/dbraw/zinc/28/21/54/135282154.db2.gz ZVCRQDHQDAAVBI-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO NCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000263076571 135331536 /nfs/dbraw/zinc/33/15/36/135331536.db2.gz XDEQIPYWQLXLMH-GFCCVEGCSA-N 1 3 236.384 2.059 20 0 BEADHO NCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000263076571 135331537 /nfs/dbraw/zinc/33/15/37/135331537.db2.gz XDEQIPYWQLXLMH-GFCCVEGCSA-N 1 3 236.384 2.059 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C[C@@H]1C ZINC000082845888 135441275 /nfs/dbraw/zinc/44/12/75/135441275.db2.gz YLIOJJZTNSRMGA-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO [NH3+]C1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000334587370 135759395 /nfs/dbraw/zinc/75/93/95/135759395.db2.gz WTAYFLBGPOKORW-ZFWWWQNUSA-N 1 3 230.355 2.213 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000335356518 136062046 /nfs/dbraw/zinc/06/20/46/136062046.db2.gz DKUGESOVWICPHD-WFASDCNBSA-N 1 3 247.386 2.007 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335356518 136062047 /nfs/dbraw/zinc/06/20/47/136062047.db2.gz DKUGESOVWICPHD-WFASDCNBSA-N 1 3 247.386 2.007 20 0 BEADHO CSC1(C[N@H+](C)CCCN2CCCC2)CC1 ZINC000348333921 136075354 /nfs/dbraw/zinc/07/53/54/136075354.db2.gz CUECQXSKJYNSFL-UHFFFAOYSA-N 1 3 242.432 2.300 20 0 BEADHO CSC1(C[N@@H+](C)CCCN2CCCC2)CC1 ZINC000348333921 136075355 /nfs/dbraw/zinc/07/53/55/136075355.db2.gz CUECQXSKJYNSFL-UHFFFAOYSA-N 1 3 242.432 2.300 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000335363899 136095147 /nfs/dbraw/zinc/09/51/47/136095147.db2.gz UAJUFNFNOKJHHD-DOMZBBRYSA-N 1 3 247.386 2.055 20 0 BEADHO c1cc(N2CCC([NH2+][C@@H]3CC34CC4)CC2)ccn1 ZINC000335548316 136097235 /nfs/dbraw/zinc/09/72/35/136097235.db2.gz ABZISZSJTOYESG-CQSZACIVSA-N 1 3 243.354 2.193 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NC1CC(c2ccccc2)C1 ZINC000335562406 136106785 /nfs/dbraw/zinc/10/67/85/136106785.db2.gz VZMNMPHSWGCCRV-PFSRBDOWSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCNCC1 ZINC000335568956 136108684 /nfs/dbraw/zinc/10/86/84/136108684.db2.gz PCZKTZUIPVQUGA-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(N)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000335598673 136113902 /nfs/dbraw/zinc/11/39/02/136113902.db2.gz LGGCNCWWQSMPNN-ZDUSSCGKSA-N 1 3 233.359 2.260 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122434 397807002 /nfs/dbraw/zinc/80/70/02/397807002.db2.gz REHMAMMHZLHWPE-KBPBESRZSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000388106836 397871471 /nfs/dbraw/zinc/87/14/71/397871471.db2.gz XVXHKKGSJKJTOS-XJFOESAGSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000388106836 397871473 /nfs/dbraw/zinc/87/14/73/397871473.db2.gz XVXHKKGSJKJTOS-XJFOESAGSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000388106836 397871478 /nfs/dbraw/zinc/87/14/78/397871478.db2.gz XVXHKKGSJKJTOS-XJFOESAGSA-N 1 3 222.376 2.249 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000382460033 397951290 /nfs/dbraw/zinc/95/12/90/397951290.db2.gz URADUHFKVCDZGB-VXGBXAGGSA-N 1 3 241.338 2.339 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000302317853 397911152 /nfs/dbraw/zinc/91/11/52/397911152.db2.gz LDBHSTPCGGCNGL-CYBMUJFWSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)CCOCC[NH2+][C@@H]1CCNCC1(C)C ZINC000302317853 397911154 /nfs/dbraw/zinc/91/11/54/397911154.db2.gz LDBHSTPCGGCNGL-CYBMUJFWSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H](CN(C)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000382752859 397971720 /nfs/dbraw/zinc/97/17/20/397971720.db2.gz JDZDRUHLAKLCCE-KBPBESRZSA-N 1 3 232.371 2.331 20 0 BEADHO C[C@@H](CN(C)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000382752864 397972517 /nfs/dbraw/zinc/97/25/17/397972517.db2.gz JDZDRUHLAKLCCE-UONOGXRCSA-N 1 3 232.371 2.331 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414817721 398042343 /nfs/dbraw/zinc/04/23/43/398042343.db2.gz BOJPSUKBSUYLNT-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCCNC1 ZINC000414853993 398062166 /nfs/dbraw/zinc/06/21/66/398062166.db2.gz LSHPHKKEOGPEBM-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000390837728 398107611 /nfs/dbraw/zinc/10/76/11/398107611.db2.gz AOHDNFSZMCTOAU-GARJFASQSA-N 1 3 232.318 2.139 20 0 BEADHO CC[NH2+]CCCN[C@@H]1CCc2ccccc2C1 ZINC000521607539 398097652 /nfs/dbraw/zinc/09/76/52/398097652.db2.gz WYUWZTHRPYANSP-OAHLLOKOSA-N 1 3 232.371 2.133 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000521607539 398097654 /nfs/dbraw/zinc/09/76/54/398097654.db2.gz WYUWZTHRPYANSP-OAHLLOKOSA-N 1 3 232.371 2.133 20 0 BEADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccoc1 ZINC000087290072 322876110 /nfs/dbraw/zinc/87/61/10/322876110.db2.gz KUKMUHACWVBQFI-NSHDSACASA-N 1 3 222.332 2.272 20 0 BEADHO Fc1ccc(F)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000258967281 322880332 /nfs/dbraw/zinc/88/03/32/322880332.db2.gz JZZHYDNWWJNBDC-SNVBAGLBSA-N 1 3 240.297 2.054 20 0 BEADHO Cc1ccc(F)cc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000334845225 487572657 /nfs/dbraw/zinc/57/26/57/487572657.db2.gz KCHXTHNRQCHSET-UONOGXRCSA-N 1 3 236.334 2.494 20 0 BEADHO CC(C)(CCN1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000406018895 487585423 /nfs/dbraw/zinc/58/54/23/487585423.db2.gz CPVFNGYRKKFBDH-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000337348555 167256504 /nfs/dbraw/zinc/25/65/04/167256504.db2.gz ZBPDHKAFFLOSDY-MCIONIFRSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC[C@@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000337348555 167256509 /nfs/dbraw/zinc/25/65/09/167256509.db2.gz ZBPDHKAFFLOSDY-MCIONIFRSA-N 1 3 242.407 2.262 20 0 BEADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)CS1 ZINC000086934484 487590887 /nfs/dbraw/zinc/59/08/87/487590887.db2.gz XAKSNOVJLZIJKD-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000668820996 487596461 /nfs/dbraw/zinc/59/64/61/487596461.db2.gz ZZCGQSMIIVMAOT-SNPRPXQTSA-N 1 3 236.403 2.354 20 0 BEADHO COCC[C@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000531780033 487602196 /nfs/dbraw/zinc/60/21/96/487602196.db2.gz ZEBCUCWWHIPQQA-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO COCC[C@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000531780033 487602198 /nfs/dbraw/zinc/60/21/98/487602198.db2.gz ZEBCUCWWHIPQQA-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@H](CCC1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000398109431 487604360 /nfs/dbraw/zinc/60/43/60/487604360.db2.gz WTLQOFJIVZDXAG-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264459 409561993 /nfs/dbraw/zinc/56/19/93/409561993.db2.gz DHAXZANEWPIOHJ-YPMHNXCESA-N 1 3 246.345 2.353 20 0 BEADHO CC(C)=CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000662286152 409618799 /nfs/dbraw/zinc/61/87/99/409618799.db2.gz OUNAJLCQCYREDN-KBPBESRZSA-N 1 3 222.376 2.404 20 0 BEADHO CC(C)=CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000662286152 409618803 /nfs/dbraw/zinc/61/88/03/409618803.db2.gz OUNAJLCQCYREDN-KBPBESRZSA-N 1 3 222.376 2.404 20 0 BEADHO C[C@@H]1CCCN(Cc2ccon2)[C@@H]1CCC[NH3+] ZINC000662318462 409637009 /nfs/dbraw/zinc/63/70/09/409637009.db2.gz ZVDZIGMEAZHCMI-DGCLKSJQSA-N 1 3 237.347 2.014 20 0 BEADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000662272874 409579137 /nfs/dbraw/zinc/57/91/37/409579137.db2.gz JNKHIPRRSUWAOL-JQWIXIFHSA-N 1 3 234.334 2.339 20 0 BEADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@](C)(CN)C1 ZINC000662272874 409579140 /nfs/dbraw/zinc/57/91/40/409579140.db2.gz JNKHIPRRSUWAOL-JQWIXIFHSA-N 1 3 234.334 2.339 20 0 BEADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277865 409594008 /nfs/dbraw/zinc/59/40/08/409594008.db2.gz SIYZZLOOXXMYCZ-LVQVYYBASA-N 1 3 248.414 2.498 20 0 BEADHO C(CN1CCC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662278451 409596855 /nfs/dbraw/zinc/59/68/55/409596855.db2.gz XRUUNZCOWCLYMD-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703628 410332192 /nfs/dbraw/zinc/33/21/92/410332192.db2.gz JNBRGMNLKISDCI-IAQYHMDHSA-N 1 3 230.355 2.097 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@H+]1Cc1cccc2c1CCC2 ZINC000650703628 410332197 /nfs/dbraw/zinc/33/21/97/410332197.db2.gz JNBRGMNLKISDCI-IAQYHMDHSA-N 1 3 230.355 2.097 20 0 BEADHO C[NH2+]C[C@@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650702789 410333514 /nfs/dbraw/zinc/33/35/14/410333514.db2.gz VAYHJRDYOSELLZ-ZDUSSCGKSA-N 1 3 244.382 2.217 20 0 BEADHO C[C@@H]1CN(Cc2cccc3c2CCC3)CC[C@H]1[NH3+] ZINC000650703247 410334848 /nfs/dbraw/zinc/33/48/48/410334848.db2.gz QYZUBTWLWWUKFV-MLGOLLRUSA-N 1 3 244.382 2.344 20 0 BEADHO CC(C)(N)C[NH2+]Cc1cccc2c1CCC2 ZINC000650703874 410335619 /nfs/dbraw/zinc/33/56/19/410335619.db2.gz VWQRPLOESZSYFE-UHFFFAOYSA-N 1 3 218.344 2.002 20 0 BEADHO C[C@@H]1C[C@H](NCc2ccc(C[NH3+])cc2F)[C@@H]1C ZINC000650755592 410401437 /nfs/dbraw/zinc/40/14/37/410401437.db2.gz IJUDNPHNKKEECP-RULNRJAQSA-N 1 3 236.334 2.419 20 0 BEADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccco1 ZINC000650763854 410414310 /nfs/dbraw/zinc/41/43/10/410414310.db2.gz KSACJQGXJQBLLC-NSHDSACASA-N 1 3 222.332 2.320 20 0 BEADHO CS[C@H](C)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000228900414 410451192 /nfs/dbraw/zinc/45/11/92/410451192.db2.gz HHIFPTUBNVWPMY-WQAKAFBOSA-N 1 3 236.384 2.472 20 0 BEADHO CC(C)C1CC(NCC2([NH3+])CCCC2)C1 ZINC000665246794 410730308 /nfs/dbraw/zinc/73/03/08/410730308.db2.gz NXZZRFADIRJIIX-UHFFFAOYSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@@H]1CN(CCCCCF)CC[C@@H]1[NH3+] ZINC000308916722 410813613 /nfs/dbraw/zinc/81/36/13/410813613.db2.gz INEBBGKPIJBPOK-NEPJUHHUSA-N 1 3 216.344 2.185 20 0 BEADHO CC(C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000053656068 410861121 /nfs/dbraw/zinc/86/11/21/410861121.db2.gz TXODJEAQRABGOV-ZDUSSCGKSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)OC[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374325888 167259087 /nfs/dbraw/zinc/25/90/87/167259087.db2.gz CYTZAOKQVUYKID-HZSPNIEDSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OC[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374325888 167259088 /nfs/dbraw/zinc/25/90/88/167259088.db2.gz CYTZAOKQVUYKID-HZSPNIEDSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000651865996 411147807 /nfs/dbraw/zinc/14/78/07/411147807.db2.gz PSALBMVCDLESEM-ZDUSSCGKSA-N 1 3 244.448 2.307 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@H]1C[C@H]1C ZINC000651865868 411148058 /nfs/dbraw/zinc/14/80/58/411148058.db2.gz KQLCMTSALPHJOK-CHWSQXEVSA-N 1 3 212.381 2.210 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CCSC1 ZINC000651865690 411148085 /nfs/dbraw/zinc/14/80/85/411148085.db2.gz DNCWUENLYACNDP-LBPRGKRZSA-N 1 3 230.421 2.059 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CCSC1 ZINC000651865690 411148086 /nfs/dbraw/zinc/14/80/86/411148086.db2.gz DNCWUENLYACNDP-LBPRGKRZSA-N 1 3 230.421 2.059 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CCSC1 ZINC000651865690 411148087 /nfs/dbraw/zinc/14/80/87/411148087.db2.gz DNCWUENLYACNDP-LBPRGKRZSA-N 1 3 230.421 2.059 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000659989851 411158209 /nfs/dbraw/zinc/15/82/09/411158209.db2.gz UYRFLLUYSIKYGV-AWEZNQCLSA-N 1 3 222.376 2.226 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659989851 411158212 /nfs/dbraw/zinc/15/82/12/411158212.db2.gz UYRFLLUYSIKYGV-AWEZNQCLSA-N 1 3 222.376 2.226 20 0 BEADHO CC[C@@]1(C)CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000652192597 411168860 /nfs/dbraw/zinc/16/88/60/411168860.db2.gz GDEMGRBUIHOPFH-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CCOC1(C)C ZINC000652222384 411175856 /nfs/dbraw/zinc/17/58/56/411175856.db2.gz MUUKBJVALXKKIB-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CCOC1(C)C ZINC000652222384 411175859 /nfs/dbraw/zinc/17/58/59/411175859.db2.gz MUUKBJVALXKKIB-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000652222384 411175860 /nfs/dbraw/zinc/17/58/60/411175860.db2.gz MUUKBJVALXKKIB-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](Cc1ccccn1)N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000656193318 411201072 /nfs/dbraw/zinc/20/10/72/411201072.db2.gz GCGODLMABMJLTI-NFAWXSAZSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C1CNC1 ZINC000656201951 411207471 /nfs/dbraw/zinc/20/74/71/411207471.db2.gz VUEKZNURSFHTJN-NXEZZACHSA-N 1 3 246.345 2.398 20 0 BEADHO CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355013 411215100 /nfs/dbraw/zinc/21/51/00/411215100.db2.gz MRFVCJVZZFABEV-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355013 411215102 /nfs/dbraw/zinc/21/51/02/411215102.db2.gz MRFVCJVZZFABEV-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355013 411215106 /nfs/dbraw/zinc/21/51/06/411215106.db2.gz MRFVCJVZZFABEV-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000310129691 411216513 /nfs/dbraw/zinc/21/65/13/411216513.db2.gz AABBQKYUVTZBIO-YUELXQCFSA-N 1 3 236.403 2.354 20 0 BEADHO Cc1noc(C)c1[C@H](C)N[C@@H](C)CCCC[NH3+] ZINC000310262095 411231461 /nfs/dbraw/zinc/23/14/61/411231461.db2.gz MBBFHFCYCIFFBL-UWVGGRQHSA-N 1 3 239.363 2.460 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CNC1 ZINC000423307028 411238805 /nfs/dbraw/zinc/23/88/05/411238805.db2.gz UZKLMJWBWFGPAN-STQMWFEESA-N 1 3 210.365 2.010 20 0 BEADHO CCC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000309843139 411276569 /nfs/dbraw/zinc/27/65/69/411276569.db2.gz RAMQXRTWIOZHSD-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000051889666 411285243 /nfs/dbraw/zinc/28/52/43/411285243.db2.gz OTRFTXIJRNRZPT-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CC1 ZINC000658236332 411305979 /nfs/dbraw/zinc/30/59/79/411305979.db2.gz INWQLCYMKMXVCQ-QWHCGFSZSA-N 1 3 210.365 2.249 20 0 BEADHO CCC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000393415653 411312088 /nfs/dbraw/zinc/31/20/88/411312088.db2.gz AKFPITFVLRHIPY-WTUNAVPPSA-N 1 3 240.391 2.016 20 0 BEADHO CCC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000393415653 411312089 /nfs/dbraw/zinc/31/20/89/411312089.db2.gz AKFPITFVLRHIPY-WTUNAVPPSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@H](C)SC1)CN(C)C ZINC000655769876 411252244 /nfs/dbraw/zinc/25/22/44/411252244.db2.gz RFKTVQZBYLBNNF-GRYCIOLGSA-N 1 3 230.421 2.058 20 0 BEADHO C[N@H+](C[C@H]1CCOc2ccccc21)CC(C)(C)N ZINC000656784621 411361726 /nfs/dbraw/zinc/36/17/26/411361726.db2.gz FXKGLOYPXMSGLR-GFCCVEGCSA-N 1 3 248.370 2.222 20 0 BEADHO C[N@@H+](C[C@H]1CCOc2ccccc21)CC(C)(C)N ZINC000656784621 411361729 /nfs/dbraw/zinc/36/17/29/411361729.db2.gz FXKGLOYPXMSGLR-GFCCVEGCSA-N 1 3 248.370 2.222 20 0 BEADHO c1ccc(C[C@H]2CCC[C@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000656788168 411367976 /nfs/dbraw/zinc/36/79/76/411367976.db2.gz QKVRXHYFZWJNQZ-OWCLPIDISA-N 1 3 244.382 2.349 20 0 BEADHO C[C@H]1C[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789344 411369606 /nfs/dbraw/zinc/36/96/06/411369606.db2.gz WEHDNRVCCFLPKG-LCGIIJARSA-N 1 3 244.382 2.378 20 0 BEADHO C[NH2+]CCC1CCN([C@H](C)c2ccncc2)CC1 ZINC000070188969 411371487 /nfs/dbraw/zinc/37/14/87/411371487.db2.gz PCQBNLCVZDLKKQ-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO FCC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000656791844 411371779 /nfs/dbraw/zinc/37/17/79/411371779.db2.gz KYDWZDWLNSXXME-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000656791844 411371781 /nfs/dbraw/zinc/37/17/81/411371781.db2.gz KYDWZDWLNSXXME-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000656791844 411371786 /nfs/dbraw/zinc/37/17/86/411371786.db2.gz KYDWZDWLNSXXME-OLZOCXBDSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000227204930 168153349 /nfs/dbraw/zinc/15/33/49/168153349.db2.gz CMCMKDNEIOXJQH-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227204930 168153351 /nfs/dbraw/zinc/15/33/51/168153351.db2.gz CMCMKDNEIOXJQH-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404321812 411390542 /nfs/dbraw/zinc/39/05/42/411390542.db2.gz RFYCWGKIGNNWMX-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404321812 411390545 /nfs/dbraw/zinc/39/05/45/411390545.db2.gz RFYCWGKIGNNWMX-QWHCGFSZSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1CCCN(CCc2cccnc2)[C@H]1CC[NH3+] ZINC000404278380 411387616 /nfs/dbraw/zinc/38/76/16/411387616.db2.gz CFKZIHIIIGFBKE-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1CCC[N@H+](CCc2cccnc2)[C@H]1CCN ZINC000404278380 411387619 /nfs/dbraw/zinc/38/76/19/411387619.db2.gz CFKZIHIIIGFBKE-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1CCC[N@@H+](CCc2cccnc2)[C@H]1CCN ZINC000404278380 411387622 /nfs/dbraw/zinc/38/76/22/411387622.db2.gz CFKZIHIIIGFBKE-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CCC2)[C@H]1CCN ZINC000404392554 411393334 /nfs/dbraw/zinc/39/33/34/411393334.db2.gz YWNJMKYYKWIFNA-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CCC2)[C@H]1CCN ZINC000404392554 411393337 /nfs/dbraw/zinc/39/33/37/411393337.db2.gz YWNJMKYYKWIFNA-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)COCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404406133 411394239 /nfs/dbraw/zinc/39/42/39/411394239.db2.gz UZLWCNFQDNEXNM-ZIAGYGMSSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)[C@@H]1CCN ZINC000404492786 411399639 /nfs/dbraw/zinc/39/96/39/411399639.db2.gz CMFFBBHWJIJEJW-FRRDWIJNSA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)[C@@H]1CCN ZINC000404492786 411399643 /nfs/dbraw/zinc/39/96/43/411399643.db2.gz CMFFBBHWJIJEJW-FRRDWIJNSA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000655738195 411444139 /nfs/dbraw/zinc/44/41/39/411444139.db2.gz JJDJDSLKKHHUNQ-DGCLKSJQSA-N 1 3 240.416 2.122 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000414824672 411448818 /nfs/dbraw/zinc/44/88/18/411448818.db2.gz RFOWLTZWPSEECY-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1cccc(F)c1 ZINC000414824672 411448821 /nfs/dbraw/zinc/44/88/21/411448821.db2.gz RFOWLTZWPSEECY-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO CC(C)CCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414825839 411449972 /nfs/dbraw/zinc/44/99/72/411449972.db2.gz UJEWTUBPAPQBDW-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2CO[C@H](CC)C2)CC1 ZINC000657294023 411450150 /nfs/dbraw/zinc/45/01/50/411450150.db2.gz AHVGVGGPEYOXSV-UONOGXRCSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N)c(C)c1 ZINC000415003694 411482584 /nfs/dbraw/zinc/48/25/84/411482584.db2.gz GKHYTSNAFJDDLL-RYUDHWBXSA-N 1 3 206.333 2.129 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2sccc2C)C1 ZINC000037484199 170008681 /nfs/dbraw/zinc/00/86/81/170008681.db2.gz DJINSBWVKLWPMV-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCSC)C[C@@H]1C ZINC000336652065 170009174 /nfs/dbraw/zinc/00/91/74/170009174.db2.gz WGKPKGOZMWTXRM-NWDGAFQWSA-N 1 3 230.421 2.154 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCSC)C[C@@H]1C ZINC000336652065 170009176 /nfs/dbraw/zinc/00/91/76/170009176.db2.gz WGKPKGOZMWTXRM-NWDGAFQWSA-N 1 3 230.421 2.154 20 0 BEADHO CC[NH2+]CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000131463369 170111674 /nfs/dbraw/zinc/11/16/74/170111674.db2.gz YGRYQHBTCVSWJR-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000034819471 170159574 /nfs/dbraw/zinc/15/95/74/170159574.db2.gz WMOUEPBSGXJGNB-GFCCVEGCSA-N 1 3 236.359 2.298 20 0 BEADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCC2CC2)cc1 ZINC000414899710 411564469 /nfs/dbraw/zinc/56/44/69/411564469.db2.gz VDBUZAPBHQIWFX-GJZGRUSLSA-N 1 3 248.345 2.271 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663346266 411634249 /nfs/dbraw/zinc/63/42/49/411634249.db2.gz RUJBOCFBQVTNAD-TZMCWYRMSA-N 1 3 236.403 2.497 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657734112 411587728 /nfs/dbraw/zinc/58/77/28/411587728.db2.gz FNPDESKYLFJAOM-YHQUGGNUSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657734112 411587729 /nfs/dbraw/zinc/58/77/29/411587729.db2.gz FNPDESKYLFJAOM-YHQUGGNUSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000657734112 411587730 /nfs/dbraw/zinc/58/77/30/411587730.db2.gz FNPDESKYLFJAOM-YHQUGGNUSA-N 1 3 220.360 2.001 20 0 BEADHO c1coc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000657781642 411597263 /nfs/dbraw/zinc/59/72/63/411597263.db2.gz FOAJYVQJXKACJN-UONOGXRCSA-N 1 3 248.370 2.429 20 0 BEADHO c1coc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000657781642 411597264 /nfs/dbraw/zinc/59/72/64/411597264.db2.gz FOAJYVQJXKACJN-UONOGXRCSA-N 1 3 248.370 2.429 20 0 BEADHO FCC1(CF)CC([NH2+]CCCN2CCCC2)C1 ZINC000657823422 411607322 /nfs/dbraw/zinc/60/73/22/411607322.db2.gz FVYFMMZTXRMYMT-UHFFFAOYSA-N 1 3 246.345 2.150 20 0 BEADHO COC1([C@H](C)NCCC[N@H+](C)C(C)C)CCC1 ZINC000657829873 411609098 /nfs/dbraw/zinc/60/90/98/411609098.db2.gz ATTJOQAHOZGALA-ZDUSSCGKSA-N 1 3 242.407 2.264 20 0 BEADHO COC1([C@H](C)NCCC[N@@H+](C)C(C)C)CCC1 ZINC000657829873 411609100 /nfs/dbraw/zinc/60/91/00/411609100.db2.gz ATTJOQAHOZGALA-ZDUSSCGKSA-N 1 3 242.407 2.264 20 0 BEADHO COC1([C@H](C)[NH2+]CCCN(C)C(C)C)CCC1 ZINC000657829873 411609102 /nfs/dbraw/zinc/60/91/02/411609102.db2.gz ATTJOQAHOZGALA-ZDUSSCGKSA-N 1 3 242.407 2.264 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657843493 411610715 /nfs/dbraw/zinc/61/07/15/411610715.db2.gz ZDNNABBLQLFZOC-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)[C@@H]1C ZINC000663497079 411678581 /nfs/dbraw/zinc/67/85/81/411678581.db2.gz BDMVKBJVQPCNAQ-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)[C@@H]1C ZINC000663497079 411678585 /nfs/dbraw/zinc/67/85/85/411678585.db2.gz BDMVKBJVQPCNAQ-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH2+]CC12CC(C1)CN2 ZINC000663497542 411678665 /nfs/dbraw/zinc/67/86/65/411678665.db2.gz HAZCJZYIPLTFGA-ZIHBUVQPSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000663497542 411678674 /nfs/dbraw/zinc/67/86/74/411678674.db2.gz HAZCJZYIPLTFGA-ZIHBUVQPSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)CN3)[C@@H](C)C1 ZINC000663497816 411678867 /nfs/dbraw/zinc/67/88/67/411678867.db2.gz KGKHFYFPOJTHQD-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000663497816 411678872 /nfs/dbraw/zinc/67/88/72/411678872.db2.gz KGKHFYFPOJTHQD-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)[C@H]1C ZINC000663497080 411679161 /nfs/dbraw/zinc/67/91/61/411679161.db2.gz BDMVKBJVQPCNAQ-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)[C@H]1C ZINC000663497080 411679164 /nfs/dbraw/zinc/67/91/64/411679164.db2.gz BDMVKBJVQPCNAQ-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC000663499668 411683212 /nfs/dbraw/zinc/68/32/12/411683212.db2.gz FVPLKIJJXREBHR-DCBWTQNWSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000663499668 411683216 /nfs/dbraw/zinc/68/32/16/411683216.db2.gz FVPLKIJJXREBHR-DCBWTQNWSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1cccc2c1CCC[C@H]2NCCC[NH3+] ZINC000663504533 411687081 /nfs/dbraw/zinc/68/70/81/411687081.db2.gz ZQTQQFUPHQDRFJ-CQSZACIVSA-N 1 3 218.344 2.311 20 0 BEADHO CC[C@@H]1CCC[C@@H](CN[C@H](C)C[NH2+]C)C1 ZINC000663509429 411692142 /nfs/dbraw/zinc/69/21/42/411692142.db2.gz KJZZZCXZHMZLNL-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@H](C)NC[C@H](C)CCc1ccccc1 ZINC000663510013 411693158 /nfs/dbraw/zinc/69/31/58/411693158.db2.gz NRQSUPVOZHSFNO-KGLIPLIRSA-N 1 3 234.387 2.453 20 0 BEADHO C[C@H](CCN1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970399 411927130 /nfs/dbraw/zinc/92/71/30/411927130.db2.gz LFXKSGXKZNGCPF-OXGONZEZSA-N 1 3 248.414 2.449 20 0 BEADHO C[C@H](CCN1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661970399 411927133 /nfs/dbraw/zinc/92/71/33/411927133.db2.gz LFXKSGXKZNGCPF-OXGONZEZSA-N 1 3 248.414 2.449 20 0 BEADHO C(CC1CCC1)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662265817 412059073 /nfs/dbraw/zinc/05/90/73/412059073.db2.gz IYZJPGPGMXYIET-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCC=C(C)C)C1 ZINC000662238830 412034940 /nfs/dbraw/zinc/03/49/40/412034940.db2.gz XXMJTTROLVDWET-CYBMUJFWSA-N 1 3 210.365 2.274 20 0 BEADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[NH2+]C)C1 ZINC000662244108 412039458 /nfs/dbraw/zinc/03/94/58/412039458.db2.gz BUEQYIWFVWSILS-WDEREUQCSA-N 1 3 234.334 2.209 20 0 BEADHO CC(C)[C@@H](N)CC[N@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248012 412045894 /nfs/dbraw/zinc/04/58/94/412045894.db2.gz QWTGXOVNRDPFHI-CRWXNKLISA-N 1 3 224.392 2.338 20 0 BEADHO CC(C)[C@@H](N)CC[N@@H+](C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248012 412045896 /nfs/dbraw/zinc/04/58/96/412045896.db2.gz QWTGXOVNRDPFHI-CRWXNKLISA-N 1 3 224.392 2.338 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662248012 412045901 /nfs/dbraw/zinc/04/59/01/412045901.db2.gz QWTGXOVNRDPFHI-CRWXNKLISA-N 1 3 224.392 2.338 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000662263449 412056095 /nfs/dbraw/zinc/05/60/95/412056095.db2.gz BHSBLUQHHPYEKX-HBNTYKKESA-N 1 3 234.334 2.337 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000662263449 412056099 /nfs/dbraw/zinc/05/60/99/412056099.db2.gz BHSBLUQHHPYEKX-HBNTYKKESA-N 1 3 234.334 2.337 20 0 BEADHO C(CC1CCC1)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000662265813 412057901 /nfs/dbraw/zinc/05/79/01/412057901.db2.gz IYZJPGPGMXYIET-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN(CC)CC ZINC000336747098 171042326 /nfs/dbraw/zinc/04/23/26/171042326.db2.gz BTAQXWULSKWFFV-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO [NH3+]CC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000662271444 412062496 /nfs/dbraw/zinc/06/24/96/412062496.db2.gz GWDOYZVKHRCQBS-LLVKDONJSA-N 1 3 249.358 2.113 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CC=CC2)CC[C@@H]1N ZINC000662270851 412063222 /nfs/dbraw/zinc/06/32/22/412063222.db2.gz PZZXQZTUMOPXIU-OLZOCXBDSA-N 1 3 208.349 2.012 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1N ZINC000662270851 412063225 /nfs/dbraw/zinc/06/32/25/412063225.db2.gz PZZXQZTUMOPXIU-OLZOCXBDSA-N 1 3 208.349 2.012 20 0 BEADHO CO[C@H](C[N@@H+]1CCCC[C@H]1CCN)C1CCC1 ZINC000662272588 412063957 /nfs/dbraw/zinc/06/39/57/412063957.db2.gz GVECBOWEVMPQIZ-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO CO[C@H](C[N@H+]1CCCC[C@H]1CCN)C1CCC1 ZINC000662272588 412063960 /nfs/dbraw/zinc/06/39/60/412063960.db2.gz GVECBOWEVMPQIZ-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335619802 171282524 /nfs/dbraw/zinc/28/25/24/171282524.db2.gz NASYOPGEMZCVST-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335619802 171282525 /nfs/dbraw/zinc/28/25/25/171282525.db2.gz NASYOPGEMZCVST-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322714 412101586 /nfs/dbraw/zinc/10/15/86/412101586.db2.gz ILIBASPUKWGJOT-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322518 412101616 /nfs/dbraw/zinc/10/16/16/412101616.db2.gz ILIBASPUKWGJOT-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@H](C)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000665238194 412178270 /nfs/dbraw/zinc/17/82/70/412178270.db2.gz SVKKCHKVNNVKOY-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000665242748 412187601 /nfs/dbraw/zinc/18/76/01/412187601.db2.gz JHDLNWFINJHWCL-XQQFMLRXSA-N 1 3 210.365 2.153 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000665264002 412206951 /nfs/dbraw/zinc/20/69/51/412206951.db2.gz ZZVJCLQLDTUAFN-BJJPWKGXSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])O1 ZINC000665264651 412207341 /nfs/dbraw/zinc/20/73/41/412207341.db2.gz FLQUQBLQPUOMLF-MQYQWHSLSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263901 412207594 /nfs/dbraw/zinc/20/75/94/412207594.db2.gz XSTVZKVYYSQWCO-MRLBHPIUSA-N 1 3 236.403 2.400 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263900 412207942 /nfs/dbraw/zinc/20/79/42/412207942.db2.gz XSTVZKVYYSQWCO-FQKPHLNHSA-N 1 3 236.403 2.400 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1(F)F ZINC000665266820 412210439 /nfs/dbraw/zinc/21/04/39/412210439.db2.gz KIWVYMVKOIAFAC-AXFHLTTASA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1C(C)(C)C1(F)F ZINC000665273815 412215595 /nfs/dbraw/zinc/21/55/95/412215595.db2.gz DRXQSZFSIMHKJJ-OUAUKWLOSA-N 1 3 246.345 2.255 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000665273815 412215598 /nfs/dbraw/zinc/21/55/98/412215598.db2.gz DRXQSZFSIMHKJJ-OUAUKWLOSA-N 1 3 246.345 2.255 20 0 BEADHO C[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccn1 ZINC000665231995 412168493 /nfs/dbraw/zinc/16/84/93/412168493.db2.gz CUYRDYAHPXDTEG-VNHYZAJKSA-N 1 3 247.386 2.435 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1=CCCC1 ZINC000665273873 412216116 /nfs/dbraw/zinc/21/61/16/412216116.db2.gz FZLFKNMVHLDKMU-YPMHNXCESA-N 1 3 208.349 2.074 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000665273873 412216119 /nfs/dbraw/zinc/21/61/19/412216119.db2.gz FZLFKNMVHLDKMU-YPMHNXCESA-N 1 3 208.349 2.074 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCC1 ZINC000665274167 412216688 /nfs/dbraw/zinc/21/66/88/412216688.db2.gz LHHOXQVAEMYHHW-QWHCGFSZSA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCC1=CCCC1 ZINC000665274167 412216691 /nfs/dbraw/zinc/21/66/91/412216691.db2.gz LHHOXQVAEMYHHW-QWHCGFSZSA-N 1 3 208.349 2.204 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1(F)F ZINC000665274100 412216890 /nfs/dbraw/zinc/21/68/90/412216890.db2.gz JMOVZXYTSIZFRJ-VWYCJHECSA-N 1 3 246.345 2.385 20 0 BEADHO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C1CNC1 ZINC000665274646 412217476 /nfs/dbraw/zinc/21/74/76/412217476.db2.gz VCXNTVYCGVGDMI-IXYVEGFRSA-N 1 3 228.355 2.101 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1(F)F ZINC000665274099 412218052 /nfs/dbraw/zinc/21/80/52/412218052.db2.gz JMOVZXYTSIZFRJ-MXWKQRLJSA-N 1 3 246.345 2.385 20 0 BEADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000665275763 412219463 /nfs/dbraw/zinc/21/94/63/412219463.db2.gz RCBRABSKMWWZFP-BFHYXJOUSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665276791 412219692 /nfs/dbraw/zinc/21/96/92/412219692.db2.gz MWHAHHMMMUOZMZ-IYXRBSQSSA-N 1 3 222.376 2.463 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279531 412220918 /nfs/dbraw/zinc/22/09/18/412220918.db2.gz FSKGIXKNCCSKMZ-BEVNXUHPSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279646 412222536 /nfs/dbraw/zinc/22/25/36/412222536.db2.gz IJEVFMARUQCIJN-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000665279646 412222540 /nfs/dbraw/zinc/22/25/40/412222540.db2.gz IJEVFMARUQCIJN-IGYKFCIQSA-N 1 3 222.376 2.153 20 0 BEADHO FCCC[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280059 412224302 /nfs/dbraw/zinc/22/43/02/412224302.db2.gz SBEFKJDMPIUPNG-CEUNDQEZSA-N 1 3 240.366 2.246 20 0 BEADHO FCCC[C@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280059 412224305 /nfs/dbraw/zinc/22/43/05/412224305.db2.gz SBEFKJDMPIUPNG-CEUNDQEZSA-N 1 3 240.366 2.246 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000665281498 412225966 /nfs/dbraw/zinc/22/59/66/412225966.db2.gz FHILEGOUZKWITE-WCQYABFASA-N 1 3 244.448 2.481 20 0 BEADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000665284039 412228782 /nfs/dbraw/zinc/22/87/82/412228782.db2.gz ZKGQUJILDRGBID-OUCADQQQSA-N 1 3 242.407 2.297 20 0 BEADHO COc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1C ZINC000665294828 412241549 /nfs/dbraw/zinc/24/15/49/412241549.db2.gz XIGIGBULIMNYGX-GHMZBOCLSA-N 1 3 236.359 2.219 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H](C)C1C(C)(C)C1(C)C ZINC000665296708 412244986 /nfs/dbraw/zinc/24/49/86/412244986.db2.gz WZMOHBPTTIPVBM-UWVGGRQHSA-N 1 3 212.381 2.255 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCC12CCCC2 ZINC000665297306 412245224 /nfs/dbraw/zinc/24/52/24/412245224.db2.gz CXDBMLQYHYSNBZ-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@H](C)[C@@H](C)N[C@H](C)C[NH2+]C ZINC000665298324 412246165 /nfs/dbraw/zinc/24/61/65/412246165.db2.gz UWDGMWCUQCGJMZ-QJPTWQEYSA-N 1 3 200.370 2.399 20 0 BEADHO Cn1cccc1CN1CCCC12CC[NH+](C)CC2 ZINC000336068395 173002823 /nfs/dbraw/zinc/00/28/23/173002823.db2.gz CTDSABNPCUOCMX-UHFFFAOYSA-N 1 3 247.386 2.085 20 0 BEADHO Cn1cccc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000336068395 173002825 /nfs/dbraw/zinc/00/28/25/173002825.db2.gz CTDSABNPCUOCMX-UHFFFAOYSA-N 1 3 247.386 2.085 20 0 BEADHO Cn1cccc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000336068395 173002827 /nfs/dbraw/zinc/00/28/27/173002827.db2.gz CTDSABNPCUOCMX-UHFFFAOYSA-N 1 3 247.386 2.085 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000336585048 173035693 /nfs/dbraw/zinc/03/56/93/173035693.db2.gz BIGZDHSREYJGTI-ZIAGYGMSSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000336585048 173035695 /nfs/dbraw/zinc/03/56/95/173035695.db2.gz BIGZDHSREYJGTI-ZIAGYGMSSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000044534710 173041242 /nfs/dbraw/zinc/04/12/42/173041242.db2.gz VGXXQNXKFBSYFR-GFCCVEGCSA-N 1 3 236.334 2.257 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000120117495 173060506 /nfs/dbraw/zinc/06/05/06/173060506.db2.gz PYGVYQQLMWTVOK-JSGCOSHPSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000120117495 173060507 /nfs/dbraw/zinc/06/05/07/173060507.db2.gz PYGVYQQLMWTVOK-JSGCOSHPSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccco2)[C@H]2CCC[C@@H]21 ZINC000353432130 173153406 /nfs/dbraw/zinc/15/34/06/173153406.db2.gz AQNCMAZFNAOPQE-ILXRZTDVSA-N 1 3 248.370 2.285 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccco2)[C@H]2CCC[C@@H]21 ZINC000353432130 173153408 /nfs/dbraw/zinc/15/34/08/173153408.db2.gz AQNCMAZFNAOPQE-ILXRZTDVSA-N 1 3 248.370 2.285 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@@H]21 ZINC000340525606 173154104 /nfs/dbraw/zinc/15/41/04/173154104.db2.gz WVMNOXKPDVJCNZ-HTOAHKCRSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@@H]21 ZINC000340525606 173154106 /nfs/dbraw/zinc/15/41/06/173154106.db2.gz WVMNOXKPDVJCNZ-HTOAHKCRSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@H]2CCC[C@@H]21 ZINC000340525606 173154107 /nfs/dbraw/zinc/15/41/07/173154107.db2.gz WVMNOXKPDVJCNZ-HTOAHKCRSA-N 1 3 240.366 2.339 20 0 BEADHO C[NH2+]CC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000063158784 173338572 /nfs/dbraw/zinc/33/85/72/173338572.db2.gz UZYXYCNZSDXXSM-LBPRGKRZSA-N 1 3 233.359 2.074 20 0 BEADHO C[NH2+]CCC1CCN(Cc2ccc(C)nc2)CC1 ZINC000228858976 173342985 /nfs/dbraw/zinc/34/29/85/173342985.db2.gz SIMOUOWYDWOWNP-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C[NH2+]C[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC000071142632 173370294 /nfs/dbraw/zinc/37/02/94/173370294.db2.gz XEUIYDIGGZWCKR-AWEZNQCLSA-N 1 3 232.371 2.345 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000251672424 173371090 /nfs/dbraw/zinc/37/10/90/173371090.db2.gz GNDJYIUWQFTCNE-IHRRRGAJSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000251672424 173371092 /nfs/dbraw/zinc/37/10/92/173371092.db2.gz GNDJYIUWQFTCNE-IHRRRGAJSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC000300967070 173379635 /nfs/dbraw/zinc/37/96/35/173379635.db2.gz RPZLXPUGISVTFU-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@H]1CCC[N@H+]1C[C@H](C)CC(C)C ZINC000300967070 173379637 /nfs/dbraw/zinc/37/96/37/173379637.db2.gz RPZLXPUGISVTFU-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC000300886143 173380969 /nfs/dbraw/zinc/38/09/69/173380969.db2.gz PDQIULHKIQIYCF-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCCC(C)(C)C)C1 ZINC000300886143 173380967 /nfs/dbraw/zinc/38/09/67/173380967.db2.gz PDQIULHKIQIYCF-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC000300886143 173380968 /nfs/dbraw/zinc/38/09/68/173380968.db2.gz PDQIULHKIQIYCF-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000300965181 173382133 /nfs/dbraw/zinc/38/21/33/173382133.db2.gz RLIJABTYJGVGLW-CHWSQXEVSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC000300965181 173382135 /nfs/dbraw/zinc/38/21/35/173382135.db2.gz RLIJABTYJGVGLW-CHWSQXEVSA-N 1 3 212.381 2.210 20 0 BEADHO C[NH2+]C[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000071142562 173382306 /nfs/dbraw/zinc/38/23/06/173382306.db2.gz GCKDVGNWRPGYLR-ZIAGYGMSSA-N 1 3 232.371 2.331 20 0 BEADHO COCCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000234682677 174143466 /nfs/dbraw/zinc/14/34/66/174143466.db2.gz AGCYRJWHSURBTJ-QWHCGFSZSA-N 1 3 242.407 2.156 20 0 BEADHO COCCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000234690685 174143867 /nfs/dbraw/zinc/14/38/67/174143867.db2.gz AGCYRJWHSURBTJ-STQMWFEESA-N 1 3 242.407 2.156 20 0 BEADHO COCCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000234690417 174144003 /nfs/dbraw/zinc/14/40/03/174144003.db2.gz AGCYRJWHSURBTJ-OLZOCXBDSA-N 1 3 242.407 2.156 20 0 BEADHO COCCCCC[N@@H+]1CCCC[C@H]1CCN ZINC000352496517 174178242 /nfs/dbraw/zinc/17/82/42/174178242.db2.gz WWYNKQLWEPMRGG-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO COCCCCC[N@H+]1CCCC[C@H]1CCN ZINC000352496517 174178245 /nfs/dbraw/zinc/17/82/45/174178245.db2.gz WWYNKQLWEPMRGG-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO COCCCCCN1CCCC[C@H]1CC[NH3+] ZINC000352496517 174178246 /nfs/dbraw/zinc/17/82/46/174178246.db2.gz WWYNKQLWEPMRGG-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO COCCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340179965 174339254 /nfs/dbraw/zinc/33/92/54/174339254.db2.gz ZSZVWMSKYUHTIH-CABCVRRESA-N 1 3 248.370 2.058 20 0 BEADHO COCCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340179965 174339256 /nfs/dbraw/zinc/33/92/56/174339256.db2.gz ZSZVWMSKYUHTIH-CABCVRRESA-N 1 3 248.370 2.058 20 0 BEADHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093209642 175109845 /nfs/dbraw/zinc/10/98/45/175109845.db2.gz DIOOHLZCSWWPID-CHWSQXEVSA-N 1 3 234.343 2.055 20 0 BEADHO COc1ccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000090339650 175190203 /nfs/dbraw/zinc/19/02/03/175190203.db2.gz IVPAUBUHIADKKF-LNSITVRQSA-N 1 3 248.370 2.473 20 0 BEADHO COc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214542 175268237 /nfs/dbraw/zinc/26/82/37/175268237.db2.gz SSJFJUWKCOAKFB-STQMWFEESA-N 1 3 234.343 2.055 20 0 BEADHO COc1cccc([C@H](C)[NH2+]CC2(N)CCC2)c1 ZINC000342125504 175292313 /nfs/dbraw/zinc/29/23/13/175292313.db2.gz IWXWADPGSGIJQN-NSHDSACASA-N 1 3 234.343 2.227 20 0 BEADHO COc1cccc([C@H](C)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163200163 175292321 /nfs/dbraw/zinc/29/23/21/175292321.db2.gz HLUMIFWZKIFFGL-DYEKYZERSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000556932267 322931405 /nfs/dbraw/zinc/93/14/05/322931405.db2.gz NEOSOOUHKHOTIB-NEPJUHHUSA-N 1 3 212.381 2.387 20 0 BEADHO C[C@@H](c1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000114410053 176021289 /nfs/dbraw/zinc/02/12/89/176021289.db2.gz NVTLGACRAYICGY-STQMWFEESA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2cccnc2)CC1 ZINC000110643851 176028907 /nfs/dbraw/zinc/02/89/07/176028907.db2.gz CBINASZVGXFCBM-NEPJUHHUSA-N 1 3 233.359 2.202 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335604331 176130928 /nfs/dbraw/zinc/13/09/28/176130928.db2.gz WYQKMICPHZGGRJ-YPMHNXCESA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000227573899 176137477 /nfs/dbraw/zinc/13/74/77/176137477.db2.gz KXQMSPQWDLBSJD-AGIUHOORSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](CN)C2)C1 ZINC000227573899 176137480 /nfs/dbraw/zinc/13/74/80/176137480.db2.gz KXQMSPQWDLBSJD-AGIUHOORSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCNC2)[C@@H]1C ZINC000251591288 176144488 /nfs/dbraw/zinc/14/44/88/176144488.db2.gz BIEZVYUKOWKDJY-MQYQWHSLSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000129451757 176233436 /nfs/dbraw/zinc/23/34/36/176233436.db2.gz GKFHYUGQQKIDFD-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccco1 ZINC000036908627 176278312 /nfs/dbraw/zinc/27/83/12/176278312.db2.gz WUWZQZXYEXMLPH-BZPMIXESSA-N 1 3 236.359 2.140 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccco1 ZINC000036908627 176278313 /nfs/dbraw/zinc/27/83/13/176278313.db2.gz WUWZQZXYEXMLPH-BZPMIXESSA-N 1 3 236.359 2.140 20 0 BEADHO CCCC[C@H](C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000383513582 487633666 /nfs/dbraw/zinc/63/36/66/487633666.db2.gz HDZSMWPBCNYFDS-UONOGXRCSA-N 1 3 244.423 2.198 20 0 BEADHO CCCC[C@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000383513582 487633667 /nfs/dbraw/zinc/63/36/67/487633667.db2.gz HDZSMWPBCNYFDS-UONOGXRCSA-N 1 3 244.423 2.198 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+](CCCN)CC1CCCC1 ZINC000352539482 176391649 /nfs/dbraw/zinc/39/16/49/176391649.db2.gz BCUPORVVHDLWTI-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+](CCCN)CC1CCCC1 ZINC000352539482 176391651 /nfs/dbraw/zinc/39/16/51/176391651.db2.gz BCUPORVVHDLWTI-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](C[NH+]1CCC(N)CC1)c1ccccc1 ZINC000040240923 176664556 /nfs/dbraw/zinc/66/45/56/176664556.db2.gz SKVZZWBTPAMAJC-GFCCVEGCSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335604329 177141972 /nfs/dbraw/zinc/14/19/72/177141972.db2.gz WYQKMICPHZGGRJ-WCQYABFASA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H]1[C@@H](C)C[N@@H+]1CCCN1CCCCC1 ZINC000339583052 177249274 /nfs/dbraw/zinc/24/92/74/177249274.db2.gz RDMCLDLQNBUMSV-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1[C@@H](C)C[N@H+]1CCCN1CCCCC1 ZINC000339583052 177249276 /nfs/dbraw/zinc/24/92/76/177249276.db2.gz RDMCLDLQNBUMSV-QWHCGFSZSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844217 177327752 /nfs/dbraw/zinc/32/77/52/177327752.db2.gz RQCUTYOOVKBWLN-ZFWWWQNUSA-N 1 3 247.386 2.039 20 0 BEADHO C[C@H]1C[C@@H](N(C)CCc2cccnc2)CC[N@H+]1C ZINC000172844217 177327754 /nfs/dbraw/zinc/32/77/54/177327754.db2.gz RQCUTYOOVKBWLN-ZFWWWQNUSA-N 1 3 247.386 2.039 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC1CC(F)(F)C1 ZINC000336781419 177330948 /nfs/dbraw/zinc/33/09/48/177330948.db2.gz UPZKXKVCIPUXBL-WCABBAIRSA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC(F)(F)C1 ZINC000336781419 177330949 /nfs/dbraw/zinc/33/09/49/177330949.db2.gz UPZKXKVCIPUXBL-WCABBAIRSA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2)C[C@@H]1C ZINC000235331411 177331722 /nfs/dbraw/zinc/33/17/22/177331722.db2.gz WFELSUDSWVFUSN-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)CN1CCCCC1 ZINC000309740512 177345615 /nfs/dbraw/zinc/34/56/15/177345615.db2.gz HPMAKNMFHDYIJA-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000340173136 177345669 /nfs/dbraw/zinc/34/56/69/177345669.db2.gz DHFCSXUJOLOFSA-SWLSCSKDSA-N 1 3 232.371 2.494 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@@H+]1CCC1CCCC1 ZINC000049713044 177365152 /nfs/dbraw/zinc/36/51/52/177365152.db2.gz OCGLWQCRBLRXMP-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@H+]1CCC1CCCC1 ZINC000049713044 177365154 /nfs/dbraw/zinc/36/51/54/177365154.db2.gz OCGLWQCRBLRXMP-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CCC1CCCC1 ZINC000049713044 177365155 /nfs/dbraw/zinc/36/51/55/177365155.db2.gz OCGLWQCRBLRXMP-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H](NCc2ccccc2)CC[N@@H+]1C ZINC000073655697 177370626 /nfs/dbraw/zinc/37/06/26/177370626.db2.gz KZTLAVPYGULHBC-GXTWGEPZSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@H]1C[C@H](NCc2ccccc2)CC[N@H+]1C ZINC000073655697 177370629 /nfs/dbraw/zinc/37/06/29/177370629.db2.gz KZTLAVPYGULHBC-GXTWGEPZSA-N 1 3 218.344 2.259 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000669680749 487644058 /nfs/dbraw/zinc/64/40/58/487644058.db2.gz HYWARZBBPNYRDY-ZIAGYGMSSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000669680749 487644067 /nfs/dbraw/zinc/64/40/67/487644067.db2.gz HYWARZBBPNYRDY-ZIAGYGMSSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000669680749 487644077 /nfs/dbraw/zinc/64/40/77/487644077.db2.gz HYWARZBBPNYRDY-ZIAGYGMSSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000488352454 225382736 /nfs/dbraw/zinc/38/27/36/225382736.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352454 225382741 /nfs/dbraw/zinc/38/27/41/225382741.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000488352454 225382744 /nfs/dbraw/zinc/38/27/44/225382744.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000488352454 225382748 /nfs/dbraw/zinc/38/27/48/225382748.db2.gz NVTPFPNJCWPNTO-SNPRPXQTSA-N 1 3 236.403 2.306 20 0 BEADHO Cc1cccc([C@@H](C)NC[C@H](C)C[NH3+])c1 ZINC000309007999 229297877 /nfs/dbraw/zinc/29/78/77/229297877.db2.gz VKAHROZEMLYNSW-VXGBXAGGSA-N 1 3 206.333 2.240 20 0 BEADHO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000309120136 229360676 /nfs/dbraw/zinc/36/06/76/229360676.db2.gz SVHSMZDENDYQCY-UTUOFQBUSA-N 1 3 206.333 2.381 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)C(C)(C)C ZINC000162967762 487675537 /nfs/dbraw/zinc/67/55/37/487675537.db2.gz VLHMVHRYGDRJCN-UTUOFQBUSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)C(C)(C)C ZINC000162967762 487675540 /nfs/dbraw/zinc/67/55/40/487675540.db2.gz VLHMVHRYGDRJCN-UTUOFQBUSA-N 1 3 212.381 2.338 20 0 BEADHO CNC[C@H](C)C[NH2+]CC1CCCCCC1 ZINC000414838094 487693243 /nfs/dbraw/zinc/69/32/43/487693243.db2.gz KUBAAHHJLKPTTM-LBPRGKRZSA-N 1 3 212.381 2.402 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000414851159 487710301 /nfs/dbraw/zinc/71/03/01/487710301.db2.gz OQANYDUFWXNJIL-AGIUHOORSA-N 1 3 212.381 2.258 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CC1(C)CCC1 ZINC000336713528 487719807 /nfs/dbraw/zinc/71/98/07/487719807.db2.gz VOGLLDVPUGCKLD-GFCCVEGCSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@H](N)CC[N@H+](C)CC1(C)CCC1 ZINC000336713528 487719810 /nfs/dbraw/zinc/71/98/10/487719810.db2.gz VOGLLDVPUGCKLD-GFCCVEGCSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@H](N)CC[N@@H+](C)CC1(C)CCC1 ZINC000336713528 487719815 /nfs/dbraw/zinc/71/98/15/487719815.db2.gz VOGLLDVPUGCKLD-GFCCVEGCSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@@H](C)CN ZINC000414875188 487733889 /nfs/dbraw/zinc/73/38/89/487733889.db2.gz JLBDGTIVOOZSOP-NWDGAFQWSA-N 1 3 238.350 2.331 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCC1CCCC1 ZINC000049713043 487777214 /nfs/dbraw/zinc/77/72/14/487777214.db2.gz OCGLWQCRBLRXMP-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@H+]1CCC1CCCC1 ZINC000049713043 487777216 /nfs/dbraw/zinc/77/72/16/487777216.db2.gz OCGLWQCRBLRXMP-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC1CCCC1 ZINC000049713043 487777220 /nfs/dbraw/zinc/77/72/20/487777220.db2.gz OCGLWQCRBLRXMP-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO Cc1ccccc1C[NH2+]C[C@@H](N)CC(C)C ZINC000415088368 487808944 /nfs/dbraw/zinc/80/89/44/487808944.db2.gz LWOSXYWFVRNIBQ-AWEZNQCLSA-N 1 3 220.360 2.458 20 0 BEADHO [NH3+]CCCNC1(c2ccccc2)CCCC1 ZINC000414707509 487818641 /nfs/dbraw/zinc/81/86/41/487818641.db2.gz MQLJZYGCHRWNBV-UHFFFAOYSA-N 1 3 218.344 2.394 20 0 BEADHO Cc1cc(C)cc([C@@H]2CCN(CCC[NH3+])C2)c1 ZINC000414716677 487819036 /nfs/dbraw/zinc/81/90/36/487819036.db2.gz SNFQKYTYAWCTGM-CQSZACIVSA-N 1 3 232.371 2.442 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000252910326 487837558 /nfs/dbraw/zinc/83/75/58/487837558.db2.gz CQAWMUIBBGEBEE-WXHSDQCUSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](CNCCC[NH3+])c1ccc(F)cc1F ZINC000415099671 487837096 /nfs/dbraw/zinc/83/70/96/487837096.db2.gz GYIATNFOQMWSQW-SECBINFHSA-N 1 3 228.286 2.007 20 0 BEADHO C[C@H](C[NH2+]CCCN)c1ccc(F)cc1F ZINC000415099671 487837100 /nfs/dbraw/zinc/83/71/00/487837100.db2.gz GYIATNFOQMWSQW-SECBINFHSA-N 1 3 228.286 2.007 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCNC[C@H]2C)s1 ZINC000309331796 487867486 /nfs/dbraw/zinc/86/74/86/487867486.db2.gz IYPGJGPJIAKXAB-MFKMUULPSA-N 1 3 238.400 2.398 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@H]1CCOc2ccccc21 ZINC000666741418 487869698 /nfs/dbraw/zinc/86/96/98/487869698.db2.gz QSSFMGHPVYOZOY-TZMCWYRMSA-N 1 3 248.370 2.126 20 0 BEADHO FC(F)[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000682029450 487881036 /nfs/dbraw/zinc/88/10/36/487881036.db2.gz OENUSFAKYXZJDV-LBPRGKRZSA-N 1 3 246.345 2.449 20 0 BEADHO FC(F)[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000682029450 487881040 /nfs/dbraw/zinc/88/10/40/487881040.db2.gz OENUSFAKYXZJDV-LBPRGKRZSA-N 1 3 246.345 2.449 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000666993715 487901958 /nfs/dbraw/zinc/90/19/58/487901958.db2.gz GCICGJIIJAOKGT-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]1CCCN(Cc2cccc(O)c2)[C@H]1CC[NH3+] ZINC000404294064 487917147 /nfs/dbraw/zinc/91/71/47/487917147.db2.gz MROAIQNFCHFBPZ-WFASDCNBSA-N 1 3 248.370 2.342 20 0 BEADHO CC(C)(C)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666998368 487924689 /nfs/dbraw/zinc/92/46/89/487924689.db2.gz PSLOJAMSIMGNOT-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995572 487924817 /nfs/dbraw/zinc/92/48/17/487924817.db2.gz SHPPVWJEGYJTOH-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO c1ccc(C[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666999422 487926145 /nfs/dbraw/zinc/92/61/45/487926145.db2.gz HFBOOMABFVWBGO-AWEZNQCLSA-N 1 3 230.355 2.451 20 0 BEADHO C(C1CCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000083839908 487942045 /nfs/dbraw/zinc/94/20/45/487942045.db2.gz YMTNIUSCZAGENU-KGLIPLIRSA-N 1 3 222.376 2.251 20 0 BEADHO COCC[NH2+]C1CCN(CCC(C)(C)C)CC1 ZINC000566800106 323015554 /nfs/dbraw/zinc/01/55/54/323015554.db2.gz PTHZWPMWLJJUOM-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCCOc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000562748360 323029757 /nfs/dbraw/zinc/02/97/57/323029757.db2.gz JKTBXEZATYBDCJ-NWDGAFQWSA-N 1 3 236.359 2.301 20 0 BEADHO Cc1nc([C@@H](C)NCC2CC[NH2+]CC2)cs1 ZINC000567638908 323034305 /nfs/dbraw/zinc/03/43/05/323034305.db2.gz VEDOBXJFZDXZME-SECBINFHSA-N 1 3 239.388 2.102 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCSC2)C[C@@H]1CN ZINC000397252917 323043073 /nfs/dbraw/zinc/04/30/73/323043073.db2.gz DHOZJYSHRXSKHC-XQHKEYJVSA-N 1 3 242.432 2.045 20 0 BEADHO CCc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000570594127 323064362 /nfs/dbraw/zinc/06/43/62/323064362.db2.gz UZKOOSLPEQYRPG-OAHLLOKOSA-N 1 3 245.370 2.319 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1ccnc2ccccc12 ZINC000571504662 323146034 /nfs/dbraw/zinc/14/60/34/323146034.db2.gz VIARQNVKJUNYCH-AWEZNQCLSA-N 1 3 243.354 2.308 20 0 BEADHO Cc1ccc(CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000531940793 323156032 /nfs/dbraw/zinc/15/60/32/323156032.db2.gz MRBLERYZRSCBKY-DGCLKSJQSA-N 1 3 236.359 2.203 20 0 BEADHO Cc1ccc(CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000531940793 323156033 /nfs/dbraw/zinc/15/60/33/323156033.db2.gz MRBLERYZRSCBKY-DGCLKSJQSA-N 1 3 236.359 2.203 20 0 BEADHO C[C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530179170 323205446 /nfs/dbraw/zinc/20/54/46/323205446.db2.gz UVYVXXPSBXXJJZ-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530179170 323205447 /nfs/dbraw/zinc/20/54/47/323205447.db2.gz UVYVXXPSBXXJJZ-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000122589024 324050015 /nfs/dbraw/zinc/05/00/15/324050015.db2.gz JICUYKZJQAUSGO-AVGNSLFASA-N 1 3 212.381 2.493 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000566630584 326070618 /nfs/dbraw/zinc/07/06/18/326070618.db2.gz XLBWRYQSSDPHKZ-QNWHQSFQSA-N 1 3 208.349 2.035 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000566630585 326070644 /nfs/dbraw/zinc/07/06/44/326070644.db2.gz XLBWRYQSSDPHKZ-ZDEQEGDKSA-N 1 3 208.349 2.035 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000566725668 326076883 /nfs/dbraw/zinc/07/68/83/326076883.db2.gz FWVDUDDKRKPWIA-AWEZNQCLSA-N 1 3 241.338 2.062 20 0 BEADHO CCc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000567041235 326105010 /nfs/dbraw/zinc/10/50/10/326105010.db2.gz FZVOZVSGGIIDSC-NEPJUHHUSA-N 1 3 220.360 2.464 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000388621075 487972028 /nfs/dbraw/zinc/97/20/28/487972028.db2.gz HGSIIDFDJUXJJO-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCC1(C)C ZINC000568182727 326322326 /nfs/dbraw/zinc/32/23/26/326322326.db2.gz ZOXVEXZVBDTGDJ-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO c1ccc(C[C@H]2CC[C@H]([NH2+][C@H]3CCNC3)C2)cc1 ZINC000568260444 326336715 /nfs/dbraw/zinc/33/67/15/326336715.db2.gz SPDZRFKCYIEFBF-PMPSAXMXSA-N 1 3 244.382 2.349 20 0 BEADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@H](C)N)c1 ZINC000568749352 326374731 /nfs/dbraw/zinc/37/47/31/326374731.db2.gz VYVNQVNVZFXTRO-JSGCOSHPSA-N 1 3 248.370 2.049 20 0 BEADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@H](C)N)c1 ZINC000568749352 326374733 /nfs/dbraw/zinc/37/47/33/326374733.db2.gz VYVNQVNVZFXTRO-JSGCOSHPSA-N 1 3 248.370 2.049 20 0 BEADHO Cc1ccc(F)cc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000569002507 326386051 /nfs/dbraw/zinc/38/60/51/326386051.db2.gz BXRQKQBANDQAKS-QWRGUYRKSA-N 1 3 224.323 2.350 20 0 BEADHO CCNCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000569093449 326389364 /nfs/dbraw/zinc/38/93/64/326389364.db2.gz WTZNXTOJWJFOCW-UHFFFAOYSA-N 1 3 236.403 2.400 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000569211336 326395051 /nfs/dbraw/zinc/39/50/51/326395051.db2.gz FDZVDUUDFMIDON-OLZOCXBDSA-N 1 3 230.371 2.494 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000569211333 326395068 /nfs/dbraw/zinc/39/50/68/326395068.db2.gz FDZVDUUDFMIDON-CHWSQXEVSA-N 1 3 230.371 2.494 20 0 BEADHO C[C@@H]1C[C@@H]1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000488336107 533714621 /nfs/dbraw/zinc/71/46/21/533714621.db2.gz SYXMAGKAVCJLJL-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@@H]1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000488336107 533714628 /nfs/dbraw/zinc/71/46/28/533714628.db2.gz SYXMAGKAVCJLJL-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH+]1CCC(N2CCCC2)CC1 ZINC000488310161 533715846 /nfs/dbraw/zinc/71/58/46/533715846.db2.gz PQCORMYVNHRIFI-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663497082 488045905 /nfs/dbraw/zinc/04/59/05/488045905.db2.gz BFOIFAOCEVBEAA-IUDNXUCKSA-N 1 3 244.382 2.349 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000656200847 488066952 /nfs/dbraw/zinc/06/69/52/488066952.db2.gz GKAGVWFMSIVVSP-SRVKXCTJSA-N 1 3 230.396 2.153 20 0 BEADHO C[C@@H](c1ccncc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257692591 488082591 /nfs/dbraw/zinc/08/25/91/488082591.db2.gz JNNBVXHBUMXJIV-ZDUSSCGKSA-N 1 3 245.370 2.218 20 0 BEADHO CCN1CC[C@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000675780436 488120906 /nfs/dbraw/zinc/12/09/06/488120906.db2.gz YJCKWQVZDWVTPD-FZMZJTMJSA-N 1 3 236.359 2.408 20 0 BEADHO CCc1ccc(CC[N@H+](C)CCCN)cc1 ZINC000258774145 488133743 /nfs/dbraw/zinc/13/37/43/488133743.db2.gz OLJPVECYUGUTDH-UHFFFAOYSA-N 1 3 220.360 2.072 20 0 BEADHO CCc1ccc(CC[N@@H+](C)CCCN)cc1 ZINC000258774145 488133747 /nfs/dbraw/zinc/13/37/47/488133747.db2.gz OLJPVECYUGUTDH-UHFFFAOYSA-N 1 3 220.360 2.072 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000093496301 487471710 /nfs/dbraw/zinc/47/17/10/487471710.db2.gz BOFCXGWBJPMSTJ-MJBXVCDLSA-N 1 3 240.391 2.066 20 0 BEADHO CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000380971965 487491865 /nfs/dbraw/zinc/49/18/65/487491865.db2.gz AQZDJSYBZHRYDD-KBPBESRZSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000380971965 487491869 /nfs/dbraw/zinc/49/18/69/487491869.db2.gz AQZDJSYBZHRYDD-KBPBESRZSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)=CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662267829 487509007 /nfs/dbraw/zinc/50/90/07/487509007.db2.gz ZGDWBUJIALLDFW-CYBMUJFWSA-N 1 3 208.349 2.028 20 0 BEADHO CC(C)=CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000662267832 487509729 /nfs/dbraw/zinc/50/97/29/487509729.db2.gz ZGDWBUJIALLDFW-ZDUSSCGKSA-N 1 3 208.349 2.028 20 0 BEADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CCCC2)C1(C)C ZINC000300629164 487524124 /nfs/dbraw/zinc/52/41/24/487524124.db2.gz LOTNNEUPSUEOBI-NWDGAFQWSA-N 1 3 240.391 2.051 20 0 BEADHO CC1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000232860908 487665573 /nfs/dbraw/zinc/66/55/73/487665573.db2.gz XMIYQMDTPXGKOS-BPCQOVAHSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1C ZINC000258852626 488139433 /nfs/dbraw/zinc/13/94/33/488139433.db2.gz FEWCIMOYSDFQQW-LSDHHAIUSA-N 1 3 232.371 2.315 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1C ZINC000258852623 488139691 /nfs/dbraw/zinc/13/96/91/488139691.db2.gz FEWCIMOYSDFQQW-HUUCEWRRSA-N 1 3 232.371 2.315 20 0 BEADHO CCc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000258874263 488140246 /nfs/dbraw/zinc/14/02/46/488140246.db2.gz GFPZIMBAGJFCLF-CABCVRRESA-N 1 3 232.371 2.261 20 0 BEADHO CCc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258874269 488140812 /nfs/dbraw/zinc/14/08/12/488140812.db2.gz GFPZIMBAGJFCLF-LSDHHAIUSA-N 1 3 232.371 2.261 20 0 BEADHO CCc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000258991035 488145410 /nfs/dbraw/zinc/14/54/10/488145410.db2.gz MMVMQSCVEWNLCF-UHFFFAOYSA-N 1 3 232.371 2.133 20 0 BEADHO CCc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000258991035 488145413 /nfs/dbraw/zinc/14/54/13/488145413.db2.gz MMVMQSCVEWNLCF-UHFFFAOYSA-N 1 3 232.371 2.133 20 0 BEADHO c1ccc(CCCCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000122194471 490128408 /nfs/dbraw/zinc/12/84/08/490128408.db2.gz BUFPEFBIOZRFKX-HOTGVXAUSA-N 1 3 244.382 2.161 20 0 BEADHO CC1(C)CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000129585651 490153275 /nfs/dbraw/zinc/15/32/75/490153275.db2.gz XMPDXDDOKXFROX-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C1=CCC([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000125039353 490411728 /nfs/dbraw/zinc/41/17/28/490411728.db2.gz SUUZEWYRFDAIDB-UHFFFAOYSA-N 1 3 243.354 2.359 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536716 491104848 /nfs/dbraw/zinc/10/48/48/491104848.db2.gz ZIIAFQBUEKTEAG-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536716 491104849 /nfs/dbraw/zinc/10/48/49/491104849.db2.gz ZIIAFQBUEKTEAG-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536716 491104851 /nfs/dbraw/zinc/10/48/51/491104851.db2.gz ZIIAFQBUEKTEAG-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000309671282 491153609 /nfs/dbraw/zinc/15/36/09/491153609.db2.gz JXHSDEQPOKWFRC-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO CCCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC000757127729 582503586 /nfs/dbraw/zinc/50/35/86/582503586.db2.gz HVPNJFWZYAYDPY-ZDUSSCGKSA-N 1 3 210.365 2.395 20 0 BEADHO CCCCC[N@H+]1CCC[C@]12CCCNC2 ZINC000757127729 582503589 /nfs/dbraw/zinc/50/35/89/582503589.db2.gz HVPNJFWZYAYDPY-ZDUSSCGKSA-N 1 3 210.365 2.395 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252682944 536375072 /nfs/dbraw/zinc/37/50/72/536375072.db2.gz CXZRGFALEOHGSN-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252682944 536375074 /nfs/dbraw/zinc/37/50/74/536375074.db2.gz CXZRGFALEOHGSN-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837670 /nfs/dbraw/zinc/83/76/70/527837670.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837676 /nfs/dbraw/zinc/83/76/76/527837676.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837681 /nfs/dbraw/zinc/83/76/81/527837681.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000488321748 527837685 /nfs/dbraw/zinc/83/76/85/527837685.db2.gz NRIMXTQTWXXTBZ-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400461627 529312155 /nfs/dbraw/zinc/31/21/55/529312155.db2.gz RSAIEVRAIFJBHI-LOWDOPEQSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCN1 ZINC000400461627 529312157 /nfs/dbraw/zinc/31/21/57/529312157.db2.gz RSAIEVRAIFJBHI-LOWDOPEQSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000479953104 529336248 /nfs/dbraw/zinc/33/62/48/529336248.db2.gz GQUGJXMIQJGODG-BMFZPTHFSA-N 1 3 244.382 2.331 20 0 BEADHO CC(C)(C)[C@@H]1CCC[N@H+](CCCN)CC1 ZINC000070652723 535073726 /nfs/dbraw/zinc/07/37/26/535073726.db2.gz ZFUNVBHLIYGHKK-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)[C@@H]1CCC[N@@H+](CCCN)CC1 ZINC000070652723 535073730 /nfs/dbraw/zinc/07/37/30/535073730.db2.gz ZFUNVBHLIYGHKK-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)[C@@H]1CCCN(CCC[NH3+])CC1 ZINC000070652723 535073732 /nfs/dbraw/zinc/07/37/32/535073732.db2.gz ZFUNVBHLIYGHKK-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000172644668 535135372 /nfs/dbraw/zinc/13/53/72/535135372.db2.gz YTCJOWMAXCTESQ-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC(C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000172644668 535135375 /nfs/dbraw/zinc/13/53/75/535135375.db2.gz YTCJOWMAXCTESQ-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC(C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644668 535135377 /nfs/dbraw/zinc/13/53/77/535135377.db2.gz YTCJOWMAXCTESQ-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCOC ZINC000348309347 535580165 /nfs/dbraw/zinc/58/01/65/535580165.db2.gz FXHVBTOTABMMEX-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCOC ZINC000348309347 535580170 /nfs/dbraw/zinc/58/01/70/535580170.db2.gz FXHVBTOTABMMEX-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261565582 535935685 /nfs/dbraw/zinc/93/56/85/535935685.db2.gz HSZXYQZIMWVNBK-JYJNAYRXSA-N 1 3 244.382 2.418 20 0 BEADHO CCc1ccccc1C[NH2+]CC(C)(C)N ZINC000261536085 535939808 /nfs/dbraw/zinc/93/98/08/535939808.db2.gz QHQCCWZMVCZQSA-UHFFFAOYSA-N 1 3 206.333 2.076 20 0 BEADHO C[NH+]1CCC2(CCCN2Cc2ccncc2)CC1 ZINC000334408582 536348569 /nfs/dbraw/zinc/34/85/69/536348569.db2.gz IEGZSAQIDLQASC-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO CN1CCC2(CCC[N@@H+]2Cc2ccncc2)CC1 ZINC000334408582 536348571 /nfs/dbraw/zinc/34/85/71/536348571.db2.gz IEGZSAQIDLQASC-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO CN1CCC2(CCC[N@H+]2Cc2ccncc2)CC1 ZINC000334408582 536348572 /nfs/dbraw/zinc/34/85/72/536348572.db2.gz IEGZSAQIDLQASC-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252219046 536375698 /nfs/dbraw/zinc/37/56/98/536375698.db2.gz YNWOKELNNHMNAQ-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000252219046 536375700 /nfs/dbraw/zinc/37/57/00/536375700.db2.gz YNWOKELNNHMNAQ-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO C[NH2+][C@H](C)CNc1ccnc2ccccc21 ZINC000261573805 536404602 /nfs/dbraw/zinc/40/46/02/536404602.db2.gz IZINWYXEFYETCC-SNVBAGLBSA-N 1 3 215.300 2.255 20 0 BEADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)C1CC1 ZINC000262002035 536647685 /nfs/dbraw/zinc/64/76/85/536647685.db2.gz PXVLFXJALXIERM-SOUVJXGZSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@H](CCN1CC[C@@H](C)C1)[N@@H+]1CC[C@H](C)C1 ZINC000431606913 566366242 /nfs/dbraw/zinc/36/62/42/566366242.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CCN1CC[C@@H](C)C1)[N@H+]1CC[C@H](C)C1 ZINC000431606913 566366250 /nfs/dbraw/zinc/36/62/50/566366250.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CC[N@@H+]1CC[C@@H](C)C1)N1CC[C@H](C)C1 ZINC000431606913 566366256 /nfs/dbraw/zinc/36/62/56/566366256.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](CC[N@H+]1CC[C@@H](C)C1)N1CC[C@H](C)C1 ZINC000431606913 566366266 /nfs/dbraw/zinc/36/62/66/566366266.db2.gz VQTQYAIBAKWKHT-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO [NH3+][C@@H]1CCCC[C@H]1NCCC1SCCS1 ZINC000853023506 588716561 /nfs/dbraw/zinc/71/65/61/588716561.db2.gz ZJLBZDFYDRUKNY-NXEZZACHSA-N 1 3 246.445 2.042 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853248938 588728876 /nfs/dbraw/zinc/72/88/76/588728876.db2.gz LZUKKXGFSOBOBP-GUBZILKMSA-N 1 3 238.297 2.305 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000854229934 588781064 /nfs/dbraw/zinc/78/10/64/588781064.db2.gz ARQQKANOQRCKRZ-UPJWGTAASA-N 1 3 212.381 2.384 20 0 BEADHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757135097 582514306 /nfs/dbraw/zinc/51/43/06/582514306.db2.gz YKEFQTJKBYWEMV-QWHCGFSZSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757135097 582514307 /nfs/dbraw/zinc/51/43/07/582514307.db2.gz YKEFQTJKBYWEMV-QWHCGFSZSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC000757135097 582514309 /nfs/dbraw/zinc/51/43/09/582514309.db2.gz YKEFQTJKBYWEMV-QWHCGFSZSA-N 1 3 210.365 2.393 20 0 BEADHO CN1CCC(C[NH+]2CCC(C(F)F)CC2)CC1 ZINC000892057610 582777243 /nfs/dbraw/zinc/77/72/43/582777243.db2.gz IZBSRUBWIRMEFZ-UHFFFAOYSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1CC[C@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000892069317 582784058 /nfs/dbraw/zinc/78/40/58/582784058.db2.gz HWQYRMNCUJPWDC-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H]1CC[C@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000892069317 582784061 /nfs/dbraw/zinc/78/40/61/582784061.db2.gz HWQYRMNCUJPWDC-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892222249 582808909 /nfs/dbraw/zinc/80/89/09/582808909.db2.gz QRNCGXABLWJVKY-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO CC[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892222249 582808912 /nfs/dbraw/zinc/80/89/12/582808912.db2.gz QRNCGXABLWJVKY-GFCCVEGCSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H]1CC[C@H](C)[NH+]1CC1CCN(C)CC1 ZINC000892224571 582810072 /nfs/dbraw/zinc/81/00/72/582810072.db2.gz XSPSXUNVTSYELF-RYUDHWBXSA-N 1 3 210.365 2.201 20 0 BEADHO N[C@@]12CCC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086553 588886780 /nfs/dbraw/zinc/88/67/80/588886780.db2.gz LRRMGOWWVLEMJF-WCQYABFASA-N 1 3 236.384 2.104 20 0 BEADHO N[C@@]12CCC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC000857086553 588886781 /nfs/dbraw/zinc/88/67/81/588886781.db2.gz LRRMGOWWVLEMJF-WCQYABFASA-N 1 3 236.384 2.104 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086555 588887167 /nfs/dbraw/zinc/88/71/67/588887167.db2.gz LRRMGOWWVLEMJF-YPMHNXCESA-N 1 3 236.384 2.104 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@@H+](CCc1cccs1)C2 ZINC000857086555 588887168 /nfs/dbraw/zinc/88/71/68/588887168.db2.gz LRRMGOWWVLEMJF-YPMHNXCESA-N 1 3 236.384 2.104 20 0 BEADHO C[C@H]1CCSCC[N@@H+]1CC1CCN(C)CC1 ZINC000894000699 583271627 /nfs/dbraw/zinc/27/16/27/583271627.db2.gz RYOGEZXFEPLNLS-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H]1CCSCC[N@H+]1CC1CCN(C)CC1 ZINC000894000699 583271629 /nfs/dbraw/zinc/27/16/29/583271629.db2.gz RYOGEZXFEPLNLS-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)CCS1 ZINC000894029882 583281451 /nfs/dbraw/zinc/28/14/51/583281451.db2.gz OATGVWYQRWQMDX-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)CCS1 ZINC000894029882 583281452 /nfs/dbraw/zinc/28/14/52/583281452.db2.gz OATGVWYQRWQMDX-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H](c1cccnc1)N(C)CC1CC[NH+](C)CC1 ZINC000738312922 583379003 /nfs/dbraw/zinc/37/90/03/583379003.db2.gz ZMFVFCHDKNEIEP-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO C[C@H](c1cccnc1)[N@H+](C)CC1CCN(C)CC1 ZINC000738312922 583379005 /nfs/dbraw/zinc/37/90/05/583379005.db2.gz ZMFVFCHDKNEIEP-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO C[C@H](c1cccnc1)[N@@H+](C)CC1CCN(C)CC1 ZINC000738312922 583379007 /nfs/dbraw/zinc/37/90/07/583379007.db2.gz ZMFVFCHDKNEIEP-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO CC(C)(CC[N@@H+]1CC[C@H](CN)C1)C1CC1 ZINC000328546364 583415010 /nfs/dbraw/zinc/41/50/10/583415010.db2.gz NRJILYPQDYKFNW-LLVKDONJSA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)(CC[N@H+]1CC[C@H](CN)C1)C1CC1 ZINC000328546364 583415012 /nfs/dbraw/zinc/41/50/12/583415012.db2.gz NRJILYPQDYKFNW-LLVKDONJSA-N 1 3 210.365 2.093 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000894948791 583559231 /nfs/dbraw/zinc/55/92/31/583559231.db2.gz NVBKVHCUQIQPRP-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000894948791 583559233 /nfs/dbraw/zinc/55/92/33/583559233.db2.gz NVBKVHCUQIQPRP-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)CCC1CC1)N(C)C ZINC000895295054 583638844 /nfs/dbraw/zinc/63/88/44/583638844.db2.gz ZTSJIXVTSDUAKX-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1ccc(CCC[NH2+]CC[C@H](C)N(C)C)cn1 ZINC000895292970 583639134 /nfs/dbraw/zinc/63/91/34/583639134.db2.gz FBPNIUYUSDTLOE-AWEZNQCLSA-N 1 3 249.402 2.252 20 0 BEADHO Cc1ccc(CCCNCC[C@H](C)[NH+](C)C)cn1 ZINC000895292970 583639137 /nfs/dbraw/zinc/63/91/37/583639137.db2.gz FBPNIUYUSDTLOE-AWEZNQCLSA-N 1 3 249.402 2.252 20 0 BEADHO COCC1CCC([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000895293767 583639844 /nfs/dbraw/zinc/63/98/44/583639844.db2.gz PZXHTBKGQUVLJG-IYXRBSQSSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]1CN(CC2(C)CC2)CCN1c1cc[nH+]cc1 ZINC000895556308 583690666 /nfs/dbraw/zinc/69/06/66/583690666.db2.gz HBNGOHXVYDBMDH-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO CN1CC[C@H]([NH2+]Cc2ccc(O)cc2)CC1(C)C ZINC000858121175 588933797 /nfs/dbraw/zinc/93/37/97/588933797.db2.gz XGKPWAJDXCWSSJ-ZDUSSCGKSA-N 1 3 248.370 2.355 20 0 BEADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCC=CO2)CC1(C)C ZINC000858158540 588936114 /nfs/dbraw/zinc/93/61/14/588936114.db2.gz LFAPBTNGLSCKHV-OLZOCXBDSA-N 1 3 238.375 2.142 20 0 BEADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCC=CO2)CC1(C)C ZINC000858158540 588936115 /nfs/dbraw/zinc/93/61/15/588936115.db2.gz LFAPBTNGLSCKHV-OLZOCXBDSA-N 1 3 238.375 2.142 20 0 BEADHO C[N@@H+]1CC[C@H](NC[C@H]2CCC=CO2)CC1(C)C ZINC000858158541 588936422 /nfs/dbraw/zinc/93/64/22/588936422.db2.gz LFAPBTNGLSCKHV-QWHCGFSZSA-N 1 3 238.375 2.142 20 0 BEADHO C[N@H+]1CC[C@H](NC[C@H]2CCC=CO2)CC1(C)C ZINC000858158541 588936424 /nfs/dbraw/zinc/93/64/24/588936424.db2.gz LFAPBTNGLSCKHV-QWHCGFSZSA-N 1 3 238.375 2.142 20 0 BEADHO CCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000673710694 583928122 /nfs/dbraw/zinc/92/81/22/583928122.db2.gz CRSHPCQTBSVKEG-UHFFFAOYSA-N 1 3 219.332 2.004 20 0 BEADHO CCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000673710694 583928124 /nfs/dbraw/zinc/92/81/24/583928124.db2.gz CRSHPCQTBSVKEG-UHFFFAOYSA-N 1 3 219.332 2.004 20 0 BEADHO CC[C@](C)(CN(C)CC(C)(C)C[NH+](C)C)OC ZINC000898308224 584109431 /nfs/dbraw/zinc/10/94/31/584109431.db2.gz SVLDKSJYBRAEDT-CQSZACIVSA-N 1 3 244.423 2.321 20 0 BEADHO CCN1CC[C@H]([NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC000898431938 584134883 /nfs/dbraw/zinc/13/48/83/584134883.db2.gz DHNLCGQRQTUBLP-UARRTVENSA-N 1 3 216.756 2.059 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NCCC(F)(F)F)C1 ZINC000902345182 584558488 /nfs/dbraw/zinc/55/84/88/584558488.db2.gz AQBWZRJPEPGAOO-SECBINFHSA-N 1 3 238.297 2.307 20 0 BEADHO CCCCOCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333800 584563361 /nfs/dbraw/zinc/56/33/61/584563361.db2.gz ODJPHAFPGAPXAC-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCC=CO2)C1 ZINC000902376020 584567962 /nfs/dbraw/zinc/56/79/62/584567962.db2.gz GNCWGDSTFGSEAY-STQMWFEESA-N 1 3 238.375 2.047 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902406857 584574071 /nfs/dbraw/zinc/57/40/71/584574071.db2.gz VIJCJZSSCVYPAJ-XHJNMGKDSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902406857 584574074 /nfs/dbraw/zinc/57/40/74/584574074.db2.gz VIJCJZSSCVYPAJ-XHJNMGKDSA-N 1 3 236.403 2.399 20 0 BEADHO CC/C=C/CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387431 584579477 /nfs/dbraw/zinc/57/94/77/584579477.db2.gz KSKOEYCUFALQLT-FYJFLYSWSA-N 1 3 210.365 2.320 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NCc2cccc(N)c2)C1 ZINC000902391147 584582280 /nfs/dbraw/zinc/58/22/80/584582280.db2.gz COQVTRCLHZSEGQ-AWEZNQCLSA-N 1 3 247.386 2.137 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc2c(c1)CCO2 ZINC000902405368 584588757 /nfs/dbraw/zinc/58/87/57/584588757.db2.gz MSXXOWBRPMAEAB-QJPTWQEYSA-N 1 3 248.370 2.398 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)C1CC1 ZINC000902432802 584595359 /nfs/dbraw/zinc/59/53/59/584595359.db2.gz PZGBYRIPPIXPBP-JQWIXIFHSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCNC1(C)C)C1CC1 ZINC000902433972 584595999 /nfs/dbraw/zinc/59/59/99/584595999.db2.gz WNHYSIMKTVOZIQ-NSHDSACASA-N 1 3 210.365 2.153 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902440907 584597775 /nfs/dbraw/zinc/59/77/75/584597775.db2.gz BEOYVNGAYPWNPJ-WDEREUQCSA-N 1 3 212.381 2.399 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000902442476 584597971 /nfs/dbraw/zinc/59/79/71/584597971.db2.gz IMJQERPTWFNVJZ-VQXHTEKXSA-N 1 3 246.345 2.398 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902445371 584598899 /nfs/dbraw/zinc/59/88/99/584598899.db2.gz LUPBFPQUTUNIRX-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CNCC1(C)C ZINC000902448113 584604534 /nfs/dbraw/zinc/60/45/34/584604534.db2.gz CHJHUMPZIHLBHU-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902447501 584604771 /nfs/dbraw/zinc/60/47/71/584604771.db2.gz YPSXDOJMFFMBFA-IJLUTSLNSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000902447551 584604896 /nfs/dbraw/zinc/60/48/96/584604896.db2.gz ZLXUKTCQXDCLIZ-STQMWFEESA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1CNCC1(C)C)C1CCCC1 ZINC000902448733 584605577 /nfs/dbraw/zinc/60/55/77/584605577.db2.gz HZDBHCVCLKYFGL-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)NCC[C@@H]1[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902453250 584607723 /nfs/dbraw/zinc/60/77/23/584607723.db2.gz OGZDIPJFTIDBFL-MNOVXSKESA-N 1 3 242.432 2.391 20 0 BEADHO C1CC2(C1)NCC[C@H]2[NH2+][C@H]1C[C@H]2CCC[C@H]21 ZINC000902453078 584608306 /nfs/dbraw/zinc/60/83/06/584608306.db2.gz CCZDWXCZWPQYNP-FVCCEPFGSA-N 1 3 220.360 2.049 20 0 BEADHO CC1(C)NCC[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902455779 584609229 /nfs/dbraw/zinc/60/92/29/584609229.db2.gz YYWDZILGKGLGOC-NWDGAFQWSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C1CNC1 ZINC000902457582 584610013 /nfs/dbraw/zinc/61/00/13/584610013.db2.gz UWXWUVWIWKWNPF-VHSXEESVSA-N 1 3 232.318 2.009 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902459121 584610821 /nfs/dbraw/zinc/61/08/21/584610821.db2.gz XGRDUTMVBIHHPB-PDWCTOEPSA-N 1 3 222.376 2.282 20 0 BEADHO CC1(C)CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000902461203 584611720 /nfs/dbraw/zinc/61/17/20/584611720.db2.gz LXEHLFWVZSHEQL-JHJVBQTASA-N 1 3 240.391 2.194 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902462986 584612273 /nfs/dbraw/zinc/61/22/73/584612273.db2.gz YLNXSWLIRCAFNO-IKKURHKOSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]1C ZINC000902465893 584613655 /nfs/dbraw/zinc/61/36/55/584613655.db2.gz HIBYDIQCAAKJHP-BUCHIQEDSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902466933 584614509 /nfs/dbraw/zinc/61/45/09/584614509.db2.gz OYORRMAFKJNXQV-IKOXMDCHSA-N 1 3 220.360 2.048 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468204 584614557 /nfs/dbraw/zinc/61/45/57/584614557.db2.gz MVJZKIJXKGQQQX-OBPIAQAESA-N 1 3 222.376 2.294 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468205 584614586 /nfs/dbraw/zinc/61/45/86/584614586.db2.gz MVJZKIJXKGQQQX-ZOLYEBIHSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC1[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902467684 584614939 /nfs/dbraw/zinc/61/49/39/584614939.db2.gz RHYWBBQMKLBXKP-LXTVHRRPSA-N 1 3 234.387 2.438 20 0 BEADHO C1CC1[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902467682 584615004 /nfs/dbraw/zinc/61/50/04/584615004.db2.gz RHYWBBQMKLBXKP-BARDWOONSA-N 1 3 234.387 2.438 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H]1N3)C2 ZINC000902469637 584615399 /nfs/dbraw/zinc/61/53/99/584615399.db2.gz ZJYRYKHDEQEGSR-FZKCQIBNSA-N 1 3 242.366 2.026 20 0 BEADHO CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470484 584616414 /nfs/dbraw/zinc/61/64/14/584616414.db2.gz YOVOAPNUAKDCFW-XVIXHAIJSA-N 1 3 222.376 2.438 20 0 BEADHO Cc1nc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)c(C)s1 ZINC000902489968 584617301 /nfs/dbraw/zinc/61/73/01/584617301.db2.gz QKRAXXFNKXQDKT-SWPVVBRQSA-N 1 3 239.388 2.148 20 0 BEADHO CC[C@H](NC[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000902482432 584623993 /nfs/dbraw/zinc/62/39/93/584623993.db2.gz LDWMDRWWCLFHEE-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cccc(F)c1F ZINC000902485485 584625158 /nfs/dbraw/zinc/62/51/58/584625158.db2.gz LBDGSFXSQVEKCX-GUBZILKMSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(F)cc(F)c1 ZINC000902488113 584626729 /nfs/dbraw/zinc/62/67/29/584626729.db2.gz KGOOAOWRPULQBP-RVBZMBCESA-N 1 3 240.297 2.353 20 0 BEADHO CC1(C)C[C@@H](NC/C=C/Cl)C[C@@H]([NH3+])C1 ZINC000902517469 584630015 /nfs/dbraw/zinc/63/00/15/584630015.db2.gz HZJWOXNOWALPMO-OKWQPMOJSA-N 1 3 216.756 2.235 20 0 BEADHO C[C@H](F)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903178617 584733127 /nfs/dbraw/zinc/73/31/27/584733127.db2.gz XQNLUYXSNNQOMW-CRMUJIHISA-N 1 3 240.366 2.482 20 0 BEADHO C[C@H](F)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178617 584733128 /nfs/dbraw/zinc/73/31/28/584733128.db2.gz XQNLUYXSNNQOMW-CRMUJIHISA-N 1 3 240.366 2.482 20 0 BEADHO Cc1cc([C@@H]2CCCN2C[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000903430932 584761683 /nfs/dbraw/zinc/76/16/83/584761683.db2.gz JMFCNMPUVXMELC-DYEKYZERSA-N 1 3 249.358 2.247 20 0 BEADHO CC1CC(CN2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903751210 584795413 /nfs/dbraw/zinc/79/54/13/584795413.db2.gz FTKYSOJGLFOXSX-JXQTWKCFSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccccc2CF)C1 ZINC000903744716 584796725 /nfs/dbraw/zinc/79/67/25/584796725.db2.gz XMXQSWWXBFPOSJ-AAEUAGOBSA-N 1 3 236.334 2.325 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccccc2CF)C1 ZINC000903744718 584796746 /nfs/dbraw/zinc/79/67/46/584796746.db2.gz XMXQSWWXBFPOSJ-WCQYABFASA-N 1 3 236.334 2.325 20 0 BEADHO CN(C[C@H]1CC1(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000903769893 584797974 /nfs/dbraw/zinc/79/79/74/584797974.db2.gz QXQRTESYMMNWKE-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@H+](C[C@H]1CC1(C)C)C[C@H]1CCCCNC1 ZINC000903769893 584797976 /nfs/dbraw/zinc/79/79/76/584797976.db2.gz QXQRTESYMMNWKE-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCCCNC1 ZINC000903769893 584797978 /nfs/dbraw/zinc/79/79/78/584797978.db2.gz QXQRTESYMMNWKE-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@]12C[N@H+](CCCNC3CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903826482 584804926 /nfs/dbraw/zinc/80/49/26/584804926.db2.gz KGPPPWRCOZRNLD-LQKXBSAESA-N 1 3 248.414 2.497 20 0 BEADHO C[C@]12C[N@@H+](CCCNC3CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903826482 584804928 /nfs/dbraw/zinc/80/49/28/584804928.db2.gz KGPPPWRCOZRNLD-LQKXBSAESA-N 1 3 248.414 2.497 20 0 BEADHO C[C@]12C[N@H+](CCCNC3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826953 584805033 /nfs/dbraw/zinc/80/50/33/584805033.db2.gz OYHYBMAYDPLOCR-LQKXBSAESA-N 1 3 246.398 2.273 20 0 BEADHO C[C@]12C[N@@H+](CCCNC3CC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826953 584805034 /nfs/dbraw/zinc/80/50/34/584805034.db2.gz OYHYBMAYDPLOCR-LQKXBSAESA-N 1 3 246.398 2.273 20 0 BEADHO CC(C)=CCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856531 584809499 /nfs/dbraw/zinc/80/94/99/584809499.db2.gz ABFUZHQDEOEACN-CHWSQXEVSA-N 1 3 208.349 2.156 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857368 584810497 /nfs/dbraw/zinc/81/04/97/584810497.db2.gz DKWPIWQFQJAFRP-WZRBSPASSA-N 1 3 246.345 2.481 20 0 BEADHO [NH3+]C[C@]12CC[C@H]1CCN2CCc1ccccc1 ZINC000903859043 584811337 /nfs/dbraw/zinc/81/13/37/584811337.db2.gz ZAUBUBLPLPLYJI-LSDHHAIUSA-N 1 3 230.355 2.042 20 0 BEADHO CC(C)([NH3+])CCNC[C@H]1CCOc2ccccc21 ZINC000903939143 584823249 /nfs/dbraw/zinc/82/32/49/584823249.db2.gz RJUDHLFYBFOCKK-GFCCVEGCSA-N 1 3 248.370 2.270 20 0 BEADHO C[C@H](Cc1cccs1)NC[C@H]([NH3+])CC(F)F ZINC000903923259 584823754 /nfs/dbraw/zinc/82/37/54/584823754.db2.gz OZMFWTRPCSLLCO-RKDXNWHRSA-N 1 3 248.342 2.251 20 0 BEADHO CC(C)([NH3+])CCNC/C=C\c1ccccc1 ZINC000903938438 584826163 /nfs/dbraw/zinc/82/61/63/584826163.db2.gz ALUIROFNHAVJJS-TWGQIWQCSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H](Cc1ccccc1F)NCCC(C)(C)[NH3+] ZINC000903939832 584828938 /nfs/dbraw/zinc/82/89/38/584828938.db2.gz OAQYEZRYPVEIEZ-NSHDSACASA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]1C[C@H](CNCc2cc(C3CC3)no2)CC[NH2+]1 ZINC000903954097 584831380 /nfs/dbraw/zinc/83/13/80/584831380.db2.gz QAARVUBPEMDOAN-WDEREUQCSA-N 1 3 249.358 2.030 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1ccccc1F ZINC000903974250 584832594 /nfs/dbraw/zinc/83/25/94/584832594.db2.gz NFKZGDHUGZDZMU-VXGBXAGGSA-N 1 3 236.334 2.161 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000903964090 584833816 /nfs/dbraw/zinc/83/38/16/584833816.db2.gz LHTFSQQFQJEZLJ-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000903964109 584834226 /nfs/dbraw/zinc/83/42/26/584834226.db2.gz LXPUGVWQDGQARB-SYLRKERUSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000903965018 584834771 /nfs/dbraw/zinc/83/47/71/584834771.db2.gz YHXJEIJDYIDYDB-NZEXEKPDSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@](C)(NC[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000904329202 584866108 /nfs/dbraw/zinc/86/61/08/584866108.db2.gz MNUVUDPCJBOIMI-UMNHJUIQSA-N 1 3 239.388 2.095 20 0 BEADHO CCC[C@@](C)(CO)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904330037 584866199 /nfs/dbraw/zinc/86/61/99/584866199.db2.gz XJNUHWJVHBFKKA-OCCSQVGLSA-N 1 3 244.423 2.281 20 0 BEADHO C[C@H]1CC(C)(C)C[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904372356 584873743 /nfs/dbraw/zinc/87/37/43/584873743.db2.gz CBIVBUCLUMQUHB-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1CC(C)(C)C[N@H+]1C[C@]1(C)CCCNC1 ZINC000904372356 584873744 /nfs/dbraw/zinc/87/37/44/584873744.db2.gz CBIVBUCLUMQUHB-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO [NH3+]CC1CC(NCc2c(F)cccc2Cl)C1 ZINC000904363083 584874570 /nfs/dbraw/zinc/87/45/70/584874570.db2.gz AOILNLGDGXIFSD-UHFFFAOYSA-N 1 3 242.725 2.306 20 0 BEADHO [NH3+]CC1CC(N[C@H]2c3ccccc3CC[C@@H]2F)C1 ZINC000904386020 584877993 /nfs/dbraw/zinc/87/79/93/584877993.db2.gz MZEISRLQRYBSNO-HCJITBMDSA-N 1 3 248.345 2.339 20 0 BEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000769528249 585558794 /nfs/dbraw/zinc/55/87/94/585558794.db2.gz UVNQZSGLPGKCLI-RSJDFQLWSA-N 1 3 246.345 2.493 20 0 BEADHO CC[N@@H+]1CCC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000774988687 585670120 /nfs/dbraw/zinc/67/01/20/585670120.db2.gz FNNIGHGXKYCZPY-UONOGXRCSA-N 1 3 238.375 2.001 20 0 BEADHO CC[N@H+]1CCC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000774988687 585670121 /nfs/dbraw/zinc/67/01/21/585670121.db2.gz FNNIGHGXKYCZPY-UONOGXRCSA-N 1 3 238.375 2.001 20 0 BEADHO CC[N@@H+]1CCC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000774988684 585670207 /nfs/dbraw/zinc/67/02/07/585670207.db2.gz FNNIGHGXKYCZPY-KBPBESRZSA-N 1 3 238.375 2.001 20 0 BEADHO CC[N@H+]1CCC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000774988684 585670208 /nfs/dbraw/zinc/67/02/08/585670208.db2.gz FNNIGHGXKYCZPY-KBPBESRZSA-N 1 3 238.375 2.001 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000782182456 585810091 /nfs/dbraw/zinc/81/00/91/585810091.db2.gz HDFFEUIWFGNBND-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000782182456 585810092 /nfs/dbraw/zinc/81/00/92/585810092.db2.gz HDFFEUIWFGNBND-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000782182456 585810093 /nfs/dbraw/zinc/81/00/93/585810093.db2.gz HDFFEUIWFGNBND-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782185548 585810262 /nfs/dbraw/zinc/81/02/62/585810262.db2.gz HGSNFLPSTGCFKQ-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782185548 585810263 /nfs/dbraw/zinc/81/02/63/585810263.db2.gz HGSNFLPSTGCFKQ-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000782182457 585810325 /nfs/dbraw/zinc/81/03/25/585810325.db2.gz HDFFEUIWFGNBND-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000782182457 585810326 /nfs/dbraw/zinc/81/03/26/585810326.db2.gz HDFFEUIWFGNBND-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000782182457 585810327 /nfs/dbraw/zinc/81/03/27/585810327.db2.gz HDFFEUIWFGNBND-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000782184866 585810557 /nfs/dbraw/zinc/81/05/57/585810557.db2.gz GPJOHAPBEWCBOF-JSGCOSHPSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000782184866 585810558 /nfs/dbraw/zinc/81/05/58/585810558.db2.gz GPJOHAPBEWCBOF-JSGCOSHPSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000782184866 585810559 /nfs/dbraw/zinc/81/05/59/585810559.db2.gz GPJOHAPBEWCBOF-JSGCOSHPSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C1CC1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184866 585810560 /nfs/dbraw/zinc/81/05/60/585810560.db2.gz GPJOHAPBEWCBOF-JSGCOSHPSA-N 1 3 236.403 2.449 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782184313 585810681 /nfs/dbraw/zinc/81/06/81/585810681.db2.gz CMYOUDDLXHQEMN-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782184313 585810682 /nfs/dbraw/zinc/81/06/82/585810682.db2.gz CMYOUDDLXHQEMN-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN([C@H](C)C2CC2)C1 ZINC000782184313 585810683 /nfs/dbraw/zinc/81/06/83/585810683.db2.gz CMYOUDDLXHQEMN-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000788471701 585925203 /nfs/dbraw/zinc/92/52/03/585925203.db2.gz YBLXCRTWAFKZEW-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000788471701 585925204 /nfs/dbraw/zinc/92/52/04/585925204.db2.gz YBLXCRTWAFKZEW-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CN1CCC2(CCC[N@@H+]2Cc2ccoc2)CC1 ZINC000789559617 585944174 /nfs/dbraw/zinc/94/41/74/585944174.db2.gz QWUFVCUONZXTBJ-UHFFFAOYSA-N 1 3 234.343 2.340 20 0 BEADHO CN1CCC2(CCC[N@H+]2Cc2ccoc2)CC1 ZINC000789559617 585944175 /nfs/dbraw/zinc/94/41/75/585944175.db2.gz QWUFVCUONZXTBJ-UHFFFAOYSA-N 1 3 234.343 2.340 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000817890479 586831853 /nfs/dbraw/zinc/83/18/53/586831853.db2.gz YOCDBMYACGGPKW-CABCVRRESA-N 1 3 248.370 2.443 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCSC(C)(C)C ZINC000817907649 586836692 /nfs/dbraw/zinc/83/66/92/586836692.db2.gz GZZKDTQVEUNYOX-VXGBXAGGSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000817907649 586836694 /nfs/dbraw/zinc/83/66/94/586836694.db2.gz GZZKDTQVEUNYOX-VXGBXAGGSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H](CSC(C)(C)C)[NH2+]C1CCNCC1 ZINC000817936875 586844587 /nfs/dbraw/zinc/84/45/87/586844587.db2.gz RYANTABBUIZTDE-JTQLQIEISA-N 1 3 230.421 2.248 20 0 BEADHO C[C@@H](CSC(C)(C)C)NC1CC[NH2+]CC1 ZINC000817936875 586844588 /nfs/dbraw/zinc/84/45/88/586844588.db2.gz RYANTABBUIZTDE-JTQLQIEISA-N 1 3 230.421 2.248 20 0 BEADHO C[C@H](CSC(C)(C)C)NC[C@@H]1CCC[NH2+]C1 ZINC000817945542 586845868 /nfs/dbraw/zinc/84/58/68/586845868.db2.gz FWYQBJNSKOGRQD-VXGBXAGGSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000817945542 586845869 /nfs/dbraw/zinc/84/58/69/586845869.db2.gz FWYQBJNSKOGRQD-VXGBXAGGSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(Cl)nc1 ZINC000817959748 586851248 /nfs/dbraw/zinc/85/12/48/586851248.db2.gz IDNROKIADGFTNC-KWQFWETISA-N 1 3 239.750 2.123 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@@H](C[NH3+])C1CC1 ZINC000817959566 586851780 /nfs/dbraw/zinc/85/17/80/586851780.db2.gz GZZUJWJXEFIZLN-KOLCDFICSA-N 1 3 230.421 2.234 20 0 BEADHO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(Cl)nc1 ZINC000817959747 586851872 /nfs/dbraw/zinc/85/18/72/586851872.db2.gz IDNROKIADGFTNC-KCJUWKMLSA-N 1 3 239.750 2.123 20 0 BEADHO Cc1cc(F)ccc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000817961617 586853121 /nfs/dbraw/zinc/85/31/21/586853121.db2.gz AZMVEYLYAZMDDD-KOLCDFICSA-N 1 3 224.323 2.380 20 0 BEADHO CCOc1cccc([C@@H](C)NC[C@H](C)C[NH3+])c1 ZINC000817961831 586853351 /nfs/dbraw/zinc/85/33/51/586853351.db2.gz DHKHZPCIIUSOAO-VXGBXAGGSA-N 1 3 236.359 2.331 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000817964494 586853733 /nfs/dbraw/zinc/85/37/33/586853733.db2.gz ANFFFPLARWZGJU-HUUCEWRRSA-N 1 3 230.355 2.309 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(N)CCC1 ZINC000817965772 586854963 /nfs/dbraw/zinc/85/49/63/586854963.db2.gz ZVKRUEJQBKWLLA-CQSZACIVSA-N 1 3 230.355 2.453 20 0 BEADHO CC[C@H](Cc1cccs1)N[C@@H](C)C[NH3+] ZINC000817970372 586858341 /nfs/dbraw/zinc/85/83/41/586858341.db2.gz SPRJVBVPWHXFNW-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000817972164 586859809 /nfs/dbraw/zinc/85/98/09/586859809.db2.gz UQKZXDFZBOSAMF-MNOVXSKESA-N 1 3 222.332 2.083 20 0 BEADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](C)N ZINC000817973508 586860858 /nfs/dbraw/zinc/86/08/58/586860858.db2.gz UQMXLJZBDOZWAO-NXEZZACHSA-N 1 3 210.296 2.132 20 0 BEADHO CC[C@@](C)(NCCC[NH3+])c1ccccc1 ZINC000841010922 587935348 /nfs/dbraw/zinc/93/53/48/587935348.db2.gz WGINNGDCMFUJFL-CYBMUJFWSA-N 1 3 206.333 2.250 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000841076730 587943838 /nfs/dbraw/zinc/94/38/38/587943838.db2.gz NIKLTQSTDDILIP-GHMZBOCLSA-N 1 3 229.327 2.060 20 0 BEADHO CCCCCC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000841085440 587945642 /nfs/dbraw/zinc/94/56/42/587945642.db2.gz CLDOZFCXAJZUFY-KGLIPLIRSA-N 1 3 242.407 2.313 20 0 BEADHO CCCCCC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000841085441 587945825 /nfs/dbraw/zinc/94/58/25/587945825.db2.gz CLDOZFCXAJZUFY-UONOGXRCSA-N 1 3 242.407 2.313 20 0 BEADHO Cc1cc([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)no1 ZINC000842471444 588029333 /nfs/dbraw/zinc/02/93/33/588029333.db2.gz BJRKOSCIOVSKER-TZMCWYRMSA-N 1 3 249.358 2.120 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cncc2ccccc21 ZINC000843127996 588085335 /nfs/dbraw/zinc/08/53/35/588085335.db2.gz GRGFQYNYFKDEHF-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO CCn1ccnc1[C@@H](C)NCCCCCC[NH3+] ZINC000843342094 588101031 /nfs/dbraw/zinc/10/10/31/588101031.db2.gz NHTBIMGUEQWRPL-GFCCVEGCSA-N 1 3 238.379 2.073 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000843358333 588103640 /nfs/dbraw/zinc/10/36/40/588103640.db2.gz KYGNBVCLBFKWFG-CJNGLKHVSA-N 1 3 244.382 2.085 20 0 BEADHO C[C@@H]1CC2(CN1C/C=C\Cl)CC[NH2+]CC2 ZINC000846224461 588261801 /nfs/dbraw/zinc/26/18/01/588261801.db2.gz XSVZKOZBQZQQDA-SRMRHOMVSA-N 1 3 228.767 2.203 20 0 BEADHO C1=C[C@H](NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000850511954 588555881 /nfs/dbraw/zinc/55/58/81/588555881.db2.gz RNZRXSFRIIQUHG-ZDUSSCGKSA-N 1 3 220.360 2.169 20 0 BEADHO C1=C[C@@H](NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000850511953 588556165 /nfs/dbraw/zinc/55/61/65/588556165.db2.gz RNZRXSFRIIQUHG-CYBMUJFWSA-N 1 3 220.360 2.169 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546709 589296167 /nfs/dbraw/zinc/29/61/67/589296167.db2.gz MZVLZKLQHUQNNS-MROQNXINSA-N 1 3 210.365 2.151 20 0 BEADHO c1cc(N[C@@H]2CCN(C3CC3)C2)c(C2CC2)c[nH+]1 ZINC000872422317 589938619 /nfs/dbraw/zinc/93/86/19/589938619.db2.gz KNMJMIIATQXQJS-GFCCVEGCSA-N 1 3 243.354 2.030 20 0 BEADHO CN1CC=C(CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872502819 589945086 /nfs/dbraw/zinc/94/50/86/589945086.db2.gz PZMUVVXOHCRVIJ-UHFFFAOYSA-N 1 3 243.354 2.055 20 0 BEADHO CC(C)CCC[NH2+][C@]12CCC[C@H]1NCC2 ZINC000873232099 589999693 /nfs/dbraw/zinc/99/96/93/589999693.db2.gz VPRRIYWRAVNXPP-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO COCCC1([NH2+]CCCC(C)C)CCNCC1 ZINC000873224646 590000380 /nfs/dbraw/zinc/00/03/80/590000380.db2.gz DPQPEOHBKPBALX-UHFFFAOYSA-N 1 3 242.407 2.171 20 0 BEADHO CCC(CC)C[NH2+][C@]12CCC[C@@H]1NCC2 ZINC000873229813 590002393 /nfs/dbraw/zinc/00/23/93/590002393.db2.gz GJORUKXVMMZFSP-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO COCC(C)(C)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000873279828 590018062 /nfs/dbraw/zinc/01/80/62/590018062.db2.gz MHLSDMDNXYNZIY-CHWSQXEVSA-N 1 3 242.407 2.027 20 0 BEADHO C[N@@H+]1CC[C@@H]2CN(CC3(C)CCC3)CC[C@@H]21 ZINC000877738384 590404281 /nfs/dbraw/zinc/40/42/81/590404281.db2.gz BIZNZLSLIKUGBS-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CC[C@@H]2CN(CC3(C)CCC3)CC[C@@H]21 ZINC000877738384 590404284 /nfs/dbraw/zinc/40/42/84/590404284.db2.gz BIZNZLSLIKUGBS-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743494 590412007 /nfs/dbraw/zinc/41/20/07/590412007.db2.gz WJSQAVRBSNHSPY-HZPDHXFCSA-N 1 3 244.382 2.255 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743494 590412009 /nfs/dbraw/zinc/41/20/09/590412009.db2.gz WJSQAVRBSNHSPY-HZPDHXFCSA-N 1 3 244.382 2.255 20 0 BEADHO C=C/C=C/CC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000878167688 590513741 /nfs/dbraw/zinc/51/37/41/590513741.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C/CC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000878167688 590513744 /nfs/dbraw/zinc/51/37/44/590513744.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C/CCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000878167688 590513745 /nfs/dbraw/zinc/51/37/45/590513745.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C/CCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167688 590513748 /nfs/dbraw/zinc/51/37/48/590513748.db2.gz XTAQYJGBDQPQLC-UZYOAWRESA-N 1 3 222.376 2.392 20 0 BEADHO CC(C)C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880261078 590980794 /nfs/dbraw/zinc/98/07/94/590980794.db2.gz HVGCZWIWJRSAEF-CYBMUJFWSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880261078 590980797 /nfs/dbraw/zinc/98/07/97/590980797.db2.gz HVGCZWIWJRSAEF-CYBMUJFWSA-N 1 3 233.359 2.248 20 0 BEADHO CC[C@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473799 591037600 /nfs/dbraw/zinc/03/76/00/591037600.db2.gz OVQGJRYAQTZDJR-LBPRGKRZSA-N 1 3 210.365 2.345 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCNCC1)C2 ZINC000129220548 591270543 /nfs/dbraw/zinc/27/05/43/591270543.db2.gz AESJTXFICXVWMF-HZPDHXFCSA-N 1 3 244.382 2.276 20 0 BEADHO [NH3+]C[C@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883417169 591653017 /nfs/dbraw/zinc/65/30/17/591653017.db2.gz PUBFCCGRABVPQD-MNOVXSKESA-N 1 3 232.318 2.093 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCCC(C)(C)O1 ZINC000883418698 591654155 /nfs/dbraw/zinc/65/41/55/591654155.db2.gz PEJQLMNOYQIHBC-TZMCWYRMSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CCC2(CCC2)O1 ZINC000883418834 591654265 /nfs/dbraw/zinc/65/42/65/591654265.db2.gz SZGPHRVQSRQGAZ-STQMWFEESA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CCCC(C)(C)O1 ZINC000883418695 591654837 /nfs/dbraw/zinc/65/48/37/591654837.db2.gz PEJQLMNOYQIHBC-GXTWGEPZSA-N 1 3 242.407 2.297 20 0 BEADHO C=C/C=C\CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883429910 591662211 /nfs/dbraw/zinc/66/22/11/591662211.db2.gz HZRJEFBBPYKIBK-VQTKUKTRSA-N 1 3 220.360 2.194 20 0 BEADHO C[NH2+]CCCN(C)CC[C@@H]1CCCC1(F)F ZINC000883433592 591664790 /nfs/dbraw/zinc/66/47/90/591664790.db2.gz UWEOUYXOESHOEZ-NSHDSACASA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883433592 591664791 /nfs/dbraw/zinc/66/47/91/591664791.db2.gz UWEOUYXOESHOEZ-NSHDSACASA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000883433592 591664795 /nfs/dbraw/zinc/66/47/95/591664795.db2.gz UWEOUYXOESHOEZ-NSHDSACASA-N 1 3 234.334 2.353 20 0 BEADHO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@H]1CCCNC1 ZINC000132111298 591687888 /nfs/dbraw/zinc/68/78/88/591687888.db2.gz RMBALCRMIDJFKC-MGWQBKBZSA-N 1 3 248.414 2.400 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCC1 ZINC000887132840 592449314 /nfs/dbraw/zinc/44/93/14/592449314.db2.gz OKITZONQYXIDDT-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CCC1 ZINC000887132840 592449317 /nfs/dbraw/zinc/44/93/17/592449317.db2.gz OKITZONQYXIDDT-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000300392902 592509800 /nfs/dbraw/zinc/50/98/00/592509800.db2.gz WBUCLRYCJBAAIB-FIQHERPVSA-N 1 3 228.405 2.130 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000300387868 592510028 /nfs/dbraw/zinc/51/00/28/592510028.db2.gz NHDAINSJQPXXNM-WUHRBBMRSA-N 1 3 242.432 2.378 20 0 BEADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000300999286 592526935 /nfs/dbraw/zinc/52/69/35/592526935.db2.gz VNOWWHMBAZWWCX-GHMZBOCLSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300999286 592526937 /nfs/dbraw/zinc/52/69/37/592526937.db2.gz VNOWWHMBAZWWCX-GHMZBOCLSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300999286 592526939 /nfs/dbraw/zinc/52/69/39/592526939.db2.gz VNOWWHMBAZWWCX-GHMZBOCLSA-N 1 3 232.318 2.093 20 0 BEADHO C[C@]1(CC[NH2+][C@H]2CCNC23CCC3)CC1(F)F ZINC000925709006 634404453 /nfs/dbraw/zinc/40/44/53/634404453.db2.gz NFABHHGITHXFHG-QWRGUYRKSA-N 1 3 244.329 2.296 20 0 BEADHO COCc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093215211 634463701 /nfs/dbraw/zinc/46/37/01/634463701.db2.gz MFWANOTZGAZYPG-CABCVRRESA-N 1 3 248.370 2.193 20 0 BEADHO FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925831624 635473737 /nfs/dbraw/zinc/47/37/37/635473737.db2.gz KIMCLULEQHKFEV-AEJSXWLSSA-N 1 3 248.292 2.059 20 0 BEADHO C[C@H](N[C@@H]1CCS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000925861591 635556079 /nfs/dbraw/zinc/55/60/79/635556079.db2.gz QJQXRVLDKSDYJN-YVECIDJPSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@@H](N[C@@H]1CCS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000925861584 635557269 /nfs/dbraw/zinc/55/72/69/635557269.db2.gz QJQXRVLDKSDYJN-FDYHWXHSSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H](C[N@@H+]1CCC[C@@H](CN)C1)C(C)(C)C ZINC000308839011 631899231 /nfs/dbraw/zinc/89/92/31/631899231.db2.gz XUZNTULKTWUHMB-NEPJUHHUSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H](C[N@H+]1CCC[C@@H](CN)C1)C(C)(C)C ZINC000308839011 631899235 /nfs/dbraw/zinc/89/92/35/631899235.db2.gz XUZNTULKTWUHMB-NEPJUHHUSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@]2(C)CCCNC2)C1 ZINC000219751097 632562070 /nfs/dbraw/zinc/56/20/70/632562070.db2.gz STIHNLVQLMFBQI-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO CCC1(C)CC[NH+](C[C@H](N)CC(F)F)CC1 ZINC000309317364 632930198 /nfs/dbraw/zinc/93/01/98/632930198.db2.gz PLEBCDDDCXMXSU-SNVBAGLBSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@@H]1CCN(CCc2cccs2)C[C@@H]1C[NH3+] ZINC000167664556 633131144 /nfs/dbraw/zinc/13/11/44/633131144.db2.gz YXIKOPUIGYRLET-NEPJUHHUSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H]1CC[N@H+](CCc2cccs2)C[C@@H]1CN ZINC000167664556 633131147 /nfs/dbraw/zinc/13/11/47/633131147.db2.gz YXIKOPUIGYRLET-NEPJUHHUSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@@H]1CC[N@@H+](CCc2cccs2)C[C@@H]1CN ZINC000167664556 633131148 /nfs/dbraw/zinc/13/11/48/633131148.db2.gz YXIKOPUIGYRLET-NEPJUHHUSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@H](CC[NH2+][C@@H](C)C1CC(F)(F)C1)N(C)C ZINC000895291033 636131265 /nfs/dbraw/zinc/13/12/65/636131265.db2.gz YQDMKQXVHUGFLS-ZJUUUORDSA-N 1 3 234.334 2.350 20 0 BEADHO Cc1ccc(CC[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000895291921 636132342 /nfs/dbraw/zinc/13/23/42/636132342.db2.gz KFTRKMZDUMGEJS-AWEZNQCLSA-N 1 3 234.387 2.467 20 0 BEADHO CC[C@H](C)C[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328239238 633747423 /nfs/dbraw/zinc/74/74/23/633747423.db2.gz AQORXONMTIEWKH-SFWGVHFYSA-N 1 3 236.403 2.397 20 0 BEADHO CCC(C)(C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328460803 633766821 /nfs/dbraw/zinc/76/68/21/633766821.db2.gz UNMIBZFSQFCIHR-OBPIAQAESA-N 1 3 222.376 2.009 20 0 BEADHO CCC1(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925581045 634085420 /nfs/dbraw/zinc/08/54/20/634085420.db2.gz VBWBDQGCLZCBFG-NSHDSACASA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1Cc2ccccc2C1 ZINC000925602213 634129531 /nfs/dbraw/zinc/12/95/31/634129531.db2.gz RLYYFKFPMNUXGD-LRDDRELGSA-N 1 3 244.382 2.132 20 0 BEADHO C1CC(C2(N[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CCC2)C1 ZINC000925684372 634294174 /nfs/dbraw/zinc/29/41/74/634294174.db2.gz ALCCQQFBTWQFEM-RCZQDCHWSA-N 1 3 246.398 2.295 20 0 BEADHO C[N@H+](CCc1cccc(F)c1)CC(C)(C)CN ZINC000258703744 635190654 /nfs/dbraw/zinc/19/06/54/635190654.db2.gz HBCFLXKEIKZXTD-UHFFFAOYSA-N 1 3 238.350 2.285 20 0 BEADHO C[N@@H+](CCc1cccc(F)c1)CC(C)(C)CN ZINC000258703744 635190659 /nfs/dbraw/zinc/19/06/59/635190659.db2.gz HBCFLXKEIKZXTD-UHFFFAOYSA-N 1 3 238.350 2.285 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000925782573 635278659 /nfs/dbraw/zinc/27/86/59/635278659.db2.gz LFUJWJYVAUJIEK-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO COC[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)C(C)C ZINC000925874404 635594790 /nfs/dbraw/zinc/59/47/90/635594790.db2.gz RKCNJGZZEZPBHY-HZSPNIEDSA-N 1 3 242.407 2.025 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(F)c2)C1 ZINC000086402571 636886519 /nfs/dbraw/zinc/88/65/19/636886519.db2.gz HLGJHGLYWZBHLJ-QWHCGFSZSA-N 1 3 222.307 2.185 20 0 BEADHO CSCC[C@H](C)N(C)CCC[NH2+]C1CC1 ZINC000156910703 637084429 /nfs/dbraw/zinc/08/44/29/637084429.db2.gz PZOUPIOWRUKOQQ-NSHDSACASA-N 1 3 230.421 2.202 20 0 BEADHO CSCC[C@H](C)[N@H+](C)CCCNC1CC1 ZINC000156910703 637084431 /nfs/dbraw/zinc/08/44/31/637084431.db2.gz PZOUPIOWRUKOQQ-NSHDSACASA-N 1 3 230.421 2.202 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)CCCNC1CC1 ZINC000156910703 637084437 /nfs/dbraw/zinc/08/44/37/637084437.db2.gz PZOUPIOWRUKOQQ-NSHDSACASA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H]1CCC[NH2+]1 ZINC000903436752 637360341 /nfs/dbraw/zinc/36/03/41/637360341.db2.gz BFWRXEQQTZLPQR-RQJABVFESA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H](C[NH2+]C1CC(N)C1)c1ccccc1 ZINC000906509205 638181506 /nfs/dbraw/zinc/18/15/06/638181506.db2.gz AKNRPROZUPCGMU-LMWSTFAQSA-N 1 3 218.344 2.260 20 0 BEADHO CC[C@H](CNC1CC([NH3+])C1)c1ccccc1 ZINC000906509205 638181509 /nfs/dbraw/zinc/18/15/09/638181509.db2.gz AKNRPROZUPCGMU-LMWSTFAQSA-N 1 3 218.344 2.260 20 0 BEADHO NC1CC([NH2+]CCC2CCCCCC2)C1 ZINC000906511034 638184290 /nfs/dbraw/zinc/18/42/90/638184290.db2.gz QMQCQKILQXJDPM-UHFFFAOYSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@H](CNC1CC([NH3+])C1)c1ccc(F)cc1 ZINC000906510563 638184375 /nfs/dbraw/zinc/18/43/75/638184375.db2.gz LSTSCBWGSXOMJP-UHEGKEBESA-N 1 3 222.307 2.009 20 0 BEADHO C[C@H](C[NH2+]C1CC(N)C1)c1ccc(F)cc1 ZINC000906510563 638184381 /nfs/dbraw/zinc/18/43/81/638184381.db2.gz LSTSCBWGSXOMJP-UHEGKEBESA-N 1 3 222.307 2.009 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CCCCCOc2ccccc2)C1 ZINC000906518014 638187327 /nfs/dbraw/zinc/18/73/27/638187327.db2.gz NANVSYSEHRTACQ-HDJSIYSDSA-N 1 3 248.370 2.315 20 0 BEADHO C[C@@H](CN[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000906517978 638187390 /nfs/dbraw/zinc/18/73/90/638187390.db2.gz LSTSCBWGSXOMJP-XDTLVQLUSA-N 1 3 222.307 2.009 20 0 BEADHO C[C@@H](C[NH2+][C@H]1C[C@H](N)C1)c1ccc(F)cc1 ZINC000906517978 638187392 /nfs/dbraw/zinc/18/73/92/638187392.db2.gz LSTSCBWGSXOMJP-XDTLVQLUSA-N 1 3 222.307 2.009 20 0 BEADHO CN(C)C1(C)CC[NH+](C2CCCC2)CC1 ZINC000931353239 640168303 /nfs/dbraw/zinc/16/83/03/640168303.db2.gz BTWYCWUJOIXHPB-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO C[NH+](C)C1(C)CCN(C2CCCC2)CC1 ZINC000931353239 640168310 /nfs/dbraw/zinc/16/83/10/640168310.db2.gz BTWYCWUJOIXHPB-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO CC[C@@H]1C[C@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931357294 640171000 /nfs/dbraw/zinc/17/10/00/640171000.db2.gz VCLGQYJAYSFRGB-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931357294 640171005 /nfs/dbraw/zinc/17/10/05/640171005.db2.gz VCLGQYJAYSFRGB-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)C[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435859 640203950 /nfs/dbraw/zinc/20/39/50/640203950.db2.gz DYCKRVVAAYYIBG-HZSPNIEDSA-N 1 3 224.392 2.305 20 0 BEADHO CC(C)C[C@@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435859 640203954 /nfs/dbraw/zinc/20/39/54/640203954.db2.gz DYCKRVVAAYYIBG-HZSPNIEDSA-N 1 3 224.392 2.305 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000226564327 640776347 /nfs/dbraw/zinc/77/63/47/640776347.db2.gz IWKCFUXWOQMEID-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000226564327 640776351 /nfs/dbraw/zinc/77/63/51/640776351.db2.gz IWKCFUXWOQMEID-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229064963 640919570 /nfs/dbraw/zinc/91/95/70/640919570.db2.gz HGWYNHIXNXPMCB-HIFRSBDPSA-N 1 3 232.371 2.412 20 0 BEADHO CCC[C@H](C)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862078 641100408 /nfs/dbraw/zinc/10/04/08/641100408.db2.gz LUXODJLMFNOTAY-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](C)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862078 641100411 /nfs/dbraw/zinc/10/04/11/641100411.db2.gz LUXODJLMFNOTAY-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](C1CC1)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862059 641100447 /nfs/dbraw/zinc/10/04/47/641100447.db2.gz NRYXWBRWGQJGMK-WCQYABFASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H](C1CC1)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862059 641100451 /nfs/dbraw/zinc/10/04/51/641100451.db2.gz NRYXWBRWGQJGMK-WCQYABFASA-N 1 3 210.365 2.106 20 0 BEADHO CCC[N@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000062861934 641100824 /nfs/dbraw/zinc/10/08/24/641100824.db2.gz RYYOQQMTKRYDPI-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CCC[N@@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000062861934 641100829 /nfs/dbraw/zinc/10/08/29/641100829.db2.gz RYYOQQMTKRYDPI-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CCCN(C[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000062861934 641100833 /nfs/dbraw/zinc/10/08/33/641100833.db2.gz RYYOQQMTKRYDPI-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000232773326 641570658 /nfs/dbraw/zinc/57/06/58/641570658.db2.gz ZXMPPKZCOLCJJP-NWDGAFQWSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925472194 642391345 /nfs/dbraw/zinc/39/13/45/642391345.db2.gz AYURWSFHGMQMMW-RZFFKMDDSA-N 1 3 236.403 2.400 20 0 BEADHO C[C@H]1CC[N@H+](CC2CCCCC2)C[C@H]1CN ZINC000253237394 642631919 /nfs/dbraw/zinc/63/19/19/642631919.db2.gz OWAHAIVCQBLUKP-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1CN ZINC000253237394 642631925 /nfs/dbraw/zinc/63/19/25/642631925.db2.gz OWAHAIVCQBLUKP-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000233777600 642695129 /nfs/dbraw/zinc/69/51/29/642695129.db2.gz KRWKKMIULPQXPY-NEPJUHHUSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1nccs1 ZINC000070733415 643068104 /nfs/dbraw/zinc/06/81/04/643068104.db2.gz LRIJZASONZCBPE-SNVBAGLBSA-N 1 3 227.377 2.313 20 0 BEADHO C[C@@H]1CC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000253310286 643191905 /nfs/dbraw/zinc/19/19/05/643191905.db2.gz UDXLALDOCZBSJW-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@]2(C)CCCNC2)CC1 ZINC000082491037 643325978 /nfs/dbraw/zinc/32/59/78/643325978.db2.gz VXOJCELMRUMVMI-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)CC1 ZINC000082491037 643325981 /nfs/dbraw/zinc/32/59/81/643325981.db2.gz VXOJCELMRUMVMI-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000084215367 643550706 /nfs/dbraw/zinc/55/07/06/643550706.db2.gz UZWDNUCEGSYSIH-DGCLKSJQSA-N 1 3 210.365 2.426 20 0 BEADHO CC1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000084217600 643650161 /nfs/dbraw/zinc/65/01/61/643650161.db2.gz HAOOSEZGYOBHKQ-MVKMKZAISA-N 1 3 210.365 2.282 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000084218025 643650518 /nfs/dbraw/zinc/65/05/18/643650518.db2.gz FWRCVRNRZGGPKZ-YPMHNXCESA-N 1 3 210.365 2.426 20 0 BEADHO CC[C@@H](C)C[N@H+](CC)CCCNC1CC1 ZINC000086437503 644133980 /nfs/dbraw/zinc/13/39/80/644133980.db2.gz AQKVJQJPXSFKLR-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)C[N@@H+](CC)CCCNC1CC1 ZINC000086437503 644133983 /nfs/dbraw/zinc/13/39/83/644133983.db2.gz AQKVJQJPXSFKLR-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000194261442 644311439 /nfs/dbraw/zinc/31/14/39/644311439.db2.gz SGNLVVLKHPCFDX-KBPBESRZSA-N 1 3 238.375 2.001 20 0 BEADHO CCC[N@H+]1CC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000194261442 644311449 /nfs/dbraw/zinc/31/14/49/644311449.db2.gz SGNLVVLKHPCFDX-KBPBESRZSA-N 1 3 238.375 2.001 20 0 BEADHO CC(C)CC[C@@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000923298988 644337858 /nfs/dbraw/zinc/33/78/58/644337858.db2.gz VWERRYRLOORYNW-KGLIPLIRSA-N 1 3 244.423 2.089 20 0 BEADHO COCC[N@H+](CCCNC1CC1)C1CCCC1 ZINC000923311554 644345633 /nfs/dbraw/zinc/34/56/33/644345633.db2.gz ZRVODRLCFRVNRG-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO COCC[N@@H+](CCCNC1CC1)C1CCCC1 ZINC000923311554 644345639 /nfs/dbraw/zinc/34/56/39/644345639.db2.gz ZRVODRLCFRVNRG-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO COCCN(CCC[NH2+]C1CC1)C1CCCC1 ZINC000923311554 644345644 /nfs/dbraw/zinc/34/56/44/644345644.db2.gz ZRVODRLCFRVNRG-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO CCCCCC[C@H](O)CN1CCC(C)([NH3+])CC1 ZINC000923346309 644365113 /nfs/dbraw/zinc/36/51/13/644365113.db2.gz PDJYFSZMJLWLES-ZDUSSCGKSA-N 1 3 242.407 2.131 20 0 BEADHO C[C@H]1CN(CC2CCC3(CC3)CC2)C[C@H]1[NH3+] ZINC000923365559 644375412 /nfs/dbraw/zinc/37/54/12/644375412.db2.gz FXYOPPCJFRBJHW-WCQYABFASA-N 1 3 222.376 2.236 20 0 BEADHO CC1(C)C(C[NH2+][C@H]2CCC[C@@H]2CN)C1(C)C ZINC000086239369 644457943 /nfs/dbraw/zinc/45/79/43/644457943.db2.gz OPBQTRQDAUQQDK-MNOVXSKESA-N 1 3 224.392 2.386 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923530668 644487413 /nfs/dbraw/zinc/48/74/13/644487413.db2.gz MBMPRGYASYSCGP-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923530668 644487421 /nfs/dbraw/zinc/48/74/21/644487421.db2.gz MBMPRGYASYSCGP-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO C(C1CCC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923533667 644490142 /nfs/dbraw/zinc/49/01/42/644490142.db2.gz MTGZQSZLXGZMRP-CYBMUJFWSA-N 1 3 208.349 2.005 20 0 BEADHO C(C1CCC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923533667 644490148 /nfs/dbraw/zinc/49/01/48/644490148.db2.gz MTGZQSZLXGZMRP-CYBMUJFWSA-N 1 3 208.349 2.005 20 0 BEADHO COCc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093215209 644682497 /nfs/dbraw/zinc/68/24/97/644682497.db2.gz MFWANOTZGAZYPG-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000249035448 644709518 /nfs/dbraw/zinc/70/95/18/644709518.db2.gz SGNLVVLKHPCFDX-UONOGXRCSA-N 1 3 238.375 2.001 20 0 BEADHO CCC[N@H+]1CC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000249035448 644709522 /nfs/dbraw/zinc/70/95/22/644709522.db2.gz SGNLVVLKHPCFDX-UONOGXRCSA-N 1 3 238.375 2.001 20 0 BEADHO C[C@H](Cc1ccco1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250981191 644788265 /nfs/dbraw/zinc/78/82/65/644788265.db2.gz IXQPFNUDQZJJIQ-RDBSUJKOSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccco1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250981191 644788269 /nfs/dbraw/zinc/78/82/69/644788269.db2.gz IXQPFNUDQZJJIQ-RDBSUJKOSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccc(O)c1 ZINC000251554833 644809238 /nfs/dbraw/zinc/80/92/38/644809238.db2.gz REHLVQKFVNCCTM-VHRBIJSZSA-N 1 3 234.343 2.170 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@H]1C ZINC000252751884 644899297 /nfs/dbraw/zinc/89/92/97/644899297.db2.gz XCCWNUHXDJDGHV-RFGFWPKPSA-N 1 3 240.391 2.064 20 0 BEADHO CCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925487333 645466244 /nfs/dbraw/zinc/46/62/44/645466244.db2.gz CIAUVUZZQVLPHM-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925493395 646299497 /nfs/dbraw/zinc/29/94/97/646299497.db2.gz XMMJOLSBMOSNJY-CABNGKKXSA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccnc2)C1 ZINC000925494065 646302241 /nfs/dbraw/zinc/30/22/41/646302241.db2.gz MZNDAPHUPGHAGB-CHWSQXEVSA-N 1 3 233.359 2.077 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC000929792368 646320244 /nfs/dbraw/zinc/32/02/44/646320244.db2.gz ZIZJWOZUKFQNFS-ROKHWSDSSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC000929792368 646320253 /nfs/dbraw/zinc/32/02/53/646320253.db2.gz ZIZJWOZUKFQNFS-ROKHWSDSSA-N 1 3 224.392 2.306 20 0 BEADHO CC1(C)[C@H]([NH2+]CCC2CC2)[C@@H]2CCCN[C@@H]21 ZINC000925575252 646341274 /nfs/dbraw/zinc/34/12/74/646341274.db2.gz YSDZQSPPURFADK-FRRDWIJNSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925579674 646344367 /nfs/dbraw/zinc/34/43/67/646344367.db2.gz NUUFCDZTZBEJJU-LBPRGKRZSA-N 1 3 222.376 2.297 20 0 BEADHO CS[C@H](C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925588371 646348443 /nfs/dbraw/zinc/34/84/43/646348443.db2.gz WJIZYLZXXSDAMR-WYUUTHIRSA-N 1 3 242.432 2.104 20 0 BEADHO CS[C@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925588371 646348451 /nfs/dbraw/zinc/34/84/51/646348451.db2.gz WJIZYLZXXSDAMR-WYUUTHIRSA-N 1 3 242.432 2.104 20 0 BEADHO C[C@@H]([NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000925589626 646348817 /nfs/dbraw/zinc/34/88/17/646348817.db2.gz ZTVXILKERKCTKW-XEZLXBQYSA-N 1 3 222.376 2.151 20 0 BEADHO CS[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925588370 646349196 /nfs/dbraw/zinc/34/91/96/646349196.db2.gz WJIZYLZXXSDAMR-WHOHXGKFSA-N 1 3 242.432 2.104 20 0 BEADHO CS[C@@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925588370 646349201 /nfs/dbraw/zinc/34/92/01/646349201.db2.gz WJIZYLZXXSDAMR-WHOHXGKFSA-N 1 3 242.432 2.104 20 0 BEADHO C[C@@H]([NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000925589623 646349273 /nfs/dbraw/zinc/34/92/73/646349273.db2.gz ZTVXILKERKCTKW-FOUMNBMASA-N 1 3 222.376 2.151 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925597990 646350650 /nfs/dbraw/zinc/35/06/50/646350650.db2.gz ZRGRVGDJABHNRD-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2ccco2)C1 ZINC000925611292 646360947 /nfs/dbraw/zinc/36/09/47/646360947.db2.gz LUICVKWAQFABPO-RYUDHWBXSA-N 1 3 236.359 2.318 20 0 BEADHO C1=CC[C@H](C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925618860 646364819 /nfs/dbraw/zinc/36/48/19/646364819.db2.gz YQMICPZXFDFKHX-STQMWFEESA-N 1 3 220.360 2.217 20 0 BEADHO FCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925621066 646368510 /nfs/dbraw/zinc/36/85/10/646368510.db2.gz YHEWPQARQHKHSR-CHWSQXEVSA-N 1 3 228.355 2.104 20 0 BEADHO CC(C)[NH2+]C1CCN([C@@H](C)C2CC2)CC1 ZINC000929962398 646378549 /nfs/dbraw/zinc/37/85/49/646378549.db2.gz SZOGQSAQWHEEDH-NSHDSACASA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925633687 646378613 /nfs/dbraw/zinc/37/86/13/646378613.db2.gz GFXOJCJVTNDYLJ-CYBMUJFWSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925656160 646394372 /nfs/dbraw/zinc/39/43/72/646394372.db2.gz VZBBZGHBNMTJBB-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO [NH3+][C@H]1C[C@H](NCC2(C(F)(F)F)CC2)C12CCC2 ZINC000925673872 646403118 /nfs/dbraw/zinc/40/31/18/646403118.db2.gz ZJMVQAYFEKCZHG-IUCAKERBSA-N 1 3 248.292 2.188 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000925686004 646413044 /nfs/dbraw/zinc/41/30/44/646413044.db2.gz PGSMOFJSPHHLRY-RNJOBUHISA-N 1 3 220.360 2.049 20 0 BEADHO FC1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925714557 646438123 /nfs/dbraw/zinc/43/81/23/646438123.db2.gz ZLQVDUSCCSPOIY-BPCQOVAHSA-N 1 3 240.366 2.389 20 0 BEADHO C/C=C\CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925720119 646444588 /nfs/dbraw/zinc/44/45/88/646444588.db2.gz WPZIOCUAPOHMQF-DTSKHDKYSA-N 1 3 222.376 2.320 20 0 BEADHO C(C[C@H]1CCSC1)[NH2+][C@H]1CCNC12CCC2 ZINC000925724805 646449083 /nfs/dbraw/zinc/44/90/83/646449083.db2.gz NFKSQEZRYFVIGK-RYUDHWBXSA-N 1 3 240.416 2.004 20 0 BEADHO CC(C)(F)CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925723878 646449807 /nfs/dbraw/zinc/44/98/07/646449807.db2.gz DDXJPGPQWXTNOJ-NXEZZACHSA-N 1 3 216.344 2.230 20 0 BEADHO C(C[C@@H]1CCSC1)[NH2+][C@H]1CCNC12CCC2 ZINC000925724801 646449957 /nfs/dbraw/zinc/44/99/57/646449957.db2.gz NFKSQEZRYFVIGK-NEPJUHHUSA-N 1 3 240.416 2.004 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)CC(F)F ZINC000925735362 646453751 /nfs/dbraw/zinc/45/37/51/646453751.db2.gz ZMIVAINKEQEYGS-UWVGGRQHSA-N 1 3 234.334 2.385 20 0 BEADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000925764976 646467200 /nfs/dbraw/zinc/46/72/00/646467200.db2.gz LDESUPJCBZRINP-FQUUOJAGSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@@H](NC[C@@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000925771314 646471336 /nfs/dbraw/zinc/47/13/36/646471336.db2.gz ATAGNTRXLCHCLL-YRKSKIDTSA-N 1 3 236.403 2.399 20 0 BEADHO CC[C@@H](NCC[C@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000925773692 646474070 /nfs/dbraw/zinc/47/40/70/646474070.db2.gz FNUOYXRBACWPRI-MGPQQGTHSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H](CCCC[NH3+])NCc1cc(C2CC2)no1 ZINC000925775059 646474760 /nfs/dbraw/zinc/47/47/60/646474760.db2.gz ZNPDUFOYLQGFBL-JTQLQIEISA-N 1 3 237.347 2.159 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000925782444 646479461 /nfs/dbraw/zinc/47/94/61/646479461.db2.gz GMPHLOCSBCCGAV-WHOHXGKFSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1NC1[C@@H](C)CCC[C@@H]1C ZINC000925786110 646483271 /nfs/dbraw/zinc/48/32/71/646483271.db2.gz NYILBJNHHPPZDD-NNYUYHANSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000925786110 646483276 /nfs/dbraw/zinc/48/32/76/646483276.db2.gz NYILBJNHHPPZDD-NNYUYHANSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1cccc2c1CC[C@@H]2NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925790836 646485142 /nfs/dbraw/zinc/48/51/42/646485142.db2.gz LCTBADUKPGBELD-WWGRRREGSA-N 1 3 244.382 2.427 20 0 BEADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)C(C)C ZINC000925875109 646526538 /nfs/dbraw/zinc/52/65/38/646526538.db2.gz ZRAWAQILYCUPEK-HZSPNIEDSA-N 1 3 242.407 2.012 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@]12C[C@H]1CCC2 ZINC000925879993 646528723 /nfs/dbraw/zinc/52/87/23/646528723.db2.gz FSKQUPNVCNZWMD-UPJWGTAASA-N 1 3 220.360 2.051 20 0 BEADHO C(C1CCCC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000257644388 711721129 /nfs/dbraw/zinc/72/11/29/711721129.db2.gz BSCDKGGUBMQOAC-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO C(C1CCCC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000257644388 711721131 /nfs/dbraw/zinc/72/11/31/711721131.db2.gz BSCDKGGUBMQOAC-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000721903359 711813348 /nfs/dbraw/zinc/81/33/48/711813348.db2.gz ICJJBQHLXTUZHK-PRULPYPASA-N 1 3 210.365 2.009 20 0 BEADHO CSC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000229083508 711837583 /nfs/dbraw/zinc/83/75/83/711837583.db2.gz DKWQBQAFSMAKRA-MNOVXSKESA-N 1 3 230.421 2.235 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000708208569 712184098 /nfs/dbraw/zinc/18/40/98/712184098.db2.gz YKJLQUOWKUPZSJ-AAVRWANBSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000708208569 712184100 /nfs/dbraw/zinc/18/41/00/712184100.db2.gz YKJLQUOWKUPZSJ-AAVRWANBSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329099 712187194 /nfs/dbraw/zinc/18/71/94/712187194.db2.gz BFSIWOOYAHDVDE-RWMBFGLXSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000708329099 712187195 /nfs/dbraw/zinc/18/71/95/712187195.db2.gz BFSIWOOYAHDVDE-RWMBFGLXSA-N 1 3 240.391 2.003 20 0 BEADHO CC(C)[C@@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000709019471 712206138 /nfs/dbraw/zinc/20/61/38/712206138.db2.gz MQJCIZOTSARXET-AWEZNQCLSA-N 1 3 242.407 2.252 20 0 BEADHO C=C/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000713738588 712470586 /nfs/dbraw/zinc/47/05/86/712470586.db2.gz FUUFJUFUTBMFJF-NMEQGOOXSA-N 1 3 220.360 2.180 20 0 BEADHO C=C/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000713738588 712470588 /nfs/dbraw/zinc/47/05/88/712470588.db2.gz FUUFJUFUTBMFJF-NMEQGOOXSA-N 1 3 220.360 2.180 20 0 BEADHO C=C/C=C\CC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000713735222 712470381 /nfs/dbraw/zinc/47/03/81/712470381.db2.gz NIMNBNQVYKRJBF-OEFFGFFESA-N 1 3 208.349 2.035 20 0 BEADHO C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000713735222 712470382 /nfs/dbraw/zinc/47/03/82/712470382.db2.gz NIMNBNQVYKRJBF-OEFFGFFESA-N 1 3 208.349 2.035 20 0 BEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1cccs1 ZINC000717310731 712646156 /nfs/dbraw/zinc/64/61/56/712646156.db2.gz UQRMSDXKSGBDSZ-SECBINFHSA-N 1 3 246.326 2.083 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000379998801 712651656 /nfs/dbraw/zinc/65/16/56/712651656.db2.gz LIUIRKUBVWPABZ-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CC(F)(F)CCCN1CCC[C@H](C[NH3+])C1 ZINC000718570712 712774696 /nfs/dbraw/zinc/77/46/96/712774696.db2.gz KKNRIBJQRJOSPO-SNVBAGLBSA-N 1 3 220.307 2.093 20 0 BEADHO C[C@H]1CCN(CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718570268 712775254 /nfs/dbraw/zinc/77/52/54/712775254.db2.gz JJFKHMLOJIXFSL-WDEREUQCSA-N 1 3 234.334 2.339 20 0 BEADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000718845829 712786065 /nfs/dbraw/zinc/78/60/65/712786065.db2.gz XJVJNUBIDHMDND-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000381531626 710651480 /nfs/dbraw/zinc/65/14/80/710651480.db2.gz ZIPXNWAKXMKKGR-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@H]1C)CN1CCCC1 ZINC000393727813 710670706 /nfs/dbraw/zinc/67/07/06/710670706.db2.gz APFGDIIJNQNMRP-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1cscn1 ZINC000722529116 710715600 /nfs/dbraw/zinc/71/56/00/710715600.db2.gz LDQUVBRFNYCGSP-OUAUKWLOSA-N 1 3 239.388 2.039 20 0 BEADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1cscn1 ZINC000722529115 710716083 /nfs/dbraw/zinc/71/60/83/710716083.db2.gz LDQUVBRFNYCGSP-GMTAPVOTSA-N 1 3 239.388 2.039 20 0 BEADHO C[C@H]([N@H+](C)C[C@]1(C)CCCNC1)C1(C)CC1 ZINC000385467756 711013649 /nfs/dbraw/zinc/01/36/49/711013649.db2.gz ORWSYBSOILDMJJ-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([N@@H+](C)C[C@]1(C)CCCNC1)C1(C)CC1 ZINC000385467756 711013652 /nfs/dbraw/zinc/01/36/52/711013652.db2.gz ORWSYBSOILDMJJ-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000385793972 711018113 /nfs/dbraw/zinc/01/81/13/711018113.db2.gz FMHPKKGVMWYSRC-LBPRGKRZSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000392816594 711152560 /nfs/dbraw/zinc/15/25/60/711152560.db2.gz ANNOJOUXQBLVBW-QLMDPUNJSA-N 1 3 234.387 2.151 20 0 BEADHO CC1(C)CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392859072 711153243 /nfs/dbraw/zinc/15/32/43/711153243.db2.gz DGEDSFVGFFMQPT-SNIKSBKOSA-N 1 3 234.387 2.151 20 0 BEADHO CC(C)(C)CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392832584 711153469 /nfs/dbraw/zinc/15/34/69/711153469.db2.gz IILKKDWLCJDWNA-NWBUJAPZSA-N 1 3 222.376 2.009 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CCCC1CC1 ZINC000394502772 711193509 /nfs/dbraw/zinc/19/35/09/711193509.db2.gz RPYVCTHWZWBEFJ-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CCCC1CC1 ZINC000394502772 711193511 /nfs/dbraw/zinc/19/35/11/711193511.db2.gz RPYVCTHWZWBEFJ-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@H]1C[N@H+](CCCC2CC2)CC[C@H]1N ZINC000394569089 711195627 /nfs/dbraw/zinc/19/56/27/711195627.db2.gz PDFMDFMPYRTMJC-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CCCC2CC2)CC[C@H]1N ZINC000394569089 711195629 /nfs/dbraw/zinc/19/56/29/711195629.db2.gz PDFMDFMPYRTMJC-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1CN(CCCC2CC2)CC[C@H]1[NH3+] ZINC000394569089 711195631 /nfs/dbraw/zinc/19/56/31/711195631.db2.gz PDFMDFMPYRTMJC-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@H+](CCCC2CC2)CC[C@@H]1N ZINC000394569092 711195882 /nfs/dbraw/zinc/19/58/82/711195882.db2.gz PDFMDFMPYRTMJC-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1N ZINC000394569092 711195885 /nfs/dbraw/zinc/19/58/85/711195885.db2.gz PDFMDFMPYRTMJC-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1CN(CCCC2CC2)CC[C@@H]1[NH3+] ZINC000394569092 711195887 /nfs/dbraw/zinc/19/58/87/711195887.db2.gz PDFMDFMPYRTMJC-STQMWFEESA-N 1 3 210.365 2.236 20 0 BEADHO CSC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396541577 711353337 /nfs/dbraw/zinc/35/33/37/711353337.db2.gz ATDKCCVTFAWOSI-GHMZBOCLSA-N 1 3 228.405 2.002 20 0 BEADHO C[C@H]1[NH2+]CCC[C@H]1NCCCC(F)(F)F ZINC000396615733 711361931 /nfs/dbraw/zinc/36/19/31/711361931.db2.gz GEPNKVHGGKTQNG-RKDXNWHRSA-N 1 3 224.270 2.059 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000399010440 711419042 /nfs/dbraw/zinc/41/90/42/711419042.db2.gz AOJKZDOANIEESG-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@]1(C)CCCNC1 ZINC000399010440 711419046 /nfs/dbraw/zinc/41/90/46/711419046.db2.gz AOJKZDOANIEESG-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 ZINC000723119091 710725765 /nfs/dbraw/zinc/72/57/65/710725765.db2.gz WPJIOWAVRJUGPP-MROQNXINSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)[C@@H](CC)C1 ZINC000723119091 710725768 /nfs/dbraw/zinc/72/57/68/710725768.db2.gz WPJIOWAVRJUGPP-MROQNXINSA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)C[C@@H]1CCCN1C[C@@H]([NH3+])CC(F)F ZINC000396964929 711373734 /nfs/dbraw/zinc/37/37/34/711373734.db2.gz DCDFVDCNAOAGQH-QWRGUYRKSA-N 1 3 234.334 2.479 20 0 BEADHO CC(C)C[C@@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000396964928 711374129 /nfs/dbraw/zinc/37/41/29/711374129.db2.gz DCDFVDCNAOAGQH-MNOVXSKESA-N 1 3 234.334 2.479 20 0 BEADHO C[C@@H]1CCCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383374305 711646056 /nfs/dbraw/zinc/64/60/56/711646056.db2.gz ZNXOWAFXCQOQNO-MRKIUDBFSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@H]1CCCO1 ZINC000252757543 711651330 /nfs/dbraw/zinc/65/13/30/711651330.db2.gz CBNLGONBJZJDIS-CJYSPXJISA-N 1 3 246.354 2.288 20 0 BEADHO C1CC12CCC[C@@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000925723947 711727087 /nfs/dbraw/zinc/72/70/87/711727087.db2.gz FQVDVSMJRHRJCV-RYUDHWBXSA-N 1 3 220.360 2.193 20 0 BEADHO CC[C@]1(C)CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000399452881 711747438 /nfs/dbraw/zinc/74/74/38/711747438.db2.gz IVVJIJRYMFYLDA-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@]1(C)CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000399452881 711747441 /nfs/dbraw/zinc/74/74/41/711747441.db2.gz IVVJIJRYMFYLDA-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216027 711937989 /nfs/dbraw/zinc/93/79/89/711937989.db2.gz LYDPGWVAMMGFGG-XQQFMLRXSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530216028 711938017 /nfs/dbraw/zinc/93/80/17/711938017.db2.gz LYDPGWVAMMGFGG-YNEHKIRRSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](CC[NH2+]Cc1cccs1)N(C)C ZINC000700489243 711994698 /nfs/dbraw/zinc/99/46/98/711994698.db2.gz PKHYRYLVFMHRIC-SNVBAGLBSA-N 1 3 212.362 2.178 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]1(C)CC1(C)C ZINC000701943821 712032428 /nfs/dbraw/zinc/03/24/28/712032428.db2.gz LPQWDNSXZOUIJP-GVXVVHGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CCCC[N@H+](CCCNC2CC2)C1 ZINC000703659607 712082716 /nfs/dbraw/zinc/08/27/16/712082716.db2.gz BAQDEUCIOQZFBR-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCC[N@@H+](CCCNC2CC2)C1 ZINC000703659607 712082718 /nfs/dbraw/zinc/08/27/18/712082718.db2.gz BAQDEUCIOQZFBR-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO CSC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000706927319 712161478 /nfs/dbraw/zinc/16/14/78/712161478.db2.gz GSQRQQHTWZHUQP-GMKTYKIGSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000706927319 712161479 /nfs/dbraw/zinc/16/14/79/712161479.db2.gz GSQRQQHTWZHUQP-GMKTYKIGSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@H](CC1CCC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000710264556 712250496 /nfs/dbraw/zinc/25/04/96/712250496.db2.gz XBVIBKPAJICNIK-BBAYZTIDSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)N(C)C ZINC000710931261 712266137 /nfs/dbraw/zinc/26/61/37/712266137.db2.gz QINSFXWXPNBOSZ-YIYPIFLZSA-N 1 3 224.392 2.495 20 0 BEADHO C=C/C=C/CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000713640267 712467768 /nfs/dbraw/zinc/46/77/68/712467768.db2.gz FJVKZSNFYFOAIF-DLPZHFSESA-N 1 3 220.360 2.050 20 0 BEADHO CC[C@@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000036770110 712494853 /nfs/dbraw/zinc/49/48/53/712494853.db2.gz NANGEKXMUDYCNI-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO CO[C@H]1C[C@H](CN[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000714708615 712496474 /nfs/dbraw/zinc/49/64/74/712496474.db2.gz WHUPMEWIDANCAV-LWWSYDQCSA-N 1 3 246.354 2.146 20 0 BEADHO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715541796 712526776 /nfs/dbraw/zinc/52/67/76/712526776.db2.gz IOXRAMOWKZHGJM-XDQVBPFNSA-N 1 3 240.391 2.016 20 0 BEADHO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715541798 712526876 /nfs/dbraw/zinc/52/68/76/712526876.db2.gz IOXRAMOWKZHGJM-YIYPIFLZSA-N 1 3 240.391 2.016 20 0 BEADHO CSC1CC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000715545638 712527146 /nfs/dbraw/zinc/52/71/46/712527146.db2.gz ZSKPAEYAKUIIOJ-CQLXCSJHSA-N 1 3 242.432 2.343 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717070358 712628018 /nfs/dbraw/zinc/62/80/18/712628018.db2.gz SFASGJXIUSGEIX-PEDHHIEDSA-N 1 3 222.376 2.140 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccc21 ZINC000380030307 712683603 /nfs/dbraw/zinc/68/36/03/712683603.db2.gz YVCMSVADYWBNMR-NILFDRSVSA-N 1 3 244.338 2.414 20 0 BEADHO CC1(C)C[C@@H](NCCc2ccccn2)C[C@@H]([NH3+])C1 ZINC000925494812 712696293 /nfs/dbraw/zinc/69/62/93/712696293.db2.gz MFWNLYJONDZXAS-OCCSQVGLSA-N 1 3 247.386 2.120 20 0 BEADHO C[C@H](NC1CCC=CCC1)[C@H]1CCC[NH2+]1 ZINC000718020719 712736667 /nfs/dbraw/zinc/73/66/67/712736667.db2.gz VVZIAKPUBUUPTQ-WCQYABFASA-N 1 3 208.349 2.215 20 0 BEADHO Cc1coc(CNCC2(C)CC[NH+](C)CC2)c1 ZINC000718027167 712736754 /nfs/dbraw/zinc/73/67/54/712736754.db2.gz STLYYSKIMSHJCP-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO C1=CCCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000718098091 712742988 /nfs/dbraw/zinc/74/29/88/712742988.db2.gz LSIOTDZKJQJJMA-WPTOEGHWSA-N 1 3 232.371 2.071 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CC1 ZINC000038041776 712801126 /nfs/dbraw/zinc/80/11/26/712801126.db2.gz RPTNWAKTFJXHQR-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000038041116 712801132 /nfs/dbraw/zinc/80/11/32/712801132.db2.gz VANCXQXZPWKDJR-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CSCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000719266158 712802161 /nfs/dbraw/zinc/80/21/61/712802161.db2.gz JOJRXNYENSCAEZ-ZDUSSCGKSA-N 1 3 242.432 2.061 20 0 BEADHO CC(C)([NH3+])CCNCc1ccnc2ccccc12 ZINC000719535112 712809463 /nfs/dbraw/zinc/80/94/63/712809463.db2.gz JRQRIFQFACIOEJ-UHFFFAOYSA-N 1 3 243.354 2.452 20 0 BEADHO CC(C)CCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720806739 712867337 /nfs/dbraw/zinc/86/73/37/712867337.db2.gz RAOPMJCQJXMOQS-UWVGGRQHSA-N 1 3 238.297 2.102 20 0 BEADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC(F)(F)C1 ZINC000720912883 712877750 /nfs/dbraw/zinc/87/77/50/712877750.db2.gz QYRPJRNIKFHNFM-NXEZZACHSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)CC2)C[C@H](C)O1 ZINC000724501243 957317375 /nfs/dbraw/zinc/31/73/75/957317375.db2.gz JKLWLUYTUFTJCB-XJFOESAGSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)CC2)C[C@H](C)O1 ZINC000724501243 957317385 /nfs/dbraw/zinc/31/73/85/957317385.db2.gz JKLWLUYTUFTJCB-XJFOESAGSA-N 1 3 240.391 2.003 20 0 BEADHO [NH3+]C[C@@H]1CN(CCC2CCCC2)CCC1(F)F ZINC000403285768 958440941 /nfs/dbraw/zinc/44/09/41/958440941.db2.gz QXPQDCJGLSBYJT-GFCCVEGCSA-N 1 3 246.345 2.483 20 0 BEADHO CC(C)(CC[N@H+]1CCC[C@H](CN)C1)C1CC1 ZINC000406084223 959573992 /nfs/dbraw/zinc/57/39/92/959573992.db2.gz YXGIHURWKCSKJD-GFCCVEGCSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)[C@@H](C)C2)C[C@H]1CN ZINC000708870663 959992873 /nfs/dbraw/zinc/99/28/73/959992873.db2.gz MNKURBWAUIAWSS-HTOAHKCRSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451159 960610877 /nfs/dbraw/zinc/61/08/77/960610877.db2.gz WRKZAKOIWTZMSD-NWDGAFQWSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CCC3(CCC3)C2)CCN1 ZINC000709451159 960610891 /nfs/dbraw/zinc/61/08/91/960610891.db2.gz WRKZAKOIWTZMSD-NWDGAFQWSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCCSCC1)N(C)C ZINC000697846256 964565943 /nfs/dbraw/zinc/56/59/43/964565943.db2.gz BZIIGUOBLCEKMP-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](N[C@@H](C)C1CC[NH2+]CC1)c1cscn1 ZINC000697892762 964652477 /nfs/dbraw/zinc/65/24/77/964652477.db2.gz QTYXYHZGBUOPDO-UWVGGRQHSA-N 1 3 239.388 2.182 20 0 BEADHO N[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094178 965724519 /nfs/dbraw/zinc/72/45/19/965724519.db2.gz JZCNXXCZYYAIRK-CRWXNKLISA-N 1 3 220.360 2.012 20 0 BEADHO N[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094178 965724533 /nfs/dbraw/zinc/72/45/33/965724533.db2.gz JZCNXXCZYYAIRK-CRWXNKLISA-N 1 3 220.360 2.012 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCC3)[C@H]2C1 ZINC001204089351 966890717 /nfs/dbraw/zinc/89/07/17/966890717.db2.gz MGVNUHXCBGEYHC-RWMBFGLXSA-N 1 3 222.376 2.106 20 0 BEADHO CC1(C)C[C@H](C[N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001205088988 967338450 /nfs/dbraw/zinc/33/84/50/967338450.db2.gz VABXLTBZTJSZLW-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@H](C[N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001205088988 967338459 /nfs/dbraw/zinc/33/84/59/967338459.db2.gz VABXLTBZTJSZLW-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC/C=C\CCC[N@@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206037993 967997787 /nfs/dbraw/zinc/99/77/87/967997787.db2.gz ZUPIKXIMGMFAQE-DIABFLQPSA-N 1 3 210.365 2.402 20 0 BEADHO CC/C=C\CCC[N@H+]1CC[C@@H](C)[C@H](N)C1 ZINC001206037993 967997798 /nfs/dbraw/zinc/99/77/98/967997798.db2.gz ZUPIKXIMGMFAQE-DIABFLQPSA-N 1 3 210.365 2.402 20 0 BEADHO CNCC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC000083839997 1165934831 /nfs/dbraw/zinc/93/48/31/1165934831.db2.gz QVGJUZIJYZOTRL-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CNCC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC000083839997 1165934838 /nfs/dbraw/zinc/93/48/38/1165934838.db2.gz QVGJUZIJYZOTRL-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)[N@H+](CCCCCO)[C@H]1CCCNCC1 ZINC001206582908 968401281 /nfs/dbraw/zinc/40/12/81/968401281.db2.gz PUALVPGVHMKOIW-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO CC(C)[N@@H+](CCCCCO)[C@H]1CCCNCC1 ZINC001206582908 968401287 /nfs/dbraw/zinc/40/12/87/968401287.db2.gz PUALVPGVHMKOIW-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO Cc1c[nH]c(CN2CCCC[C@H](C[NH3+])C2)c1C ZINC001206623289 968422849 /nfs/dbraw/zinc/42/28/49/968422849.db2.gz KWBCQLUSHKCQMK-CYBMUJFWSA-N 1 3 235.375 2.192 20 0 BEADHO CCc1ccccc1C[N@@H+]1CCCN[C@@H](C)C1 ZINC000086300316 1165987933 /nfs/dbraw/zinc/98/79/33/1165987933.db2.gz COHYDWYADIRJOK-ZDUSSCGKSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1ccccc1C[N@H+]1CCCN[C@@H](C)C1 ZINC000086300316 1165987939 /nfs/dbraw/zinc/98/79/39/1165987939.db2.gz COHYDWYADIRJOK-ZDUSSCGKSA-N 1 3 232.371 2.433 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000389914037 1166053158 /nfs/dbraw/zinc/05/31/58/1166053158.db2.gz LTZJUFCOZNCNAV-FRRDWIJNSA-N 1 3 212.381 2.352 20 0 BEADHO [NH3+]CCCCN1CCc2cc(Cl)ccc2C1 ZINC000082790937 1166080191 /nfs/dbraw/zinc/08/01/91/1166080191.db2.gz UCERYENIPYPEHN-UHFFFAOYSA-N 1 3 238.762 2.437 20 0 BEADHO C[NH+]1CCC(CN2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001207395046 968751390 /nfs/dbraw/zinc/75/13/90/968751390.db2.gz OJXSXWNQMFYGCH-STQMWFEESA-N 1 3 246.345 2.100 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]3CCC[C@@H]32)CN1 ZINC000083701226 1166114878 /nfs/dbraw/zinc/11/48/78/1166114878.db2.gz VEUCWUGYRDUPKE-MQYQWHSLSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]3CCC[C@@H]32)CN1 ZINC000083701226 1166114883 /nfs/dbraw/zinc/11/48/83/1166114883.db2.gz VEUCWUGYRDUPKE-MQYQWHSLSA-N 1 3 222.376 2.391 20 0 BEADHO CS[C@H](C)CCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001208156702 969083925 /nfs/dbraw/zinc/08/39/25/969083925.db2.gz YBFWXPVZJIXRLM-JHJVBQTASA-N 1 3 242.432 2.012 20 0 BEADHO CC(C)[NH+]1CCC(NC/C=C/C2CC2)CC1 ZINC000378788257 969144495 /nfs/dbraw/zinc/14/44/95/969144495.db2.gz LAYQEHIFJHBILA-ONEGZZNKSA-N 1 3 222.376 2.415 20 0 BEADHO CSCC[C@H](C)[NH2+]CCCN1CCCC1 ZINC000228916699 1166265414 /nfs/dbraw/zinc/26/54/14/1166265414.db2.gz HLXBFOXGUZOQHW-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCCCC[C@H](O)CNCC[C@H]1CCC[N@H+]1C ZINC001253553906 969228658 /nfs/dbraw/zinc/22/86/58/969228658.db2.gz MTKVHLYBRXWDLQ-KGLIPLIRSA-N 1 3 242.407 2.002 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@H](N)C[C@H](C)C1 ZINC000228004443 1166381333 /nfs/dbraw/zinc/38/13/33/1166381333.db2.gz QWGHVWHNCNQCIH-SMDDNHRTSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@H](N)C[C@H](C)C1 ZINC000228004443 1166381338 /nfs/dbraw/zinc/38/13/38/1166381338.db2.gz QWGHVWHNCNQCIH-SMDDNHRTSA-N 1 3 232.371 2.473 20 0 BEADHO CN1CCC[C@@H]([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516153 969685270 /nfs/dbraw/zinc/68/52/70/969685270.db2.gz JGJREURBUPRARP-OLZOCXBDSA-N 1 3 228.355 2.295 20 0 BEADHO CN1CCC[C@@H]([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001254516153 969685277 /nfs/dbraw/zinc/68/52/77/969685277.db2.gz JGJREURBUPRARP-OLZOCXBDSA-N 1 3 228.355 2.295 20 0 BEADHO NCCC[N@H+]([C@@H]1CCSC1)C1CCCCC1 ZINC001255269062 970018833 /nfs/dbraw/zinc/01/88/33/970018833.db2.gz WQWUFAMAFXMYAF-CYBMUJFWSA-N 1 3 242.432 2.475 20 0 BEADHO NCCC[N@@H+]([C@@H]1CCSC1)C1CCCCC1 ZINC001255269062 970018843 /nfs/dbraw/zinc/01/88/43/970018843.db2.gz WQWUFAMAFXMYAF-CYBMUJFWSA-N 1 3 242.432 2.475 20 0 BEADHO C[C@H]1C[C@H]([N@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748723 1166613356 /nfs/dbraw/zinc/61/33/56/1166613356.db2.gz ZMYXJFDBTQJAJP-GXSJLCMTSA-N 1 3 232.318 2.104 20 0 BEADHO C[C@H]1C[C@H]([N@@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748723 1166613361 /nfs/dbraw/zinc/61/33/61/1166613361.db2.gz ZMYXJFDBTQJAJP-GXSJLCMTSA-N 1 3 232.318 2.104 20 0 BEADHO Cc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000379804094 1166788651 /nfs/dbraw/zinc/78/86/51/1166788651.db2.gz NGYUNVRQWFYTBL-CMPLNLGQSA-N 1 3 224.373 2.226 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCCCO1 ZINC001255944171 970576998 /nfs/dbraw/zinc/57/69/98/970576998.db2.gz SHDFOJWMFGVXQZ-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001255944171 970577006 /nfs/dbraw/zinc/57/70/06/970577006.db2.gz SHDFOJWMFGVXQZ-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCCSC ZINC001255942013 970577694 /nfs/dbraw/zinc/57/76/94/970577694.db2.gz CWKFHVYTWIHBLH-NSHDSACASA-N 1 3 218.410 2.059 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCSC ZINC001255942013 970577702 /nfs/dbraw/zinc/57/77/02/970577702.db2.gz CWKFHVYTWIHBLH-NSHDSACASA-N 1 3 218.410 2.059 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCCC1=O ZINC001255948336 970582565 /nfs/dbraw/zinc/58/25/65/970582565.db2.gz JWYGIZMCIWPBEA-OLZOCXBDSA-N 1 3 240.391 2.208 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC001255951300 970587904 /nfs/dbraw/zinc/58/79/04/970587904.db2.gz HULWTIFJULXMSK-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000925784859 1166833919 /nfs/dbraw/zinc/83/39/19/1166833919.db2.gz OIDHSXDPFVAVLJ-AAVRWANBSA-N 1 3 224.392 2.399 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@H](COC)C1 ZINC001255957073 970593651 /nfs/dbraw/zinc/59/36/51/970593651.db2.gz OQVBVLZDVBZQJB-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@H](COC)C1 ZINC001255957073 970593663 /nfs/dbraw/zinc/59/36/63/970593663.db2.gz OQVBVLZDVBZQJB-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N1CC[C@@H](COC)C1 ZINC001255957073 970593677 /nfs/dbraw/zinc/59/36/77/970593677.db2.gz OQVBVLZDVBZQJB-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N(CCOC)C(C)C ZINC001255959962 970604105 /nfs/dbraw/zinc/60/41/05/970604105.db2.gz BZOLWEOVDNSTOB-AWEZNQCLSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](CCOC)C(C)C ZINC001255959962 970604111 /nfs/dbraw/zinc/60/41/11/970604111.db2.gz BZOLWEOVDNSTOB-AWEZNQCLSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](CCOC)C(C)C ZINC001255959962 970604118 /nfs/dbraw/zinc/60/41/18/970604118.db2.gz BZOLWEOVDNSTOB-AWEZNQCLSA-N 1 3 244.423 2.464 20 0 BEADHO CCSC[C@H](C)N1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001173307681 975216667 /nfs/dbraw/zinc/21/66/67/975216667.db2.gz IRLUJQRTHQEAAV-RWMBFGLXSA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@H](C)N1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001173307681 975216672 /nfs/dbraw/zinc/21/66/72/975216672.db2.gz IRLUJQRTHQEAAV-RWMBFGLXSA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@@H](C)N(CC)CCC[NH+](C)C ZINC001173316884 975303731 /nfs/dbraw/zinc/30/37/31/975303731.db2.gz ZVBAVPLORMKHCB-GFCCVEGCSA-N 1 3 232.437 2.402 20 0 BEADHO CSCC[C@H](C)N(C)CCC[NH+](C)C ZINC000336676496 1167102990 /nfs/dbraw/zinc/10/29/90/1167102990.db2.gz YFYMXAUMEYKYJQ-NSHDSACASA-N 1 3 218.410 2.012 20 0 BEADHO N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000215787577 1167478762 /nfs/dbraw/zinc/47/87/62/1167478762.db2.gz NESCTUXHFZOEPS-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000215787577 1167478766 /nfs/dbraw/zinc/47/87/66/1167478766.db2.gz NESCTUXHFZOEPS-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@H](C)[C@H](CNC[C@@]1(C)CCC[NH2+]C1)OC ZINC000381381336 1167547827 /nfs/dbraw/zinc/54/78/27/1167547827.db2.gz LNRPYBLMNRXGIA-IHRRRGAJSA-N 1 3 242.407 2.027 20 0 BEADHO CC1(C)C[C@H]([N@@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000310449330 1167773989 /nfs/dbraw/zinc/77/39/89/1167773989.db2.gz XRJQEQNYZTUYCW-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@H]([N@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000310449330 1167773995 /nfs/dbraw/zinc/77/39/95/1167773995.db2.gz XRJQEQNYZTUYCW-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@@H]([N@@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000310449328 1167773506 /nfs/dbraw/zinc/77/35/06/1167773506.db2.gz XRJQEQNYZTUYCW-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@@H]([N@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000310449328 1167773515 /nfs/dbraw/zinc/77/35/15/1167773515.db2.gz XRJQEQNYZTUYCW-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)c(C)c1 ZINC001235980813 1167804235 /nfs/dbraw/zinc/80/42/35/1167804235.db2.gz ORSAJOOVXDXXGQ-LSDHHAIUSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)c(C)c1 ZINC001235980813 1167804246 /nfs/dbraw/zinc/80/42/46/1167804246.db2.gz ORSAJOOVXDXXGQ-LSDHHAIUSA-N 1 3 230.355 2.227 20 0 BEADHO CO[C@H]1CCC[C@H]([N@H+](CCCN)C(C)C)C1 ZINC000069846607 978764132 /nfs/dbraw/zinc/76/41/32/978764132.db2.gz FCPFWIUHKPLWFT-STQMWFEESA-N 1 3 228.380 2.003 20 0 BEADHO CO[C@H]1CCC[C@H]([N@@H+](CCCN)C(C)C)C1 ZINC000069846607 978764136 /nfs/dbraw/zinc/76/41/36/978764136.db2.gz FCPFWIUHKPLWFT-STQMWFEESA-N 1 3 228.380 2.003 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1C[C@H]2CNCC[C@H]21 ZINC001235256718 979009685 /nfs/dbraw/zinc/00/96/85/979009685.db2.gz GKKHGQNUBMECQU-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CNCC[C@H]21 ZINC001235256723 979010661 /nfs/dbraw/zinc/01/06/61/979010661.db2.gz GKKHGQNUBMECQU-MELADBBJSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccccn1 ZINC000086817252 1168310635 /nfs/dbraw/zinc/31/06/35/1168310635.db2.gz PKUFLGTTXDKMFZ-OLZOCXBDSA-N 1 3 233.359 2.217 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@@]12CCCNC2 ZINC000257685170 1168587415 /nfs/dbraw/zinc/58/74/15/1168587415.db2.gz LZYRPRQFRTXESR-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@@]12CCCNC2 ZINC000257685170 1168587433 /nfs/dbraw/zinc/58/74/33/1168587433.db2.gz LZYRPRQFRTXESR-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)CCN1CCC[C@@]12CCC[NH2+]C2 ZINC000257685170 1168587451 /nfs/dbraw/zinc/58/74/51/1168587451.db2.gz LZYRPRQFRTXESR-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO C1C[N@H+]([C@@H]2CCCSC2)[C@]2(C1)CCCNC2 ZINC000257696480 1168607998 /nfs/dbraw/zinc/60/79/98/1168607998.db2.gz KHNUJBKVWPHHAZ-OLZOCXBDSA-N 1 3 240.416 2.100 20 0 BEADHO C1C[N@@H+]([C@@H]2CCCSC2)[C@]2(C1)CCCNC2 ZINC000257696480 1168608000 /nfs/dbraw/zinc/60/80/00/1168608000.db2.gz KHNUJBKVWPHHAZ-OLZOCXBDSA-N 1 3 240.416 2.100 20 0 BEADHO CCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201717226 983424938 /nfs/dbraw/zinc/42/49/38/983424938.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO CCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201717226 983424945 /nfs/dbraw/zinc/42/49/45/983424945.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO CCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001201717226 983424951 /nfs/dbraw/zinc/42/49/51/983424951.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO CCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001201717226 983424958 /nfs/dbraw/zinc/42/49/58/983424958.db2.gz GUDVYAPPAJVZHF-BETUJISGSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246557335 972776010 /nfs/dbraw/zinc/77/60/10/972776010.db2.gz KOSKHMSFXIPAOB-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246557335 972776028 /nfs/dbraw/zinc/77/60/28/972776028.db2.gz KOSKHMSFXIPAOB-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO [NH3+]C[C@]1(F)CCCCN(C2CCSCC2)C1 ZINC001246582796 972947721 /nfs/dbraw/zinc/94/77/21/972947721.db2.gz TXJDNKAYCWBVKW-GFCCVEGCSA-N 1 3 246.395 2.035 20 0 BEADHO CCC[C@@H](C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403136476 970883201 /nfs/dbraw/zinc/88/32/01/970883201.db2.gz BWWZNONVSCAWDX-MNOVXSKESA-N 1 3 234.334 2.339 20 0 BEADHO CCC(CC)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403196024 970892978 /nfs/dbraw/zinc/89/29/78/970892978.db2.gz XTZDHFBZCWUVPF-NSHDSACASA-N 1 3 234.334 2.339 20 0 BEADHO CCC(CC)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403196022 970894554 /nfs/dbraw/zinc/89/45/54/970894554.db2.gz XTZDHFBZCWUVPF-LLVKDONJSA-N 1 3 234.334 2.339 20 0 BEADHO CC(C)[N@H+](CCCN)C1C[C@@H](C)O[C@H](C)C1 ZINC001257073827 971089611 /nfs/dbraw/zinc/08/96/11/971089611.db2.gz WIZZKVSGXAHAQB-VXGBXAGGSA-N 1 3 228.380 2.002 20 0 BEADHO CC(C)[N@@H+](CCCN)C1C[C@@H](C)O[C@H](C)C1 ZINC001257073827 971089622 /nfs/dbraw/zinc/08/96/22/971089622.db2.gz WIZZKVSGXAHAQB-VXGBXAGGSA-N 1 3 228.380 2.002 20 0 BEADHO CC[C@H]1CN(CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000403915622 971090157 /nfs/dbraw/zinc/09/01/57/971090157.db2.gz OPDNKBAPYNHXIM-KBPBESRZSA-N 1 3 242.407 2.395 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405209863 971210649 /nfs/dbraw/zinc/21/06/49/971210649.db2.gz CCOAXHPZXYYHES-VXGBXAGGSA-N 1 3 242.432 2.235 20 0 BEADHO CC(C)CSCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405209863 971210650 /nfs/dbraw/zinc/21/06/50/971210650.db2.gz CCOAXHPZXYYHES-VXGBXAGGSA-N 1 3 242.432 2.235 20 0 BEADHO CCCN1C[C@H]2C[NH+](C3CCCC3)C[C@@H]2C1 ZINC001257355255 971269216 /nfs/dbraw/zinc/26/92/16/971269216.db2.gz SHRANNRJCPDDJE-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H]1C[C@@H](N2CC3(C2)CC[NH2+]C3)CC(C)(C)C1 ZINC000724057020 971436081 /nfs/dbraw/zinc/43/60/81/971436081.db2.gz OLHOREFDXVWTPD-QWHCGFSZSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[C@@H](N2CC3(C2)CC[NH2+]C3)CC(C)(C)C1 ZINC000724057016 971436961 /nfs/dbraw/zinc/43/69/61/971436961.db2.gz OLHOREFDXVWTPD-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)[N@H+](CCCN)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716133 971634067 /nfs/dbraw/zinc/63/40/67/971634067.db2.gz PFAGJODHIWOWPI-CLLJXQQHSA-N 1 3 224.392 2.480 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716133 971634073 /nfs/dbraw/zinc/63/40/73/971634073.db2.gz PFAGJODHIWOWPI-CLLJXQQHSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715256 971634854 /nfs/dbraw/zinc/63/48/54/971634854.db2.gz FGOHLHUTUWZJQM-CLLJXQQHSA-N 1 3 224.392 2.482 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170715256 971634861 /nfs/dbraw/zinc/63/48/61/971634861.db2.gz FGOHLHUTUWZJQM-CLLJXQQHSA-N 1 3 224.392 2.482 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)[C@@H](C)OC ZINC000309676112 971753974 /nfs/dbraw/zinc/75/39/74/971753974.db2.gz XSMZELCBZXOQBB-YNEHKIRRSA-N 1 3 230.396 2.120 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000309676112 971753981 /nfs/dbraw/zinc/75/39/81/971753981.db2.gz XSMZELCBZXOQBB-YNEHKIRRSA-N 1 3 230.396 2.120 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)[C@@H](C)OC ZINC000309676110 971754895 /nfs/dbraw/zinc/75/48/95/971754895.db2.gz XSMZELCBZXOQBB-RWMBFGLXSA-N 1 3 230.396 2.120 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000309676110 971754897 /nfs/dbraw/zinc/75/48/97/971754897.db2.gz XSMZELCBZXOQBB-RWMBFGLXSA-N 1 3 230.396 2.120 20 0 BEADHO CC1(C)C[C@@H](Oc2cccc3c2CNC3)CC[NH2+]1 ZINC001218477796 971827272 /nfs/dbraw/zinc/82/72/72/971827272.db2.gz ROKDXKKCZDNTTK-LBPRGKRZSA-N 1 3 246.354 2.199 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001172326029 974531607 /nfs/dbraw/zinc/53/16/07/974531607.db2.gz ABXKNBXOUHCQKK-UPJWGTAASA-N 1 3 230.396 2.107 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172326029 974531608 /nfs/dbraw/zinc/53/16/08/974531608.db2.gz ABXKNBXOUHCQKK-UPJWGTAASA-N 1 3 230.396 2.107 20 0 BEADHO Cc1cc(N[C@H](N)CCC[NH3+])cc(C)c1C ZINC001170898574 972059986 /nfs/dbraw/zinc/05/99/86/972059986.db2.gz FCURUOHQHXEFII-ZDUSSCGKSA-N 1 3 221.348 2.047 20 0 BEADHO Cc1cc(C)c(N[C@H](N)CCC[NH3+])c(C)c1 ZINC001170900544 972066397 /nfs/dbraw/zinc/06/63/97/972066397.db2.gz VSSQZGYVPAXMFC-LBPRGKRZSA-N 1 3 221.348 2.047 20 0 BEADHO C[C@H](CC1CC1)NC[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246106362 972170733 /nfs/dbraw/zinc/17/07/33/972170733.db2.gz PPHNKCQJZVKRFW-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC[C@H](CC)[NH2+][C@@H]1CNCC12CC2 ZINC001246133533 972190285 /nfs/dbraw/zinc/19/02/85/972190285.db2.gz OEJBEZRYJIXBNA-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](N)C2)CC(C)(C)C1 ZINC001246190719 972212776 /nfs/dbraw/zinc/21/27/76/972212776.db2.gz RRESNSRJXWDVKA-YFKTTZPYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]1C[C@@H](NC2(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246187047 972213161 /nfs/dbraw/zinc/21/31/61/972213161.db2.gz FPYQQIHGEMKXTG-HIFRSBDPSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC2)CCN1 ZINC001246187047 972213166 /nfs/dbraw/zinc/21/31/66/972213166.db2.gz FPYQQIHGEMKXTG-HIFRSBDPSA-N 1 3 244.382 2.492 20 0 BEADHO Cc1cc2[nH]ccc2c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160148234 972219283 /nfs/dbraw/zinc/21/92/83/972219283.db2.gz PPBKTXLDKNCCKE-LLVKDONJSA-N 1 3 244.342 2.425 20 0 BEADHO C[C@@H]1CC[C@@H](NCCCCc2ccccn2)C[NH2+]1 ZINC001246241038 972244656 /nfs/dbraw/zinc/24/46/56/972244656.db2.gz VFJIUMHJNVGKQC-UKRRQHHQSA-N 1 3 247.386 2.134 20 0 BEADHO CCOC(C)(C)C[N@H+](C)CCCN1CCCC1 ZINC001209074539 957310691 /nfs/dbraw/zinc/31/06/91/957310691.db2.gz HEXGDXBBFACIJD-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO CCOC(C)(C)C[N@@H+](C)CCCN1CCCC1 ZINC001209074539 957310703 /nfs/dbraw/zinc/31/07/03/957310703.db2.gz HEXGDXBBFACIJD-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO [NH3+][C@@H](CC(F)F)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000400916783 957715117 /nfs/dbraw/zinc/71/51/17/957715117.db2.gz SZKMGAHVRQWZDP-DCAQKATOSA-N 1 3 232.318 2.233 20 0 BEADHO C[NH2+]CC[C@@H](C)NC[C@@H]1CCc2ccccc2N1 ZINC001246353186 972300556 /nfs/dbraw/zinc/30/05/56/972300556.db2.gz QDQHLWMNCZIWBJ-OCCSQVGLSA-N 1 3 247.386 2.001 20 0 BEADHO CCc1ccc(C[C@H](C)[NH2+][C@@H]2CC23CNC3)cc1 ZINC001246443976 972316744 /nfs/dbraw/zinc/31/67/44/972316744.db2.gz IWHVKVCLKTWVFH-SWLSCSKDSA-N 1 3 244.382 2.132 20 0 BEADHO CC[C@H](CC(C)C)NCC[NH2+]C(C)C ZINC001246461283 972335452 /nfs/dbraw/zinc/33/54/52/972335452.db2.gz OONBISMFGFAAGB-GFCCVEGCSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@@H]1CC[C@H](NCCCC(F)(F)F)C[NH2+]1 ZINC000399221962 958567014 /nfs/dbraw/zinc/56/70/14/958567014.db2.gz CHOSZYXWAYYMHZ-BDAKNGLRSA-N 1 3 224.270 2.059 20 0 BEADHO COC[C@@H]1CCCCN1CC(C)(C)C[NH+](C)C ZINC001207275081 958843310 /nfs/dbraw/zinc/84/33/10/958843310.db2.gz JLJTXGCJBBFMRF-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CS[C@@H](C)CC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230650 972409297 /nfs/dbraw/zinc/40/92/97/972409297.db2.gz CDQGMNPZOQRWMG-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CS[C@@H](C)CC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230650 972409300 /nfs/dbraw/zinc/40/93/00/972409300.db2.gz CDQGMNPZOQRWMG-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CS[C@H](C)CC[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222230648 972410795 /nfs/dbraw/zinc/41/07/95/972410795.db2.gz CDQGMNPZOQRWMG-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CS[C@H](C)CC[N@H+]1CCC[C@@]12CCCNC2 ZINC001222230648 972410802 /nfs/dbraw/zinc/41/08/02/972410802.db2.gz CDQGMNPZOQRWMG-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CC1(C)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693755310 959268484 /nfs/dbraw/zinc/26/84/84/959268484.db2.gz DYVPEKBFGUIYSW-NOOOWODRSA-N 1 3 222.376 2.151 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693755310 959268491 /nfs/dbraw/zinc/26/84/91/959268491.db2.gz DYVPEKBFGUIYSW-NOOOWODRSA-N 1 3 222.376 2.151 20 0 BEADHO CC(C)(CC[N@@H+]1CCC[C@H](CN)C1)C1CC1 ZINC000406084223 959573987 /nfs/dbraw/zinc/57/39/87/959573987.db2.gz YXGIHURWKCSKJD-GFCCVEGCSA-N 1 3 224.392 2.483 20 0 BEADHO Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@](C)(N)C1)C2 ZINC001246532152 972443682 /nfs/dbraw/zinc/44/36/82/972443682.db2.gz UMHJDLRHOHQENJ-GDBMZVCRSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@](C)(N)C1)C2 ZINC001246532152 972443683 /nfs/dbraw/zinc/44/36/83/972443683.db2.gz UMHJDLRHOHQENJ-GDBMZVCRSA-N 1 3 244.382 2.275 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000708829792 959860393 /nfs/dbraw/zinc/86/03/93/959860393.db2.gz HECQLJLNRQBCLU-XQHKEYJVSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000708829792 959860399 /nfs/dbraw/zinc/86/03/99/959860399.db2.gz HECQLJLNRQBCLU-XQHKEYJVSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C)[C@@H](C)C2)C[C@H]1CN ZINC000708870663 959992866 /nfs/dbraw/zinc/99/28/66/959992866.db2.gz MNKURBWAUIAWSS-HTOAHKCRSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1CN ZINC000708887761 960077955 /nfs/dbraw/zinc/07/79/55/960077955.db2.gz YVAMNDZWZCJLHG-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[N@H+](CCC2CCCCC2)C[C@H]1CN ZINC000708887761 960077942 /nfs/dbraw/zinc/07/79/42/960077942.db2.gz YVAMNDZWZCJLHG-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)CCN1 ZINC000709358889 960532731 /nfs/dbraw/zinc/53/27/31/960532731.db2.gz WJKHQLLHHHGBOD-ZIAGYGMSSA-N 1 3 248.370 2.186 20 0 BEADHO CC1(C)CC[C@H](CNC2CCCC2)[NH2+]C1 ZINC000686973431 960905022 /nfs/dbraw/zinc/90/50/22/960905022.db2.gz ALIYYOHUNCMMIV-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(O)cc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206641465 962285029 /nfs/dbraw/zinc/28/50/29/962285029.db2.gz XVVHMAHPMNTVNK-ZDUSSCGKSA-N 1 3 248.370 2.261 20 0 BEADHO CCN(C)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947629 962564297 /nfs/dbraw/zinc/56/42/97/962564297.db2.gz CKNGHVYARXIMLR-DABQJJPHSA-N 1 3 222.376 2.201 20 0 BEADHO CCC1(Nc2nc(C)cc3[nH]ccc32)C[NH2+]C1 ZINC001157785048 963724546 /nfs/dbraw/zinc/72/45/46/963724546.db2.gz QPAZPJOEPPBIDR-UHFFFAOYSA-N 1 3 230.315 2.035 20 0 BEADHO Cc1nc2ccc(NC3(C)CC[NH2+]CC3)cc2[nH]1 ZINC001168187480 963946948 /nfs/dbraw/zinc/94/69/48/963946948.db2.gz RAHBYGOUWREPOQ-UHFFFAOYSA-N 1 3 244.342 2.425 20 0 BEADHO CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1CCC1 ZINC000697824826 964545350 /nfs/dbraw/zinc/54/53/50/964545350.db2.gz MGNANTMEDBIDTH-DGCLKSJQSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCC(C)(C)C1)N(C)C ZINC000697879254 964604468 /nfs/dbraw/zinc/60/44/68/964604468.db2.gz NEGORBXNZKGEKB-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO c1ccc([C@@H]2C[C@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000149714348 964614124 /nfs/dbraw/zinc/61/41/24/964614124.db2.gz OOUPHCVQCFQHLO-BLNMRFBMSA-N 1 3 242.366 2.415 20 0 BEADHO [NH3+][C@H]1CCC[C@H](Nc2c[nH]cc3ccnc2-3)C1 ZINC001162396448 964955998 /nfs/dbraw/zinc/95/59/98/964955998.db2.gz JJMOZTVQHVQLDO-QWRGUYRKSA-N 1 3 230.315 2.245 20 0 BEADHO [NH3+][C@H]1CCC[C@H](Nc2cncc3cc[nH]c32)C1 ZINC001162396448 964956001 /nfs/dbraw/zinc/95/60/01/964956001.db2.gz JJMOZTVQHVQLDO-QWRGUYRKSA-N 1 3 230.315 2.245 20 0 BEADHO Cc1nc2ccc(NC[C@H]3C[NH2+][C@H](C)C3)cc2[nH]1 ZINC001162557444 965048666 /nfs/dbraw/zinc/04/86/66/965048666.db2.gz GPBQLBNIRGFLFM-MWLCHTKSSA-N 1 3 244.342 2.281 20 0 BEADHO Cc1cc(C)nc(N(C)CCC[NH+](C)C)c1 ZINC001163595104 965473271 /nfs/dbraw/zinc/47/32/71/965473271.db2.gz BJOLZYNGETWWHS-UHFFFAOYSA-N 1 3 221.348 2.086 20 0 BEADHO N[C@H]1CCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094179 965726563 /nfs/dbraw/zinc/72/65/63/965726563.db2.gz JZCNXXCZYYAIRK-DGAVXFQQSA-N 1 3 220.360 2.012 20 0 BEADHO N[C@H]1CCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001205094179 965726572 /nfs/dbraw/zinc/72/65/72/965726572.db2.gz JZCNXXCZYYAIRK-DGAVXFQQSA-N 1 3 220.360 2.012 20 0 BEADHO CNc1ccccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205117806 965871737 /nfs/dbraw/zinc/87/17/37/965871737.db2.gz VWZXVFWTFFKKHO-ZDUSSCGKSA-N 1 3 233.359 2.042 20 0 BEADHO CC/C=C\CC[N@H+](C)[C@]1(C)CCCNC1 ZINC001236202425 966308120 /nfs/dbraw/zinc/30/81/20/966308120.db2.gz RGTVYQHYALJMNM-CFHLNLSMSA-N 1 3 210.365 2.417 20 0 BEADHO CC/C=C\CC[N@@H+](C)[C@]1(C)CCCNC1 ZINC001236202425 966308133 /nfs/dbraw/zinc/30/81/33/966308133.db2.gz RGTVYQHYALJMNM-CFHLNLSMSA-N 1 3 210.365 2.417 20 0 BEADHO CCC1(Nc2ccc3nc(C)[nH]c3c2)C[NH2+]C1 ZINC001168583163 966927330 /nfs/dbraw/zinc/92/73/30/966927330.db2.gz HHEHEJKPWPJWLN-UHFFFAOYSA-N 1 3 230.315 2.035 20 0 BEADHO N[C@@H]1C[N@H+](Cc2cccc3c2CCC3)CC12CC2 ZINC001204911017 967230432 /nfs/dbraw/zinc/23/04/32/967230432.db2.gz AQYURDQPVSQKJI-OAHLLOKOSA-N 1 3 242.366 2.098 20 0 BEADHO N[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CC12CC2 ZINC001204911017 967230440 /nfs/dbraw/zinc/23/04/40/967230440.db2.gz AQYURDQPVSQKJI-OAHLLOKOSA-N 1 3 242.366 2.098 20 0 BEADHO Cc1cc(CN2CCC[C@H]([NH3+])CC2)cc(C)c1O ZINC001205109157 967351656 /nfs/dbraw/zinc/35/16/56/967351656.db2.gz BREWFHNQDBEIHN-AWEZNQCLSA-N 1 3 248.370 2.322 20 0 BEADHO CCC(=O)C(C)(C)CN1CCC[C@@](C)([NH3+])CC1 ZINC001205256829 967447158 /nfs/dbraw/zinc/44/71/58/967447158.db2.gz QMTRJWYXBMMASJ-CQSZACIVSA-N 1 3 240.391 2.195 20 0 BEADHO Cc1c(O)cccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205280898 967469866 /nfs/dbraw/zinc/46/98/66/967469866.db2.gz LGUZZPCNHRESSR-OAHLLOKOSA-N 1 3 248.370 2.404 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205297123 967498834 /nfs/dbraw/zinc/49/88/34/967498834.db2.gz ZKBTVZOWGRVMSJ-XLWJZTARSA-N 1 3 234.387 2.115 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205297123 967498844 /nfs/dbraw/zinc/49/88/44/967498844.db2.gz ZKBTVZOWGRVMSJ-XLWJZTARSA-N 1 3 234.387 2.115 20 0 BEADHO CNc1ccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC001205315397 967522972 /nfs/dbraw/zinc/52/29/72/967522972.db2.gz FXWHCPLFYRNEKU-TZMCWYRMSA-N 1 3 247.386 2.145 20 0 BEADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCC(C)(C)C ZINC001205902204 967874600 /nfs/dbraw/zinc/87/46/00/967874600.db2.gz IPVCJWQKXORWNY-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCC(C)(C)C ZINC001205902204 967874603 /nfs/dbraw/zinc/87/46/03/967874603.db2.gz IPVCJWQKXORWNY-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCCC[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000697868671 968142908 /nfs/dbraw/zinc/14/29/08/968142908.db2.gz CKOTXFUXPXHAKE-NEPJUHHUSA-N 1 3 200.370 2.495 20 0 BEADHO CCc1ccccc1C[N@@H+]1CCCNC[C@@H]1C ZINC001206262685 968183840 /nfs/dbraw/zinc/18/38/40/968183840.db2.gz DYCJUHCUMLGAAU-ZDUSSCGKSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1ccccc1C[N@H+]1CCCNC[C@@H]1C ZINC001206262685 968183845 /nfs/dbraw/zinc/18/38/45/968183845.db2.gz DYCJUHCUMLGAAU-ZDUSSCGKSA-N 1 3 232.371 2.433 20 0 BEADHO C[C@H]1CNCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001206284759 968194600 /nfs/dbraw/zinc/19/46/00/968194600.db2.gz GSGLATSZTNQMCZ-ZDUSSCGKSA-N 1 3 244.382 2.217 20 0 BEADHO C[C@H]1CNCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001206284759 968194603 /nfs/dbraw/zinc/19/46/03/968194603.db2.gz GSGLATSZTNQMCZ-ZDUSSCGKSA-N 1 3 244.382 2.217 20 0 BEADHO C[NH2+][C@H](C)CCN[C@H](C)Cc1ccccc1F ZINC001331820921 968245486 /nfs/dbraw/zinc/24/54/86/968245486.db2.gz KMUBDWGWYYVBDS-VXGBXAGGSA-N 1 3 238.350 2.344 20 0 BEADHO CC/C=C\CC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606065 968416259 /nfs/dbraw/zinc/41/62/59/968416259.db2.gz BZCGIYAABUJFPU-DHCBQETCSA-N 1 3 210.365 2.404 20 0 BEADHO CC/C=C\CC[N@H+]1CCCC[C@H](CN)C1 ZINC001206606065 968416265 /nfs/dbraw/zinc/41/62/65/968416265.db2.gz BZCGIYAABUJFPU-DHCBQETCSA-N 1 3 210.365 2.404 20 0 BEADHO CC/C=C\CC[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206760696 968458508 /nfs/dbraw/zinc/45/85/08/968458508.db2.gz KKTYOKBSRVBHOX-AIMRDXAKSA-N 1 3 210.365 2.402 20 0 BEADHO CC/C=C\CC[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC001206760696 968458513 /nfs/dbraw/zinc/45/85/13/968458513.db2.gz KKTYOKBSRVBHOX-AIMRDXAKSA-N 1 3 210.365 2.402 20 0 BEADHO CN(Cc1ccncc1)CC1(C)CC[NH+](C)CC1 ZINC001208108081 969000348 /nfs/dbraw/zinc/00/03/48/969000348.db2.gz PPOKAONGQHRYRB-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO CN1CCC[C@H](C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158974 /nfs/dbraw/zinc/15/89/74/969158974.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC[C@H](C[N@H+]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158979 /nfs/dbraw/zinc/15/89/79/969158979.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158986 /nfs/dbraw/zinc/15/89/86/969158986.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CC[C@H]3CCC[C@@H]3C2)C1 ZINC001208605178 969158988 /nfs/dbraw/zinc/15/89/88/969158988.db2.gz AJMCXDZMFNZIRN-RRFJBIMHSA-N 1 3 236.403 2.450 20 0 BEADHO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404928 969160841 /nfs/dbraw/zinc/16/08/41/969160841.db2.gz KEBGYXXMWIKAPH-AVGNSLFASA-N 1 3 244.423 2.150 20 0 BEADHO CC[C@H](C)C[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404928 969160849 /nfs/dbraw/zinc/16/08/49/969160849.db2.gz KEBGYXXMWIKAPH-AVGNSLFASA-N 1 3 244.423 2.150 20 0 BEADHO CN1CCC[C@@H](C[NH+]2CC3CCC(CC3)C2)C1 ZINC001208615554 969167842 /nfs/dbraw/zinc/16/78/42/969167842.db2.gz HXSDZIQULRLTQS-YMAMQOFZSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+]1CCC[C@@H](CN2CC3CCC(CC3)C2)C1 ZINC001208615554 969167846 /nfs/dbraw/zinc/16/78/46/969167846.db2.gz HXSDZIQULRLTQS-YMAMQOFZSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+]1CCC[C@@H](CN2CC3CCC(CC3)C2)C1 ZINC001208615554 969167849 /nfs/dbraw/zinc/16/78/49/969167849.db2.gz HXSDZIQULRLTQS-YMAMQOFZSA-N 1 3 236.403 2.450 20 0 BEADHO CCCCC[C@H](O)C[NH2+]CCCN1CCCC1 ZINC001253517120 969196654 /nfs/dbraw/zinc/19/66/54/969196654.db2.gz DLGOXIFNOPQFCQ-AWEZNQCLSA-N 1 3 242.407 2.003 20 0 BEADHO CCCCC[C@H](O)CNCCC[NH+]1CCCC1 ZINC001253517120 969196657 /nfs/dbraw/zinc/19/66/57/969196657.db2.gz DLGOXIFNOPQFCQ-AWEZNQCLSA-N 1 3 242.407 2.003 20 0 BEADHO CCCCC[C@@H](O)C[NH2+]CC[C@H]1CCCN1C ZINC001253553908 969227315 /nfs/dbraw/zinc/22/73/15/969227315.db2.gz MTKVHLYBRXWDLQ-ZIAGYGMSSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@@H](O)CNCC[C@H]1CCC[N@@H+]1C ZINC001253553908 969227325 /nfs/dbraw/zinc/22/73/25/969227325.db2.gz MTKVHLYBRXWDLQ-ZIAGYGMSSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@@H](O)CNCC[C@H]1CCC[N@H+]1C ZINC001253553908 969227330 /nfs/dbraw/zinc/22/73/30/969227330.db2.gz MTKVHLYBRXWDLQ-ZIAGYGMSSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@H](O)C[NH2+]CC[C@H]1CCCN1C ZINC001253553906 969228640 /nfs/dbraw/zinc/22/86/40/969228640.db2.gz MTKVHLYBRXWDLQ-KGLIPLIRSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@H](O)CNCC[C@H]1CCC[N@@H+]1C ZINC001253553906 969228649 /nfs/dbraw/zinc/22/86/49/969228649.db2.gz MTKVHLYBRXWDLQ-KGLIPLIRSA-N 1 3 242.407 2.002 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)C2 ZINC001169081316 969402981 /nfs/dbraw/zinc/40/29/81/969402981.db2.gz QVRLKSPZVIHRDH-RKQHYHRCSA-N 1 3 240.366 2.482 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169126117 969427851 /nfs/dbraw/zinc/42/78/51/969427851.db2.gz PVGIPDVGGSAIIV-HPCHECBXSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@H]1C[C@@H](CF)N([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169126117 969427854 /nfs/dbraw/zinc/42/78/54/969427854.db2.gz PVGIPDVGGSAIIV-HPCHECBXSA-N 1 3 240.366 2.292 20 0 BEADHO CCN(C)C1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC001209427101 969496043 /nfs/dbraw/zinc/49/60/43/969496043.db2.gz OKBCGBXLPYYFHP-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@H]1C[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209433831 969503696 /nfs/dbraw/zinc/50/36/96/969503696.db2.gz VQRQYBYNZJRPJN-NEPJUHHUSA-N 1 3 222.376 2.201 20 0 BEADHO COCCN(CCC[NH+]1CCCCC1)C(C)C ZINC001209448611 969518777 /nfs/dbraw/zinc/51/87/77/969518777.db2.gz FWJINSDIWAAJJK-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO OCc1cc(Nc2ccc3nc[nH]c3c2)ccn1 ZINC001209844979 969654086 /nfs/dbraw/zinc/65/40/86/969654086.db2.gz SQZVMZVQSWXTIY-UHFFFAOYSA-N 1 3 240.266 2.194 20 0 BEADHO CN(CCc1ccncc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522154 969710034 /nfs/dbraw/zinc/71/00/34/969710034.db2.gz CZYPOMNLTUHXCK-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CN(CCc1ccncc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522154 969710042 /nfs/dbraw/zinc/71/00/42/969710042.db2.gz CZYPOMNLTUHXCK-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCOCC1 ZINC001255032367 969856229 /nfs/dbraw/zinc/85/62/29/969856229.db2.gz ZZYISOVSEGTIFM-UHFFFAOYSA-N 1 3 240.391 2.146 20 0 BEADHO c1cc(NC2=CC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC001210704209 969999691 /nfs/dbraw/zinc/99/96/91/969999691.db2.gz HZJAIRDVZAJPMS-HNNXBMFYSA-N 1 3 243.354 2.448 20 0 BEADHO c1cc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC001210704210 969999928 /nfs/dbraw/zinc/99/99/28/969999928.db2.gz HZJAIRDVZAJPMS-OAHLLOKOSA-N 1 3 243.354 2.448 20 0 BEADHO C1=C(c2cnccc2CN2CCCCC2)C[NH2+]C1 ZINC001243114295 970365455 /nfs/dbraw/zinc/36/54/55/970365455.db2.gz AEQIRQYQZQDDCV-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO C[C@H]1CC[C@H]([NH+]2CCC3(CN(C)C3)CC2)C1 ZINC001170152947 970464578 /nfs/dbraw/zinc/46/45/78/970464578.db2.gz YGUNCFNNKPJRDL-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC001255941601 970565127 /nfs/dbraw/zinc/56/51/27/970565127.db2.gz UQMAQIOLWDIDAG-ZIAGYGMSSA-N 1 3 244.423 2.367 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@H](COC)C(C)C ZINC001255941601 970565138 /nfs/dbraw/zinc/56/51/38/970565138.db2.gz UQMAQIOLWDIDAG-ZIAGYGMSSA-N 1 3 244.423 2.367 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NC1CC(F)C1 ZINC001255940601 970565249 /nfs/dbraw/zinc/56/52/49/970565249.db2.gz DWCNAPJHOLCWNE-VOMCLLRMSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(F)C1 ZINC001255940601 970565256 /nfs/dbraw/zinc/56/52/56/970565256.db2.gz DWCNAPJHOLCWNE-VOMCLLRMSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1(C)CC1 ZINC001255940937 970573776 /nfs/dbraw/zinc/57/37/76/970573776.db2.gz JJHSVOAFJBCULS-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO COc1cccc(C[C@@H](C)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC001256154727 970675580 /nfs/dbraw/zinc/67/55/80/970675580.db2.gz AVLABJGZTGJEIG-BYCMXARLSA-N 1 3 248.370 2.096 20 0 BEADHO Cc1cc(CN2CCC(F)(C[NH3+])CC2)oc1C ZINC001222533436 972556324 /nfs/dbraw/zinc/55/63/24/972556324.db2.gz ZECICRFVUKVWCL-UHFFFAOYSA-N 1 3 240.322 2.159 20 0 BEADHO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001246589570 972989852 /nfs/dbraw/zinc/98/98/52/972989852.db2.gz SSIDMUYCUBALBU-HLTSFMKQSA-N 1 3 242.260 2.089 20 0 BEADHO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001246589570 972989864 /nfs/dbraw/zinc/98/98/64/972989864.db2.gz SSIDMUYCUBALBU-HLTSFMKQSA-N 1 3 242.260 2.089 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665975 973073003 /nfs/dbraw/zinc/07/30/03/973073003.db2.gz VOMDTPRPHJXJAN-XGFWRYKXSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665975 973073014 /nfs/dbraw/zinc/07/30/14/973073014.db2.gz VOMDTPRPHJXJAN-XGFWRYKXSA-N 1 3 224.392 2.480 20 0 BEADHO CC(C)(C)C1CCC([N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001246660563 973073934 /nfs/dbraw/zinc/07/39/34/973073934.db2.gz VJERIBYKBCXEJA-TWASESMYSA-N 1 3 236.403 2.480 20 0 BEADHO CC(C)(C)C1CCC([N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)CC1 ZINC001246660563 973073946 /nfs/dbraw/zinc/07/39/46/973073946.db2.gz VJERIBYKBCXEJA-TWASESMYSA-N 1 3 236.403 2.480 20 0 BEADHO COCC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246781032 973089108 /nfs/dbraw/zinc/08/91/08/973089108.db2.gz DBLNNVGKJGDULP-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246781032 973089124 /nfs/dbraw/zinc/08/91/24/973089124.db2.gz DBLNNVGKJGDULP-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CC([N@@H+]2CCCC3(CNC3)C2)C[C@@H](C)C1 ZINC001246794266 973097826 /nfs/dbraw/zinc/09/78/26/973097826.db2.gz ZMEGEUCAROVEQS-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC([N@H+]2CCCC3(CNC3)C2)C[C@@H](C)C1 ZINC001246794266 973097838 /nfs/dbraw/zinc/09/78/38/973097838.db2.gz ZMEGEUCAROVEQS-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@@H+]2C[C@@H]3CCNC[C@H]3C2)CC1 ZINC001246846549 973147233 /nfs/dbraw/zinc/14/72/33/973147233.db2.gz OOBXKTQTQUVPOR-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC([N@H+]2C[C@@H]3CCNC[C@H]3C2)CC1 ZINC001246846549 973147254 /nfs/dbraw/zinc/14/72/54/973147254.db2.gz OOBXKTQTQUVPOR-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2(C)CC(F)(F)C2)CCN1 ZINC000720921531 973633440 /nfs/dbraw/zinc/63/34/40/973633440.db2.gz CTDCGGVNXWTWDL-ZJUUUORDSA-N 1 3 232.318 2.152 20 0 BEADHO c1cc2c[nH]cc(NC[C@H]3CCCC[NH2+]3)c-2n1 ZINC001171334332 973862797 /nfs/dbraw/zinc/86/27/97/973862797.db2.gz LLZSFOIDHMDPRL-LLVKDONJSA-N 1 3 230.315 2.117 20 0 BEADHO c1cc2cncc(NC[C@H]3CCCC[NH2+]3)c2[nH]1 ZINC001171334332 973862803 /nfs/dbraw/zinc/86/28/03/973862803.db2.gz LLZSFOIDHMDPRL-LLVKDONJSA-N 1 3 230.315 2.117 20 0 BEADHO C[NH+]1C(C)(C)CC(N2CCC2)CC1(C)C ZINC001171629517 974107789 /nfs/dbraw/zinc/10/77/89/974107789.db2.gz VCLFJLMBEJPXBZ-UHFFFAOYSA-N 1 3 210.365 2.344 20 0 BEADHO CN1C(C)(C)CC([NH+]2CCC2)CC1(C)C ZINC001171629517 974107791 /nfs/dbraw/zinc/10/77/91/974107791.db2.gz VCLFJLMBEJPXBZ-UHFFFAOYSA-N 1 3 210.365 2.344 20 0 BEADHO C[NH+]1C(C)(C)CC(NC[C@H]2CCO2)CC1(C)C ZINC001171622254 974112839 /nfs/dbraw/zinc/11/28/39/974112839.db2.gz YJXUHFQIYCXDHH-GFCCVEGCSA-N 1 3 240.391 2.016 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CF)CC1)C2 ZINC001172101178 974333222 /nfs/dbraw/zinc/33/32/22/974333222.db2.gz XESAEWKNTLPRTL-ZSBIGDGJSA-N 1 3 226.339 2.093 20 0 BEADHO C[C@@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098428 974340953 /nfs/dbraw/zinc/34/09/53/974340953.db2.gz DWPHZWXIDWHONC-FVCCEPFGSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098428 974340957 /nfs/dbraw/zinc/34/09/57/974340957.db2.gz DWPHZWXIDWHONC-FVCCEPFGSA-N 1 3 248.374 2.091 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156397 974341212 /nfs/dbraw/zinc/34/12/12/974341212.db2.gz QMNIKRVMJWIZPQ-ZIAGYGMSSA-N 1 3 236.334 2.256 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)oc1C ZINC001206164076 974630002 /nfs/dbraw/zinc/63/00/02/974630002.db2.gz JEWVGTOMJNUZKN-STQMWFEESA-N 1 3 240.322 2.158 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)oc1C ZINC001206164076 974630007 /nfs/dbraw/zinc/63/00/07/974630007.db2.gz JEWVGTOMJNUZKN-STQMWFEESA-N 1 3 240.322 2.158 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@H](C)Cc1ccccc1F ZINC001331820917 974828358 /nfs/dbraw/zinc/82/83/58/974828358.db2.gz KMUBDWGWYYVBDS-NWDGAFQWSA-N 1 3 238.350 2.344 20 0 BEADHO Cc1ccsc1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206166600 974879422 /nfs/dbraw/zinc/87/94/22/974879422.db2.gz SSBOQKLITYFDEG-MNOVXSKESA-N 1 3 242.363 2.318 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@H]2C1 ZINC001204089637 974879865 /nfs/dbraw/zinc/87/98/65/974879865.db2.gz PUGZMSHURQBHBW-QPSCCSFWSA-N 1 3 234.387 2.273 20 0 BEADHO CCc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC001173241572 975166231 /nfs/dbraw/zinc/16/62/31/975166231.db2.gz OJKYVVIHYXRRLU-CHWSQXEVSA-N 1 3 234.387 2.364 20 0 BEADHO CCSC[C@@H](C)N1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001173307682 975215351 /nfs/dbraw/zinc/21/53/51/975215351.db2.gz IRLUJQRTHQEAAV-UPJWGTAASA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@@H](C)N1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001173307682 975215362 /nfs/dbraw/zinc/21/53/62/975215362.db2.gz IRLUJQRTHQEAAV-UPJWGTAASA-N 1 3 242.432 2.012 20 0 BEADHO Cc1ccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC001332877635 975305562 /nfs/dbraw/zinc/30/55/62/975305562.db2.gz IPQWTGWOGMJESN-CABCVRRESA-N 1 3 244.382 2.397 20 0 BEADHO CN(C)Cc1ccccc1O[C@@H]1CCC[N@H+](C)C1 ZINC001229699277 976950980 /nfs/dbraw/zinc/95/09/80/976950980.db2.gz MIJKMXOPJICLCI-CQSZACIVSA-N 1 3 248.370 2.221 20 0 BEADHO CN(C)Cc1ccccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229699277 976950987 /nfs/dbraw/zinc/95/09/87/976950987.db2.gz MIJKMXOPJICLCI-CQSZACIVSA-N 1 3 248.370 2.221 20 0 BEADHO CC[N@@H+]1CC[C@@H](Oc2ccccc2CN(C)C)C1 ZINC001229699993 976952067 /nfs/dbraw/zinc/95/20/67/976952067.db2.gz UJRNYRJWGOBWDG-CQSZACIVSA-N 1 3 248.370 2.221 20 0 BEADHO CC[N@H+]1CC[C@@H](Oc2ccccc2CN(C)C)C1 ZINC001229699993 976952077 /nfs/dbraw/zinc/95/20/77/976952077.db2.gz UJRNYRJWGOBWDG-CQSZACIVSA-N 1 3 248.370 2.221 20 0 BEADHO CC/C=C\CCCN1CC[NH2+]C[C@H](C)C1 ZINC001206269520 978016533 /nfs/dbraw/zinc/01/65/33/978016533.db2.gz POKNZHHJIQSWKS-ZFDPJTLLSA-N 1 3 210.365 2.274 20 0 BEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccncc1 ZINC001336908700 978048061 /nfs/dbraw/zinc/04/80/61/978048061.db2.gz GVRINRUBFFVBER-OCCSQVGLSA-N 1 3 231.343 2.145 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@@H+](C2CCC2)C1 ZINC001339458379 978855243 /nfs/dbraw/zinc/85/52/43/978855243.db2.gz IYPYTFRMLARDRE-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@H+](C2CCC2)C1 ZINC001339458379 978855246 /nfs/dbraw/zinc/85/52/46/978855246.db2.gz IYPYTFRMLARDRE-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO CCCC[C@@H](CC)C[N@@H+]1CCC2(CNC2)C1 ZINC001235024915 978955966 /nfs/dbraw/zinc/95/59/66/978955966.db2.gz SNZYEYBAAZIHLR-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCCC[C@@H](CC)C[N@H+]1CCC2(CNC2)C1 ZINC001235024915 978955969 /nfs/dbraw/zinc/95/59/69/978955969.db2.gz SNZYEYBAAZIHLR-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCC3(CNC3)C2)CC1 ZINC001235024001 978956300 /nfs/dbraw/zinc/95/63/00/978956300.db2.gz JGHYLWARNPBBDX-ZIAGYGMSSA-N 1 3 234.387 2.274 20 0 BEADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CCC3(CNC3)C2)CC1 ZINC001235024001 978956304 /nfs/dbraw/zinc/95/63/04/978956304.db2.gz JGHYLWARNPBBDX-ZIAGYGMSSA-N 1 3 234.387 2.274 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC3(CNC3)C2)CC1 ZINC001235023998 978956355 /nfs/dbraw/zinc/95/63/55/978956355.db2.gz JGHYLWARNPBBDX-KBPBESRZSA-N 1 3 234.387 2.274 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC3(CNC3)C2)CC1 ZINC001235023998 978956359 /nfs/dbraw/zinc/95/63/59/978956359.db2.gz JGHYLWARNPBBDX-KBPBESRZSA-N 1 3 234.387 2.274 20 0 BEADHO C[C@@H](CCN1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235211544 978998730 /nfs/dbraw/zinc/99/87/30/978998730.db2.gz XLWWUBYWJDUQTE-WUHRBBMRSA-N 1 3 224.392 2.338 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CNCC[C@H]21 ZINC001235256718 979009681 /nfs/dbraw/zinc/00/96/81/979009681.db2.gz GKKHGQNUBMECQU-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CNCC[C@H]21 ZINC001235256723 979010660 /nfs/dbraw/zinc/01/06/60/979010660.db2.gz GKKHGQNUBMECQU-MELADBBJSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235284139 979017479 /nfs/dbraw/zinc/01/74/79/979017479.db2.gz UGLNMQLGIGRNLH-YIYPIFLZSA-N 1 3 222.376 2.258 20 0 BEADHO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235284139 979017484 /nfs/dbraw/zinc/01/74/84/979017484.db2.gz UGLNMQLGIGRNLH-YIYPIFLZSA-N 1 3 222.376 2.258 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235404152 979037468 /nfs/dbraw/zinc/03/74/68/979037468.db2.gz MTHQUWHGGKRQOU-KBPBESRZSA-N 1 3 242.382 2.446 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235404152 979037474 /nfs/dbraw/zinc/03/74/74/979037474.db2.gz MTHQUWHGGKRQOU-KBPBESRZSA-N 1 3 242.382 2.446 20 0 BEADHO Cc1ccc2c(c1)C1(CC2)CC[NH+](CCN)CC1 ZINC001235607173 979105579 /nfs/dbraw/zinc/10/55/79/979105579.db2.gz KPHGBNBOBJSLTJ-UHFFFAOYSA-N 1 3 244.382 2.234 20 0 BEADHO CCc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235958235 979225592 /nfs/dbraw/zinc/22/55/92/979225592.db2.gz AWYRPYUDRJZUJG-MUJYYYPQSA-N 1 3 244.382 2.418 20 0 BEADHO Cc1cccc(CCN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235958692 979225863 /nfs/dbraw/zinc/22/58/63/979225863.db2.gz ITYYRPCSEBWWOW-MUJYYYPQSA-N 1 3 244.382 2.207 20 0 BEADHO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c(C)c1 ZINC001235960473 979230590 /nfs/dbraw/zinc/23/05/90/979230590.db2.gz WRTRFRFBWNJDAF-MUJYYYPQSA-N 1 3 244.382 2.473 20 0 BEADHO N[C@@]12CC[C@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984200 979264480 /nfs/dbraw/zinc/26/44/80/979264480.db2.gz BCWJNGQVQUJSEO-DZGCQCFKSA-N 1 3 242.322 2.356 20 0 BEADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984200 979264491 /nfs/dbraw/zinc/26/44/91/979264491.db2.gz BCWJNGQVQUJSEO-DZGCQCFKSA-N 1 3 242.322 2.356 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984211 979268761 /nfs/dbraw/zinc/26/87/61/979268761.db2.gz BCWJNGQVQUJSEO-UKRRQHHQSA-N 1 3 242.322 2.356 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984211 979268765 /nfs/dbraw/zinc/26/87/65/979268765.db2.gz BCWJNGQVQUJSEO-UKRRQHHQSA-N 1 3 242.322 2.356 20 0 BEADHO CC1CC(C[N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC001341375592 979363342 /nfs/dbraw/zinc/36/33/42/979363342.db2.gz OFGMKYZPFJTEOL-RUXDESIVSA-N 1 3 224.392 2.449 20 0 BEADHO CC1CC(C[N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC001341375592 979363350 /nfs/dbraw/zinc/36/33/50/979363350.db2.gz OFGMKYZPFJTEOL-RUXDESIVSA-N 1 3 224.392 2.449 20 0 BEADHO Cc1ccc(C[N@@H+]2CCCN[C@@H](C)C2)c(C)c1 ZINC001236097085 979384671 /nfs/dbraw/zinc/38/46/71/979384671.db2.gz HLVCFSJYAGBWAC-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C[N@H+]2CCCN[C@@H](C)C2)c(C)c1 ZINC001236097085 979384687 /nfs/dbraw/zinc/38/46/87/979384687.db2.gz HLVCFSJYAGBWAC-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2CCNCC[C@@H]2C)c1 ZINC000085622261 979522592 /nfs/dbraw/zinc/52/25/92/979522592.db2.gz JXIVGSKNXLHXAX-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2CCNCC[C@@H]2C)c1 ZINC000085622261 979522605 /nfs/dbraw/zinc/52/26/05/979522605.db2.gz JXIVGSKNXLHXAX-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO C1=CC[C@@H](C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001184135742 979946893 /nfs/dbraw/zinc/94/68/93/979946893.db2.gz VPMJAMFFALEXTC-HIFRSBDPSA-N 1 3 234.387 2.274 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@@H]2C1 ZINC001184388522 980063273 /nfs/dbraw/zinc/06/32/73/980063273.db2.gz RBCSLZRMNBMZNS-XMEMRUQMSA-N 1 3 248.414 2.352 20 0 BEADHO Cc1cccc(CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205296213 980063900 /nfs/dbraw/zinc/06/39/00/980063900.db2.gz JANOXSIQWCHLAU-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@H+]2CC[C@@H](C)[C@@H](CN)C2)c1 ZINC001205296213 980063910 /nfs/dbraw/zinc/06/39/10/980063910.db2.gz JANOXSIQWCHLAU-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)c1 ZINC001205296213 980063917 /nfs/dbraw/zinc/06/39/17/980063917.db2.gz JANOXSIQWCHLAU-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC001184419315 980082758 /nfs/dbraw/zinc/08/27/58/980082758.db2.gz ZLTPHWPRJQRJFK-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCN1C[C@H]2C[NH+](Cc3ccccc3C)C[C@@H]2C1 ZINC001203713843 980856824 /nfs/dbraw/zinc/85/68/24/980856824.db2.gz YFCDRRSQPSCLRQ-HOTGVXAUSA-N 1 3 244.382 2.379 20 0 BEADHO C[C@@H](CNc1ccncc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001347773127 981167945 /nfs/dbraw/zinc/16/79/45/981167945.db2.gz UBXIWHSLLFJHHY-OLZOCXBDSA-N 1 3 233.359 2.036 20 0 BEADHO C[C@@H](CNc1ccncc1)[N@H+]1CCC[C@@H](C)C1 ZINC001347773127 981167949 /nfs/dbraw/zinc/16/79/49/981167949.db2.gz UBXIWHSLLFJHHY-OLZOCXBDSA-N 1 3 233.359 2.036 20 0 BEADHO CN(Cc1ccc(C2=CC[NH2+]CC2)nc1)C1CC1 ZINC001240466393 981398613 /nfs/dbraw/zinc/39/86/13/981398613.db2.gz GARHFYCNOBZGDW-UHFFFAOYSA-N 1 3 243.354 2.053 20 0 BEADHO CN1CCc2ccc(C3=CC[NH2+]CC3)cc2C1 ZINC001240470857 981407190 /nfs/dbraw/zinc/40/71/90/981407190.db2.gz VPBLUVJECOPCMH-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO C(c1cc2[nH]ccc2cn1)=C1CC[NH2+]CC1 ZINC001240874138 981917551 /nfs/dbraw/zinc/91/75/51/981917551.db2.gz QEOPBNVUHPTUBG-UHFFFAOYSA-N 1 3 213.284 2.330 20 0 BEADHO CN1CC=C(c2cccc3c2C[NH2+]CC3)CC1 ZINC001241328096 982487129 /nfs/dbraw/zinc/48/71/29/982487129.db2.gz WYJJMQUTUDBTCY-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccncc1 ZINC001354019911 983117779 /nfs/dbraw/zinc/11/77/79/983117779.db2.gz XTOBXIRDLMNPDX-ZDUSSCGKSA-N 1 3 233.359 2.036 20 0 BEADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccncc1 ZINC001354019911 983117784 /nfs/dbraw/zinc/11/77/84/983117784.db2.gz XTOBXIRDLMNPDX-ZDUSSCGKSA-N 1 3 233.359 2.036 20 0 BEADHO CN1CC2(C1)CC[NH+](CC(C)(C)C)CC2 ZINC001201441377 983246734 /nfs/dbraw/zinc/24/67/34/983246734.db2.gz DCJQUDKRBCGPSG-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C1CC[NH+](CCC(C)C)CC1 ZINC001201630042 983359950 /nfs/dbraw/zinc/35/99/50/983359950.db2.gz JABUQYJMWJSWAI-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO CCCCC[C@@H](O)CNCCC[NH+](CC)CC ZINC001253522362 984192767 /nfs/dbraw/zinc/19/27/67/984192767.db2.gz KSZHMNSDFCZXSX-CQSZACIVSA-N 1 3 244.423 2.249 20 0 BEADHO CN1CCCC[C@@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108276 984556849 /nfs/dbraw/zinc/55/68/49/984556849.db2.gz NYLJPWKBALKAOS-OAHLLOKOSA-N 1 3 243.354 2.225 20 0 BEADHO C[N@@H+]1CCCC2(CCN(Cc3cc[nH]c3)CC2)C1 ZINC001276103786 984817454 /nfs/dbraw/zinc/81/74/54/984817454.db2.gz POHIGQMYTCOGLS-UHFFFAOYSA-N 1 3 247.386 2.323 20 0 BEADHO C[N@H+]1CCCC2(CCN(Cc3cc[nH]c3)CC2)C1 ZINC001276103786 984817464 /nfs/dbraw/zinc/81/74/64/984817464.db2.gz POHIGQMYTCOGLS-UHFFFAOYSA-N 1 3 247.386 2.323 20 0 BEADHO CO[C@H](CN[C@@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912784 985512430 /nfs/dbraw/zinc/51/24/30/985512430.db2.gz MENBBCLCOXQBFF-RYUDHWBXSA-N 1 3 230.396 2.011 20 0 BEADHO CO[C@@H](CN[C@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912785 985516142 /nfs/dbraw/zinc/51/61/42/985516142.db2.gz MENBBCLCOXQBFF-VXGBXAGGSA-N 1 3 230.396 2.011 20 0 BEADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCN2)cc1 ZINC001579192720 985821184 /nfs/dbraw/zinc/82/11/84/985821184.db2.gz HLRVHCRVJHMDNG-YRGRVCCFSA-N 1 3 248.370 2.139 20 0 BEADHO C[C@@H](C[NH3+])NCCc1cc(Cl)cc(Cl)c1 ZINC001579395912 985873011 /nfs/dbraw/zinc/87/30/11/985873011.db2.gz SHPWOOCPPJPYAM-QMMMGPOBSA-N 1 3 247.169 2.473 20 0 BEADHO C[C@@H](CC1CC1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258474403 985943169 /nfs/dbraw/zinc/94/31/69/985943169.db2.gz TYZCILWVTHJAEN-LBPRGKRZSA-N 1 3 222.376 2.203 20 0 BEADHO Cc1ccc(CNCC2(C[NH3+])CCC2)cc1F ZINC001579696801 986194601 /nfs/dbraw/zinc/19/46/01/986194601.db2.gz GBZDXZBRBHZBTE-UHFFFAOYSA-N 1 3 236.334 2.353 20 0 BEADHO Cc1cccc(C[NH2+][C@]2(CN)CCCC[C@@H]2C)n1 ZINC001579760190 986209521 /nfs/dbraw/zinc/20/95/21/986209521.db2.gz BAMWMYMDFMASTP-WFASDCNBSA-N 1 3 247.386 2.387 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(CC2CCC2)CC1 ZINC001202792159 986309092 /nfs/dbraw/zinc/30/90/92/986309092.db2.gz JYKJUKLWXCHUAG-UHFFFAOYSA-N 1 3 245.370 2.312 20 0 BEADHO NC1CC([NH2+]CCC[C@H]2CC2(Cl)Cl)C1 ZINC001580167019 986642106 /nfs/dbraw/zinc/64/21/06/986642106.db2.gz ZAJJGPOMOWFHHD-UEJVZZJDSA-N 1 3 237.174 2.040 20 0 BEADHO [NH3+]CC1(CN2CC[C@H]2Cc2ccccc2)CC1 ZINC001580243956 986694411 /nfs/dbraw/zinc/69/44/11/986694411.db2.gz NGNMWYLETCDJJB-AWEZNQCLSA-N 1 3 230.355 2.042 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC001580258256 986716560 /nfs/dbraw/zinc/71/65/60/986716560.db2.gz LGXPSWIIKGJBMB-BEAPCOKYSA-N 1 3 248.345 2.341 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](CCCO)C(C)C ZINC001255964432 987102081 /nfs/dbraw/zinc/10/20/81/987102081.db2.gz SIGWSCAXHAVEAE-AWEZNQCLSA-N 1 3 244.423 2.200 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](CCCO)C(C)C ZINC001255964432 987102094 /nfs/dbraw/zinc/10/20/94/987102094.db2.gz SIGWSCAXHAVEAE-AWEZNQCLSA-N 1 3 244.423 2.200 20 0 BEADHO CC(C)([NH3+])c1ccc(-c2ccnc(CN)c2)cc1 ZINC001245909383 987135123 /nfs/dbraw/zinc/13/51/23/987135123.db2.gz NPPGRXUIVRZQDV-UHFFFAOYSA-N 1 3 241.338 2.401 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657812 987288543 /nfs/dbraw/zinc/28/85/43/987288543.db2.gz AIQKXNBCFRNUME-IIZVFWCOSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657812 987288549 /nfs/dbraw/zinc/28/85/49/987288549.db2.gz AIQKXNBCFRNUME-IIZVFWCOSA-N 1 3 236.403 2.482 20 0 BEADHO CCC(C)(C)[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000695155655 987334415 /nfs/dbraw/zinc/33/44/15/987334415.db2.gz ZMEUBRDOPVCUAK-BSCCGWMCSA-N 1 3 236.403 2.397 20 0 BEADHO CC1(C)CN(C[C@H]2CCCC[NH2+]C2)CCS1 ZINC000697054715 987347191 /nfs/dbraw/zinc/34/71/91/987347191.db2.gz DSPWJTZBILRIJP-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H](CC[NH2+]CC1(C)CCCC1)N(C)C ZINC000697823885 987365795 /nfs/dbraw/zinc/36/57/95/987365795.db2.gz JLKXBZPTDOUSQC-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCN[C@H](C)C2)cc1 ZINC001246094066 987402344 /nfs/dbraw/zinc/40/23/44/987402344.db2.gz FORSHUAZPVABPG-HIFRSBDPSA-N 1 3 232.371 2.268 20 0 BEADHO C1CC12CCC([NH2+][C@H]1CNCC13CC3)CC2 ZINC001246133408 987489459 /nfs/dbraw/zinc/48/94/59/987489459.db2.gz NUMVBNNELROZRA-LBPRGKRZSA-N 1 3 220.360 2.051 20 0 BEADHO C1CC12CNC[C@H]2[NH2+]C1CCCCCC1 ZINC001246137163 987492563 /nfs/dbraw/zinc/49/25/63/987492563.db2.gz ZKOWSNMRURQFPB-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147888 987501816 /nfs/dbraw/zinc/50/18/16/987501816.db2.gz LBHJASKSCWHGJJ-MEBFFEOJSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CCCc2cccs2)CCN1 ZINC001246171512 987540258 /nfs/dbraw/zinc/54/02/58/987540258.db2.gz WHLQINKITSLFKF-NWDGAFQWSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H]1C[C@@H](NC[C@@H]2CC[NH2+]2)CC(C)(C)C1 ZINC001246192669 987577855 /nfs/dbraw/zinc/57/78/55/987577855.db2.gz JHPGLFIUQJOVBS-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2Cc3cccc(F)c3C2)C1 ZINC001246205273 987599642 /nfs/dbraw/zinc/59/96/42/987599642.db2.gz KMKDATUIJBEPIS-UPJWGTAASA-N 1 3 248.345 2.152 20 0 BEADHO CCC1([NH2+][C@@H]2CN[C@@H](C)C2)CCCCC1 ZINC001246253245 987653940 /nfs/dbraw/zinc/65/39/40/987653940.db2.gz DDLJPYKBZYOWQK-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1CC[C@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246264694 987658018 /nfs/dbraw/zinc/65/80/18/987658018.db2.gz OPSPVZOOYBNHSQ-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH2+]CCN[C@H](CC)CC(C)C ZINC001246273329 987665333 /nfs/dbraw/zinc/66/53/33/987665333.db2.gz YXNOZVFXUVHHGT-GFCCVEGCSA-N 1 3 200.370 2.400 20 0 BEADHO Cc1ccc(C[C@@H](C)NC[C@H]([NH3+])C(C)C)cc1 ZINC001246333504 987741615 /nfs/dbraw/zinc/74/16/15/987741615.db2.gz RABNKXOZUHFBTK-HIFRSBDPSA-N 1 3 234.387 2.499 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC001246333956 987743204 /nfs/dbraw/zinc/74/32/04/987743204.db2.gz SQSCZDJTWXXKFS-QNWHQSFQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246336137 987746429 /nfs/dbraw/zinc/74/64/29/987746429.db2.gz SQSCZDJTWXXKFS-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C(N[C@@H]1CCC[NH2+]C1)C1(CC2CCC2)CC1 ZINC001246376128 987774740 /nfs/dbraw/zinc/77/47/40/987774740.db2.gz LXGLTVWWYVVGFN-CYBMUJFWSA-N 1 3 222.376 2.298 20 0 BEADHO CC(C)(C[NH2+]C1CCNCC1)CC1CC1 ZINC001246431574 987796079 /nfs/dbraw/zinc/79/60/79/987796079.db2.gz LJQSDCQAVWFHEY-UHFFFAOYSA-N 1 3 210.365 2.154 20 0 BEADHO Fc1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)CC2 ZINC001246399568 987784376 /nfs/dbraw/zinc/78/43/76/987784376.db2.gz ZKOOEWOGJYJDOU-OAHLLOKOSA-N 1 3 248.345 2.025 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccncc2)CCN1 ZINC001246410862 987789771 /nfs/dbraw/zinc/78/97/71/987789771.db2.gz YEMGNGIQEFXSTH-JSGCOSHPSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2(CC3CC3)CC2)CCN1 ZINC001246445157 987804098 /nfs/dbraw/zinc/80/40/98/987804098.db2.gz MYLCSHXSGNBDJQ-PWSUYJOCSA-N 1 3 208.349 2.049 20 0 BEADHO CC[C@@]1([NH2+]C2CCC(C)CC2)CCNC1 ZINC001246459184 987816821 /nfs/dbraw/zinc/81/68/21/987816821.db2.gz JMJQNPQHLPWONF-WXRRBKDZSA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1C[C@H]([NH2+]C2CCCCCCC2)C1 ZINC001246459367 987817408 /nfs/dbraw/zinc/81/74/08/987817408.db2.gz GJZIBMHLBLJDNS-JOCQHMNTSA-N 1 3 210.365 2.439 20 0 BEADHO CC(C)[NH2+]CCN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001246467629 987825805 /nfs/dbraw/zinc/82/58/05/987825805.db2.gz ZJJFXJNEVGWQBZ-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1Cc2cccc(F)c2C1 ZINC001246477757 987835477 /nfs/dbraw/zinc/83/54/77/987835477.db2.gz KHBCWXQWBLGRQU-DFBGVHRSSA-N 1 3 248.345 2.152 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246493605 987846387 /nfs/dbraw/zinc/84/63/87/987846387.db2.gz ILPDFIFQCOYMSG-FHUSYTEZSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC001246493826 987846460 /nfs/dbraw/zinc/84/64/60/987846460.db2.gz GJZIBMHLBLJDNS-BETUJISGSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246493604 987847688 /nfs/dbraw/zinc/84/76/88/987847688.db2.gz ILPDFIFQCOYMSG-DDHJBXDOSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC001246495312 987851041 /nfs/dbraw/zinc/85/10/41/987851041.db2.gz JCMQCZMQVGTARB-UPJWGTAASA-N 1 3 210.365 2.461 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c(C)cccc3C2)C1 ZINC001246496212 987851281 /nfs/dbraw/zinc/85/12/81/987851281.db2.gz NNFVKQZKIDPQQP-KFWWJZLASA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@@H](N[C@@H]2CCc3c(C)cccc3C2)C1 ZINC001246496212 987851285 /nfs/dbraw/zinc/85/12/85/987851285.db2.gz NNFVKQZKIDPQQP-KFWWJZLASA-N 1 3 244.382 2.192 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@](C)(N)C2)cc1 ZINC001246526777 987876132 /nfs/dbraw/zinc/87/61/32/987876132.db2.gz BTBZSQIMPJGXKD-HIFRSBDPSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@H+]2CC[C@](C)(N)C2)cc1 ZINC001246526777 987876135 /nfs/dbraw/zinc/87/61/35/987876135.db2.gz BTBZSQIMPJGXKD-HIFRSBDPSA-N 1 3 232.371 2.349 20 0 BEADHO CC1(F)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246553034 987953469 /nfs/dbraw/zinc/95/34/69/987953469.db2.gz RDFBRNGTQNQHKU-FOSCPWQOSA-N 1 3 226.339 2.093 20 0 BEADHO C[NH2+]C[C@H](C)CNCc1cccc2cnccc21 ZINC001117953137 987967119 /nfs/dbraw/zinc/96/71/19/987967119.db2.gz ARINSJDWDZUUIU-LBPRGKRZSA-N 1 3 243.354 2.180 20 0 BEADHO C[C@H]1CCN(C2CC[NH2+]CC2)CCC1(F)F ZINC001246563000 988008750 /nfs/dbraw/zinc/00/87/50/988008750.db2.gz BXVLVDZXORPUQI-JTQLQIEISA-N 1 3 232.318 2.106 20 0 BEADHO C[C@H]1CC[N@@H+](C2CCNCC2)CCC1(F)F ZINC001246563000 988008772 /nfs/dbraw/zinc/00/87/72/988008772.db2.gz BXVLVDZXORPUQI-JTQLQIEISA-N 1 3 232.318 2.106 20 0 BEADHO C[C@H]1CC[N@H+](C2CCNCC2)CCC1(F)F ZINC001246563000 988008789 /nfs/dbraw/zinc/00/87/89/988008789.db2.gz BXVLVDZXORPUQI-JTQLQIEISA-N 1 3 232.318 2.106 20 0 BEADHO CC1([NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC001118118914 988021996 /nfs/dbraw/zinc/02/19/96/988021996.db2.gz KQDNVEDJDQBJML-NEPJUHHUSA-N 1 3 202.301 2.273 20 0 BEADHO Cc1cccc2c1CN([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246566666 988032447 /nfs/dbraw/zinc/03/24/47/988032447.db2.gz IPSNYJRUCORMBQ-TZMCWYRMSA-N 1 3 230.355 2.451 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CCN1 ZINC001246578157 988091282 /nfs/dbraw/zinc/09/12/82/988091282.db2.gz YJQMPHGCOLYBLB-XJFOESAGSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@@H](C)C2)CCN1 ZINC001246578157 988091265 /nfs/dbraw/zinc/09/12/65/988091265.db2.gz YJQMPHGCOLYBLB-XJFOESAGSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1CC[C@@H](N2CC(C)(C[NH3+])C2)C[C@H]1C ZINC001246586493 988150129 /nfs/dbraw/zinc/15/01/29/988150129.db2.gz BFKBSLADLIXBPI-IJLUTSLNSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CC[C@@H]([NH+]2CC(C)(CN)C2)C[C@H]1C ZINC001246586493 988150141 /nfs/dbraw/zinc/15/01/41/988150141.db2.gz BFKBSLADLIXBPI-IJLUTSLNSA-N 1 3 210.365 2.092 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)N1CC(C[NH3+])C1 ZINC001246594087 988189959 /nfs/dbraw/zinc/18/99/59/988189959.db2.gz JSJLJIJMPVOTKF-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCCC[C@@H](CCC)N1CC(C[NH2+]C)C1 ZINC001246601469 988207328 /nfs/dbraw/zinc/20/73/28/988207328.db2.gz UDYMHYYXSMPTQZ-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](CC1CC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246613395 988238353 /nfs/dbraw/zinc/23/83/53/988238353.db2.gz YWYDPKQYAJYZID-GXTWGEPZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H](CC1CC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246613395 988238365 /nfs/dbraw/zinc/23/83/65/988238365.db2.gz YWYDPKQYAJYZID-GXTWGEPZSA-N 1 3 222.376 2.393 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC2(CNC2)C1 ZINC001246631534 988303531 /nfs/dbraw/zinc/30/35/31/988303531.db2.gz QHWNROSGGDKQJX-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC2(CNC2)C1 ZINC001246631534 988303547 /nfs/dbraw/zinc/30/35/47/988303547.db2.gz QHWNROSGGDKQJX-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1CCC2(CNC2)C1 ZINC001246631533 988306481 /nfs/dbraw/zinc/30/64/81/988306481.db2.gz QHWNROSGGDKQJX-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[N@H+]1CCC2(CNC2)C1 ZINC001246631533 988306494 /nfs/dbraw/zinc/30/64/94/988306494.db2.gz QHWNROSGGDKQJX-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640475 988338291 /nfs/dbraw/zinc/33/82/91/988338291.db2.gz UONSFSKAHKTOKM-NNYUYHANSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640475 988338302 /nfs/dbraw/zinc/33/83/02/988338302.db2.gz UONSFSKAHKTOKM-NNYUYHANSA-N 1 3 244.329 2.104 20 0 BEADHO CC[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246644305 988355871 /nfs/dbraw/zinc/35/58/71/988355871.db2.gz SBRGLLAOYXLWIT-MROQNXINSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CCC(N2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246654112 988378558 /nfs/dbraw/zinc/37/85/58/988378558.db2.gz UJGSUBGZPRQSQY-WCQYABFASA-N 1 3 222.376 2.249 20 0 BEADHO CCCC[N@H+](CCC)[C@@H](C)CCNC ZINC001246773956 988457014 /nfs/dbraw/zinc/45/70/14/988457014.db2.gz DLJNWFRNIVMSQM-LBPRGKRZSA-N 1 3 200.370 2.497 20 0 BEADHO CCCC[N@@H+](CCC)[C@@H](C)CCNC ZINC001246773956 988457019 /nfs/dbraw/zinc/45/70/19/988457019.db2.gz DLJNWFRNIVMSQM-LBPRGKRZSA-N 1 3 200.370 2.497 20 0 BEADHO CCCOC1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246788744 988468004 /nfs/dbraw/zinc/46/80/04/988468004.db2.gz ILBKGFYXUYPZJH-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CCCOC1CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC001246788744 988468012 /nfs/dbraw/zinc/46/80/12/988468012.db2.gz ILBKGFYXUYPZJH-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246842844 988546441 /nfs/dbraw/zinc/54/64/41/988546441.db2.gz DZLBQQYOQMZFTN-BFHYXJOUSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC001246842844 988546451 /nfs/dbraw/zinc/54/64/51/988546451.db2.gz DZLBQQYOQMZFTN-BFHYXJOUSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246842845 988550655 /nfs/dbraw/zinc/55/06/55/988550655.db2.gz DZLBQQYOQMZFTN-HZSPNIEDSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246842845 988550668 /nfs/dbraw/zinc/55/06/68/988550668.db2.gz DZLBQQYOQMZFTN-HZSPNIEDSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](Cc1ccccc1)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246851719 988573359 /nfs/dbraw/zinc/57/33/59/988573359.db2.gz GSXIIWDIUCXZFA-ARFHVFGLSA-N 1 3 244.382 2.431 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895949 988670025 /nfs/dbraw/zinc/67/00/25/988670025.db2.gz RKWFQJWLQWPNCK-IJLUTSLNSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C)C2)C2(CC2)C1 ZINC001246895949 988670027 /nfs/dbraw/zinc/67/00/27/988670027.db2.gz RKWFQJWLQWPNCK-IJLUTSLNSA-N 1 3 208.349 2.001 20 0 BEADHO CCCC[C@@H](CCC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946816 988783442 /nfs/dbraw/zinc/78/34/42/988783442.db2.gz HVFDKURMROLXKI-MQYQWHSLSA-N 1 3 224.392 2.495 20 0 BEADHO CCCCC[C@H](CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246948968 988789127 /nfs/dbraw/zinc/78/91/27/988789127.db2.gz QZBQLRSJQCSGPA-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[N@H+](C1CCOCC1)[C@H]1CCN[C@H](C)C1 ZINC001246985034 988815848 /nfs/dbraw/zinc/81/58/48/988815848.db2.gz ORVSEZFBDKAZBN-OCCSQVGLSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[N@@H+](C1CCOCC1)[C@H]1CCN[C@H](C)C1 ZINC001246985034 988815852 /nfs/dbraw/zinc/81/58/52/988815852.db2.gz ORVSEZFBDKAZBN-OCCSQVGLSA-N 1 3 240.391 2.016 20 0 BEADHO CCCCC[C@@H](CC)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988936 988820865 /nfs/dbraw/zinc/82/08/65/988820865.db2.gz KWCPVCGPCPMGRN-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CNCC[C@@H](C)[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001247003606 988837121 /nfs/dbraw/zinc/83/71/21/988837121.db2.gz MXHAIUGQRLFYNB-JHJVBQTASA-N 1 3 212.381 2.495 20 0 BEADHO CNCC[C@@H](C)[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001247003606 988837125 /nfs/dbraw/zinc/83/71/25/988837125.db2.gz MXHAIUGQRLFYNB-JHJVBQTASA-N 1 3 212.381 2.495 20 0 BEADHO CN(C)C[C@@H]1CC[N@H+](CCCC(F)(F)F)C1 ZINC001119930628 989486067 /nfs/dbraw/zinc/48/60/67/989486067.db2.gz AUGLUAMLCFBTJY-JTQLQIEISA-N 1 3 238.297 2.212 20 0 BEADHO CN(C)C[C@@H]1CC[N@@H+](CCCC(F)(F)F)C1 ZINC001119930628 989486080 /nfs/dbraw/zinc/48/60/80/989486080.db2.gz AUGLUAMLCFBTJY-JTQLQIEISA-N 1 3 238.297 2.212 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)CCC2 ZINC001326459425 989568108 /nfs/dbraw/zinc/56/81/08/989568108.db2.gz OIUNSCVMIMNJSE-NWDGAFQWSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1(C)CC1 ZINC001326459538 989568437 /nfs/dbraw/zinc/56/84/37/989568437.db2.gz RGPXPIUZLMRXRD-SNVBAGLBSA-N 1 3 219.332 2.052 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)CCC2 ZINC001326459426 989568625 /nfs/dbraw/zinc/56/86/25/989568625.db2.gz OIUNSCVMIMNJSE-RYUDHWBXSA-N 1 3 232.371 2.391 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)[C@@H]2C1 ZINC001308554300 991036818 /nfs/dbraw/zinc/03/68/18/991036818.db2.gz NVQJHFJYTGZLGU-CFVMTHIKSA-N 1 3 248.345 2.256 20 0 BEADHO C[C@@H](Cc1ccco1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001258176202 991073329 /nfs/dbraw/zinc/07/33/29/991073329.db2.gz MRJOUFIMPYYTRA-FQUUOJAGSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H](Cc1ccco1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258176202 991073338 /nfs/dbraw/zinc/07/33/38/991073338.db2.gz MRJOUFIMPYYTRA-FQUUOJAGSA-N 1 3 248.370 2.425 20 0 BEADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccco1 ZINC001258176454 991075293 /nfs/dbraw/zinc/07/52/93/991075293.db2.gz VYEADXLWBIEPHD-GFCCVEGCSA-N 1 3 224.348 2.270 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccco1 ZINC001258176454 991075302 /nfs/dbraw/zinc/07/53/02/991075302.db2.gz VYEADXLWBIEPHD-GFCCVEGCSA-N 1 3 224.348 2.270 20 0 BEADHO CC(C)N(CCC[NH3+])[C@H](C)Cc1ccco1 ZINC001258176454 991075314 /nfs/dbraw/zinc/07/53/14/991075314.db2.gz VYEADXLWBIEPHD-GFCCVEGCSA-N 1 3 224.348 2.270 20 0 BEADHO C[C@H](Cc1ccco1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258194861 991105229 /nfs/dbraw/zinc/10/52/29/991105229.db2.gz LRTNSWINLFIYFC-HIFRSBDPSA-N 1 3 248.370 2.238 20 0 BEADHO C[C@H](Cc1ccco1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258194861 991105238 /nfs/dbraw/zinc/10/52/38/991105238.db2.gz LRTNSWINLFIYFC-HIFRSBDPSA-N 1 3 248.370 2.238 20 0 BEADHO C[C@@H](Cc1ccco1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258194858 991107822 /nfs/dbraw/zinc/10/78/22/991107822.db2.gz LRTNSWINLFIYFC-DZGCQCFKSA-N 1 3 248.370 2.238 20 0 BEADHO C[C@@H](Cc1ccco1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258194858 991107825 /nfs/dbraw/zinc/10/78/25/991107825.db2.gz LRTNSWINLFIYFC-DZGCQCFKSA-N 1 3 248.370 2.238 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)CCSC ZINC001258200852 991118658 /nfs/dbraw/zinc/11/86/58/991118658.db2.gz XSRXJXOSJVKQJS-LLVKDONJSA-N 1 3 218.410 2.189 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)CCSC ZINC001258200852 991118662 /nfs/dbraw/zinc/11/86/62/991118662.db2.gz XSRXJXOSJVKQJS-LLVKDONJSA-N 1 3 218.410 2.189 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]2C1 ZINC001560623369 991525452 /nfs/dbraw/zinc/52/54/52/991525452.db2.gz VGELHERJRJSIJZ-QEJZJMRPSA-N 1 3 248.345 2.256 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)N1CCOC[C@@H]1C ZINC001258907279 991894996 /nfs/dbraw/zinc/89/49/96/991894996.db2.gz HKWMHHKAZLQWMS-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@@H](C)CSC(C)(C)C ZINC001261423966 992293447 /nfs/dbraw/zinc/29/34/47/992293447.db2.gz JWQXYUOJQMHRRU-QWRGUYRKSA-N 1 3 232.437 2.494 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@H](C)CSC(C)(C)C ZINC001261423967 992296099 /nfs/dbraw/zinc/29/60/99/992296099.db2.gz JWQXYUOJQMHRRU-WDEREUQCSA-N 1 3 232.437 2.494 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2cc(C)ccc21 ZINC001261423935 992298669 /nfs/dbraw/zinc/29/86/69/992298669.db2.gz JBEAKDVOAZDMPV-IUODEOHRSA-N 1 3 232.371 2.427 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001474757406 992524944 /nfs/dbraw/zinc/52/49/44/992524944.db2.gz VSLRNXZGWWHELY-HTXSYXIBSA-N 1 3 236.403 2.351 20 0 BEADHO CC(C)(C)C1CC([NH2+]CC2(CN)CC2)C1 ZINC001575120714 992989011 /nfs/dbraw/zinc/98/90/11/992989011.db2.gz WTWIWDMZCLQVLS-UHFFFAOYSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1 ZINC001262671527 993012761 /nfs/dbraw/zinc/01/27/61/993012761.db2.gz IYBIUDJHOOKODO-HZSPNIEDSA-N 1 3 247.386 2.282 20 0 BEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1 ZINC001262671527 993012763 /nfs/dbraw/zinc/01/27/63/993012763.db2.gz IYBIUDJHOOKODO-HZSPNIEDSA-N 1 3 247.386 2.282 20 0 BEADHO CN(C)[C@@H](CNc1cc[nH+]cc1)c1ccsc1 ZINC001262671771 993012967 /nfs/dbraw/zinc/01/29/67/993012967.db2.gz SPEJRKGOTMPBBM-ZDUSSCGKSA-N 1 3 247.367 2.280 20 0 BEADHO CC(C)(N)C[NH2+]CCc1c(F)cccc1Cl ZINC001575357593 993019313 /nfs/dbraw/zinc/01/93/13/993019313.db2.gz BYHHFAHFNAXYSW-UHFFFAOYSA-N 1 3 244.741 2.349 20 0 BEADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001575423817 993040903 /nfs/dbraw/zinc/04/09/03/993040903.db2.gz YPBYGDFYDFQJPZ-UONOGXRCSA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC001575423817 993040910 /nfs/dbraw/zinc/04/09/10/993040910.db2.gz YPBYGDFYDFQJPZ-UONOGXRCSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H](CCc1ccccc1)C[NH2+]CC1CNC1 ZINC001575965594 993143766 /nfs/dbraw/zinc/14/37/66/993143766.db2.gz AGIUXFGRXKIFFV-ZDUSSCGKSA-N 1 3 232.371 2.064 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](N)C1)[C@@H]1CC2CCC1CC2 ZINC001576250371 993234724 /nfs/dbraw/zinc/23/47/24/993234724.db2.gz FKSGFBLSOYHODS-VKKCZRNHSA-N 1 3 222.376 2.281 20 0 BEADHO C[C@@H](CC1CC1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC000379855303 993289251 /nfs/dbraw/zinc/28/92/51/993289251.db2.gz BSZWEZJIMBIUCZ-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](CC1CC1)[N@H+]1CCCC[C@@H](CN)C1 ZINC000379855303 993289265 /nfs/dbraw/zinc/28/92/65/993289265.db2.gz BSZWEZJIMBIUCZ-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO [NH3+]C[C@@H]1CCCCN(Cc2ccsc2)C1 ZINC000379908978 993292544 /nfs/dbraw/zinc/29/25/44/993292544.db2.gz LJSBZNFMPKHUJB-NSHDSACASA-N 1 3 224.373 2.309 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576588577 993358445 /nfs/dbraw/zinc/35/84/45/993358445.db2.gz BUKAKPVVHFVGJM-WISYIIOYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@H]1CC(CC[NH2+]CC(C)(C)CN)C[C@H](C)O1 ZINC001576599861 993364201 /nfs/dbraw/zinc/36/42/01/993364201.db2.gz VYKOLVVETDXNML-RYUDHWBXSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877406 993429427 /nfs/dbraw/zinc/42/94/27/993429427.db2.gz NMNXCDDLJRNACS-FQUUOJAGSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877406 993429433 /nfs/dbraw/zinc/42/94/33/993429433.db2.gz NMNXCDDLJRNACS-FQUUOJAGSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877409 993430578 /nfs/dbraw/zinc/43/05/78/993430578.db2.gz NMNXCDDLJRNACS-YIYPIFLZSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877409 993430582 /nfs/dbraw/zinc/43/05/82/993430582.db2.gz NMNXCDDLJRNACS-YIYPIFLZSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[NH2+]C[C@@H](NCCC[C@@H]2C=CCC2)C1 ZINC001576849834 993435373 /nfs/dbraw/zinc/43/53/73/993435373.db2.gz LEBGHUARJKHCGK-MJBXVCDLSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@@H]1C[C@H](NC/C=C\C2CC2)CC[N@@H+]1C ZINC000382312861 993449057 /nfs/dbraw/zinc/44/90/57/993449057.db2.gz QPCUKPDTDLLCIG-CWBMUHOVSA-N 1 3 208.349 2.025 20 0 BEADHO C[C@@H]1C[C@H](NC/C=C\C2CC2)CC[N@H+]1C ZINC000382312861 993449064 /nfs/dbraw/zinc/44/90/64/993449064.db2.gz QPCUKPDTDLLCIG-CWBMUHOVSA-N 1 3 208.349 2.025 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000382356210 993453353 /nfs/dbraw/zinc/45/33/53/993453353.db2.gz IJGQKTAKXYVQMR-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@H]1C ZINC001577262528 993569198 /nfs/dbraw/zinc/56/91/98/993569198.db2.gz IPIHVMBYMIGTHE-XQQFMLRXSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@H]1C ZINC001577262528 993569214 /nfs/dbraw/zinc/56/92/14/993569214.db2.gz IPIHVMBYMIGTHE-XQQFMLRXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@H]1CCC[NH2+][C@@H]1C ZINC000384501866 993590425 /nfs/dbraw/zinc/59/04/25/993590425.db2.gz XGZFJQHKJRMXJW-JHJVBQTASA-N 1 3 236.359 2.188 20 0 BEADHO [NH3+][C@H]1CCCN(CCOCc2ccccc2)CC1 ZINC000393230943 993912948 /nfs/dbraw/zinc/91/29/48/993912948.db2.gz FLAAVNUUZWUACW-HNNXBMFYSA-N 1 3 248.370 2.016 20 0 BEADHO FC1(F)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000702855530 994053523 /nfs/dbraw/zinc/05/35/23/994053523.db2.gz CMCPPQVYFVODMK-FOSCPWQOSA-N 1 3 244.329 2.391 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)C1(C)CC1 ZINC000822125228 994419425 /nfs/dbraw/zinc/41/94/25/994419425.db2.gz RYOJCQFGHWWNOL-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)C1(C)CC1 ZINC000822125229 994421549 /nfs/dbraw/zinc/42/15/49/994421549.db2.gz RYOJCQFGHWWNOL-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001621108269 1170716794 /nfs/dbraw/zinc/71/67/94/1170716794.db2.gz KWWHDXMPDBDEPF-NIFZNCRKSA-N 1 3 236.403 2.495 20 0 BEADHO C1=C(CCN[C@H]2CCC[NH2+]C2)CCCC1 ZINC000043324438 1171280163 /nfs/dbraw/zinc/28/01/63/1171280163.db2.gz DBGAZDJDQQFRPV-ZDUSSCGKSA-N 1 3 208.349 2.219 20 0 BEADHO CCCC[C@H](CC)C[N@H+](C)CCCN ZINC000043454489 1171287728 /nfs/dbraw/zinc/28/77/28/1171287728.db2.gz HXASIGVEWQOPLT-LBPRGKRZSA-N 1 3 200.370 2.483 20 0 BEADHO CCCC[C@H](CC)C[N@@H+](C)CCCN ZINC000043454489 1171287733 /nfs/dbraw/zinc/28/77/33/1171287733.db2.gz HXASIGVEWQOPLT-LBPRGKRZSA-N 1 3 200.370 2.483 20 0 BEADHO CNCC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000052346745 1171956976 /nfs/dbraw/zinc/95/69/76/1171956976.db2.gz SQWUMYCYNZMVLN-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CNCC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC000052346745 1171956981 /nfs/dbraw/zinc/95/69/81/1171956981.db2.gz SQWUMYCYNZMVLN-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000548918498 398138876 /nfs/dbraw/zinc/13/88/76/398138876.db2.gz AWNOTSNGIQMCNR-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000548918498 398138879 /nfs/dbraw/zinc/13/88/79/398138879.db2.gz AWNOTSNGIQMCNR-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H](C)C[C@H]1C ZINC000548918498 398138881 /nfs/dbraw/zinc/13/88/81/398138881.db2.gz AWNOTSNGIQMCNR-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](CN)C1 ZINC000300932629 349452753 /nfs/dbraw/zinc/45/27/53/349452753.db2.gz NYEIBRCAASJISC-CHWSQXEVSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](CN)C1 ZINC000300932629 349452754 /nfs/dbraw/zinc/45/27/54/349452754.db2.gz NYEIBRCAASJISC-CHWSQXEVSA-N 1 3 212.381 2.339 20 0 BEADHO Fc1ccccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012363 398153817 /nfs/dbraw/zinc/15/38/17/398153817.db2.gz SKQWROZACJKOCN-DZGCQCFKSA-N 1 3 248.345 2.303 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCOC1CCCCC1 ZINC000422941833 398159430 /nfs/dbraw/zinc/15/94/30/398159430.db2.gz IPSZMPDKWDSSGN-VXGBXAGGSA-N 1 3 228.380 2.051 20 0 BEADHO Cc1cc(CNCC2=CC[N@H+](C)CC2)ccc1F ZINC000271798522 178020741 /nfs/dbraw/zinc/02/07/41/178020741.db2.gz IMSWNWBFCWQMCX-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO Cc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1F ZINC000271798522 178020744 /nfs/dbraw/zinc/02/07/44/178020744.db2.gz IMSWNWBFCWQMCX-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO Cc1cc(C[NH2+]CC2=CCN(C)CC2)ccc1F ZINC000271798522 178020747 /nfs/dbraw/zinc/02/07/47/178020747.db2.gz IMSWNWBFCWQMCX-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO C[C@@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814611 398170446 /nfs/dbraw/zinc/17/04/46/398170446.db2.gz PTZUNLMPGVRZRO-TUAOUCFPSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[N@H+]1C[C@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814611 398170449 /nfs/dbraw/zinc/17/04/49/398170449.db2.gz PTZUNLMPGVRZRO-TUAOUCFPSA-N 1 3 212.381 2.338 20 0 BEADHO COCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424291348 398180839 /nfs/dbraw/zinc/18/08/39/398180839.db2.gz NOXQUUOKCKIVKL-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO Cc1ccoc1CN[C@@H](C)C1CC[NH+](C)CC1 ZINC000380031864 398180869 /nfs/dbraw/zinc/18/08/69/398180869.db2.gz GPBMSCHXMORHOL-LBPRGKRZSA-N 1 3 236.359 2.408 20 0 BEADHO CCc1cnccc1[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000423019930 398161132 /nfs/dbraw/zinc/16/11/32/398161132.db2.gz XVYVBJLLAAZTNT-TUAOUCFPSA-N 1 3 235.375 2.420 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423020526 398162012 /nfs/dbraw/zinc/16/20/12/398162012.db2.gz BUGJMQATQBEHBK-ZDEQEGDKSA-N 1 3 242.407 2.296 20 0 BEADHO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccn1 ZINC000293133094 178118111 /nfs/dbraw/zinc/11/81/11/178118111.db2.gz RUIXMCMJUJPKOS-AWEZNQCLSA-N 1 3 245.370 2.312 20 0 BEADHO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000235377797 178121501 /nfs/dbraw/zinc/12/15/01/178121501.db2.gz SDXFWNMPBOQFLG-MFKMUULPSA-N 1 3 241.338 2.327 20 0 BEADHO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000235704121 178122696 /nfs/dbraw/zinc/12/26/96/178122696.db2.gz SDXFWNMPBOQFLG-GWCFXTLKSA-N 1 3 241.338 2.327 20 0 BEADHO C[C@H](CCC[NH3+])NCc1noc2ccccc12 ZINC000576411495 365590911 /nfs/dbraw/zinc/59/09/11/365590911.db2.gz FWVCUPDTEXPZRD-SNVBAGLBSA-N 1 3 233.315 2.045 20 0 BEADHO CCC(CC)C[NH2+]C[C@@H]1CCN(CC)C1 ZINC000037484202 168361791 /nfs/dbraw/zinc/36/17/91/168361791.db2.gz RYZVBBIRIGTSLU-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC000229539491 538939316 /nfs/dbraw/zinc/93/93/16/538939316.db2.gz SWIAYLRCUHHJGQ-QNWHQSFQSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC000229539491 538939318 /nfs/dbraw/zinc/93/93/18/538939318.db2.gz SWIAYLRCUHHJGQ-QNWHQSFQSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCNC[C@H]1C ZINC000380746789 398251900 /nfs/dbraw/zinc/25/19/00/398251900.db2.gz SUURLBFAFWATPP-WZRBSPASSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1cccs1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000380746789 398251903 /nfs/dbraw/zinc/25/19/03/398251903.db2.gz SUURLBFAFWATPP-WZRBSPASSA-N 1 3 238.400 2.267 20 0 BEADHO CC(C)n1ccc(CN[C@@H](C)CCCC[NH3+])n1 ZINC000576695071 365659472 /nfs/dbraw/zinc/65/94/72/365659472.db2.gz BSPBZXKAXKBYQN-LBPRGKRZSA-N 1 3 238.379 2.071 20 0 BEADHO CC(C)n1ccc(CN[C@H](C)CCCC[NH3+])n1 ZINC000576695066 365659695 /nfs/dbraw/zinc/65/96/95/365659695.db2.gz BSPBZXKAXKBYQN-GFCCVEGCSA-N 1 3 238.379 2.071 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000600188758 342698587 /nfs/dbraw/zinc/69/85/87/342698587.db2.gz DQKKRBGBHSPMPB-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600188758 342698589 /nfs/dbraw/zinc/69/85/89/342698589.db2.gz DQKKRBGBHSPMPB-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600188758 342698591 /nfs/dbraw/zinc/69/85/91/342698591.db2.gz DQKKRBGBHSPMPB-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000335365117 398287006 /nfs/dbraw/zinc/28/70/06/398287006.db2.gz YIPJPUXLBHJZCZ-DOMZBBRYSA-N 1 3 247.386 2.150 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000335365117 398287011 /nfs/dbraw/zinc/28/70/11/398287011.db2.gz YIPJPUXLBHJZCZ-DOMZBBRYSA-N 1 3 247.386 2.150 20 0 BEADHO C[N@H+](CCCN)CC(C)(C)c1ccccc1 ZINC000382058813 398302535 /nfs/dbraw/zinc/30/25/35/398302535.db2.gz BYVADHBZYPUSSZ-UHFFFAOYSA-N 1 3 220.360 2.245 20 0 BEADHO C[N@@H+](CCCN)CC(C)(C)c1ccccc1 ZINC000382058813 398302537 /nfs/dbraw/zinc/30/25/37/398302537.db2.gz BYVADHBZYPUSSZ-UHFFFAOYSA-N 1 3 220.360 2.245 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231805 259326848 /nfs/dbraw/zinc/32/68/48/259326848.db2.gz IWYPRVVTNGZCAG-QWHCGFSZSA-N 1 3 242.432 2.059 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCc2cccc(F)c2)C1 ZINC000093211058 398309448 /nfs/dbraw/zinc/30/94/48/398309448.db2.gz NUFBFTKCYYGNCG-KGLIPLIRSA-N 1 3 236.334 2.228 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000093211058 398309449 /nfs/dbraw/zinc/30/94/49/398309449.db2.gz NUFBFTKCYYGNCG-KGLIPLIRSA-N 1 3 236.334 2.228 20 0 BEADHO CCCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000233035393 342894029 /nfs/dbraw/zinc/89/40/29/342894029.db2.gz IUFFVMRGJQZGMO-NWDGAFQWSA-N 1 3 210.365 2.426 20 0 BEADHO C(C1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871375 342909992 /nfs/dbraw/zinc/90/99/92/342909992.db2.gz CSKBTEYENJBTKP-HIFRSBDPSA-N 1 3 234.387 2.345 20 0 BEADHO C(C1CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871375 342909993 /nfs/dbraw/zinc/90/99/93/342909993.db2.gz CSKBTEYENJBTKP-HIFRSBDPSA-N 1 3 234.387 2.345 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173907190 346874912 /nfs/dbraw/zinc/87/49/12/346874912.db2.gz WTSLFYMGLGTEMF-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173907190 346874915 /nfs/dbraw/zinc/87/49/15/346874915.db2.gz WTSLFYMGLGTEMF-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO Clc1ccccc1CC[NH2+]C1CCNCC1 ZINC000215905800 346878661 /nfs/dbraw/zinc/87/86/61/346878661.db2.gz UKPAPVBFCAHDHK-UHFFFAOYSA-N 1 3 238.762 2.224 20 0 BEADHO Clc1ccccc1CCNC1CC[NH2+]CC1 ZINC000215905800 346878664 /nfs/dbraw/zinc/87/86/64/346878664.db2.gz UKPAPVBFCAHDHK-UHFFFAOYSA-N 1 3 238.762 2.224 20 0 BEADHO Cc1cc(C)cc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228072581 398340843 /nfs/dbraw/zinc/34/08/43/398340843.db2.gz UFOCGSBCMHGCOX-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2C[C@H](CN)C[C@H]2C)c1 ZINC000228072581 398340844 /nfs/dbraw/zinc/34/08/44/398340844.db2.gz UFOCGSBCMHGCOX-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2C[C@H](CN)C[C@H]2C)c1 ZINC000228072581 398340845 /nfs/dbraw/zinc/34/08/45/398340845.db2.gz UFOCGSBCMHGCOX-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CC[C@@H](c1ccccc1)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313350933 259333852 /nfs/dbraw/zinc/33/38/52/259333852.db2.gz LDLYUAKFCZJNSB-GJZGRUSLSA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@@H](c1ccccc1)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313350933 259333854 /nfs/dbraw/zinc/33/38/54/259333854.db2.gz LDLYUAKFCZJNSB-GJZGRUSLSA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@@H](c1ccccc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000313350933 259333855 /nfs/dbraw/zinc/33/38/55/259333855.db2.gz LDLYUAKFCZJNSB-GJZGRUSLSA-N 1 3 248.370 2.187 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+]C1CCNCC1 ZINC000049157307 343093765 /nfs/dbraw/zinc/09/37/65/343093765.db2.gz NPWBJVZCMIOQDK-SNVBAGLBSA-N 1 3 224.373 2.021 20 0 BEADHO C[C@H](Cc1ccsc1)NC1CC[NH2+]CC1 ZINC000049157307 343093767 /nfs/dbraw/zinc/09/37/67/343093767.db2.gz NPWBJVZCMIOQDK-SNVBAGLBSA-N 1 3 224.373 2.021 20 0 BEADHO CC[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678134331 488203228 /nfs/dbraw/zinc/20/32/28/488203228.db2.gz YFKWOVFSFQSYAO-UHFFFAOYSA-N 1 3 236.359 2.079 20 0 BEADHO CC[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000678134331 488203235 /nfs/dbraw/zinc/20/32/35/488203235.db2.gz YFKWOVFSFQSYAO-UHFFFAOYSA-N 1 3 236.359 2.079 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccc2F)C1 ZINC000093209730 343150912 /nfs/dbraw/zinc/15/09/12/343150912.db2.gz GKTZXNQQPJAUQJ-OLZOCXBDSA-N 1 3 236.334 2.228 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000093209417 343151357 /nfs/dbraw/zinc/15/13/57/343151357.db2.gz AUUPBNPVJDPSPD-KGLIPLIRSA-N 1 3 236.334 2.228 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(F)cc2)C1 ZINC000093209417 343151358 /nfs/dbraw/zinc/15/13/58/343151358.db2.gz AUUPBNPVJDPSPD-KGLIPLIRSA-N 1 3 236.334 2.228 20 0 BEADHO Cc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)o1 ZINC000581997321 343191205 /nfs/dbraw/zinc/19/12/05/343191205.db2.gz WOCVBBBMJKYFMA-FZMZJTMJSA-N 1 3 236.359 2.108 20 0 BEADHO CC[NH+]1CCC(CNCc2occc2C)CC1 ZINC000135174469 343192994 /nfs/dbraw/zinc/19/29/94/343192994.db2.gz KNPBYHINZFAERY-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1ccsc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000087308569 136281286 /nfs/dbraw/zinc/28/12/86/136281286.db2.gz HNJBGGSMMDTOLC-MNOVXSKESA-N 1 3 224.373 2.274 20 0 BEADHO Cc1ccsc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000087308568 136281298 /nfs/dbraw/zinc/28/12/98/136281298.db2.gz HNJBGGSMMDTOLC-GHMZBOCLSA-N 1 3 224.373 2.274 20 0 BEADHO CNCCC[N@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000087472192 136281589 /nfs/dbraw/zinc/28/15/89/136281589.db2.gz WFJBAPHIRXNMPB-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@H]1CCC[C@H](C)C1 ZINC000087472192 136281590 /nfs/dbraw/zinc/28/15/90/136281590.db2.gz WFJBAPHIRXNMPB-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCC[C@H](C)C1 ZINC000087472192 136281591 /nfs/dbraw/zinc/28/15/91/136281591.db2.gz WFJBAPHIRXNMPB-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000070613307 343334345 /nfs/dbraw/zinc/33/43/45/343334345.db2.gz DEHFDMWESCZQTN-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000070613307 343334346 /nfs/dbraw/zinc/33/43/46/343334346.db2.gz DEHFDMWESCZQTN-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H](C(C)C)CC1 ZINC000070613307 343334347 /nfs/dbraw/zinc/33/43/47/343334347.db2.gz DEHFDMWESCZQTN-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1cccs1 ZINC000569801916 323041119 /nfs/dbraw/zinc/04/11/19/323041119.db2.gz RXQZBSBBKMFFBB-DGCLKSJQSA-N 1 3 238.400 2.398 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335613057 136295407 /nfs/dbraw/zinc/29/54/07/136295407.db2.gz RWLYBTLHCIWDAM-MWLCHTKSSA-N 1 3 232.318 2.009 20 0 BEADHO C1[C@H]([NH2+]C2CCNCC2)[C@@H]1C1CCCCC1 ZINC000335650718 136305420 /nfs/dbraw/zinc/30/54/20/136305420.db2.gz XUQFUYGXJHWPBD-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO C1[C@H](NC2CC[NH2+]CC2)[C@@H]1C1CCCCC1 ZINC000335650718 136305421 /nfs/dbraw/zinc/30/54/21/136305421.db2.gz XUQFUYGXJHWPBD-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000349157519 136327745 /nfs/dbraw/zinc/32/77/45/136327745.db2.gz YTPCJFVNDMXXMU-BPLDGKMQSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000349157519 136327746 /nfs/dbraw/zinc/32/77/46/136327746.db2.gz YTPCJFVNDMXXMU-BPLDGKMQSA-N 1 3 236.403 2.306 20 0 BEADHO CC(C)[NH+]1CCC(N[C@H]2COC(C)(C)C2)CC1 ZINC000335656184 136376138 /nfs/dbraw/zinc/37/61/38/136376138.db2.gz JIFQJBDPOJTVQF-CYBMUJFWSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000083987794 343513011 /nfs/dbraw/zinc/51/30/11/343513011.db2.gz FEFKKCCEPOQMMN-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CCCF)c2ccccc21 ZINC000379919281 343655358 /nfs/dbraw/zinc/65/53/58/343655358.db2.gz QYMIGMWFVPIOFJ-RYUDHWBXSA-N 1 3 208.280 2.080 20 0 BEADHO C[C@H](C[N@@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000044528047 343781250 /nfs/dbraw/zinc/78/12/50/343781250.db2.gz QIKLPOPRTBEGTO-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](C[N@H+]1CCC[C@H](CN)C1)c1ccccc1 ZINC000044528047 343781252 /nfs/dbraw/zinc/78/12/52/343781252.db2.gz QIKLPOPRTBEGTO-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000044528047 343781253 /nfs/dbraw/zinc/78/12/53/343781253.db2.gz QIKLPOPRTBEGTO-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](C[NH2+]CC1(C)CCC1)CN1CCCC1 ZINC000336646188 537820260 /nfs/dbraw/zinc/82/02/60/537820260.db2.gz BDFQIVZFYMPNDJ-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](C[NH2+]CC1(C)CCC1)CN1CCCC1 ZINC000336646189 537819978 /nfs/dbraw/zinc/81/99/78/537819978.db2.gz BDFQIVZFYMPNDJ-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cscn1 ZINC000570562628 323063205 /nfs/dbraw/zinc/06/32/05/323063205.db2.gz IEZBALPMFORWBE-UWVGGRQHSA-N 1 3 227.377 2.311 20 0 BEADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000577170817 343901668 /nfs/dbraw/zinc/90/16/68/343901668.db2.gz BXMAWFPACNFDHE-FUNVUKJBSA-N 1 3 234.343 2.003 20 0 BEADHO CC(C)(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634732485 344107615 /nfs/dbraw/zinc/10/76/15/344107615.db2.gz HOSSPSFMUCNMAP-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000634732816 344108106 /nfs/dbraw/zinc/10/81/06/344108106.db2.gz PLVJGVFBUZUNST-LBPRGKRZSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000634732815 344108157 /nfs/dbraw/zinc/10/81/57/344108157.db2.gz PLVJGVFBUZUNST-GFCCVEGCSA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733658 344113960 /nfs/dbraw/zinc/11/39/60/344113960.db2.gz KUFJKPATNQWJLU-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000634733552 344113986 /nfs/dbraw/zinc/11/39/86/344113986.db2.gz IFRUGNZJBBGVSD-VXGBXAGGSA-N 1 3 242.432 2.107 20 0 BEADHO CCc1cnc(CN[C@@H](C)CCCC[NH3+])s1 ZINC000309309355 347029736 /nfs/dbraw/zinc/02/97/36/347029736.db2.gz DTQDKBRFRRIOFZ-JTQLQIEISA-N 1 3 241.404 2.313 20 0 BEADHO CC(C)CCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622003959 344181284 /nfs/dbraw/zinc/18/12/84/344181284.db2.gz IGJPUIZTOJRVPK-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CCC1CCC([NH2+]C2CCNCC2)CC1 ZINC000042577396 344459164 /nfs/dbraw/zinc/45/91/64/344459164.db2.gz UASLJDUKYGRCMU-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000228317848 259376109 /nfs/dbraw/zinc/37/61/09/259376109.db2.gz SEWJFTQOHIWECQ-RWMBFGLXSA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000228317848 259376111 /nfs/dbraw/zinc/37/61/11/259376111.db2.gz SEWJFTQOHIWECQ-RWMBFGLXSA-N 1 3 210.365 2.271 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336775299 537847865 /nfs/dbraw/zinc/84/78/65/537847865.db2.gz YQLRBDVDSJKBTB-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000414847939 529985191 /nfs/dbraw/zinc/98/51/91/529985191.db2.gz WLZLWKVTEVVJFC-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO CCCN1CC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336778532 537851828 /nfs/dbraw/zinc/85/18/28/537851828.db2.gz LOBBXXCXFLHMLM-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625975928 344640317 /nfs/dbraw/zinc/64/03/17/344640317.db2.gz FRCUZDVTUIUZNZ-XUXIUFHCSA-N 1 3 242.407 2.120 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625975928 344640319 /nfs/dbraw/zinc/64/03/19/344640319.db2.gz FRCUZDVTUIUZNZ-XUXIUFHCSA-N 1 3 242.407 2.120 20 0 BEADHO CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000039102034 344850337 /nfs/dbraw/zinc/85/03/37/344850337.db2.gz OXJYWERKFNGMGY-KBPBESRZSA-N 1 3 218.344 2.246 20 0 BEADHO Cc1ccc([C@H](C)CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000628191884 344946582 /nfs/dbraw/zinc/94/65/82/344946582.db2.gz YGSYAXSUPOHCLI-KBMXLJTQSA-N 1 3 244.382 2.250 20 0 BEADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000234838914 537879712 /nfs/dbraw/zinc/87/97/12/537879712.db2.gz YZCYVKTWFCDCSX-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO C(C1CC1)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000156527990 345176973 /nfs/dbraw/zinc/17/69/73/345176973.db2.gz FPSVKDIZUXOLBH-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CC1)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000156527990 345176974 /nfs/dbraw/zinc/17/69/74/345176974.db2.gz FPSVKDIZUXOLBH-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000156527990 345176976 /nfs/dbraw/zinc/17/69/76/345176976.db2.gz FPSVKDIZUXOLBH-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO Fc1cccc(CCC[NH2+]CC23CC(C2)CN3)c1 ZINC000634995343 345184613 /nfs/dbraw/zinc/18/46/13/345184613.db2.gz BEUUPASPTWTLPS-UHFFFAOYSA-N 1 3 248.345 2.100 20 0 BEADHO C([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C12CC(C1)CN2 ZINC000634996327 345187292 /nfs/dbraw/zinc/18/72/92/345187292.db2.gz HBOADTBGAQEHGI-INTODGSJSA-N 1 3 234.387 2.297 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998709 345198606 /nfs/dbraw/zinc/19/86/06/345198606.db2.gz JNKPVLKOTDWMFG-MWLCHTKSSA-N 1 3 224.373 2.083 20 0 BEADHO Cc1ccsc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999741 345200113 /nfs/dbraw/zinc/20/01/13/345200113.db2.gz YNWZGCQEXRIFHS-GHMZBOCLSA-N 1 3 224.373 2.083 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999741 345200116 /nfs/dbraw/zinc/20/01/16/345200116.db2.gz YNWZGCQEXRIFHS-GHMZBOCLSA-N 1 3 224.373 2.083 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999741 345200119 /nfs/dbraw/zinc/20/01/19/345200119.db2.gz YNWZGCQEXRIFHS-GHMZBOCLSA-N 1 3 224.373 2.083 20 0 BEADHO Cc1cc(F)ccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999666 345200596 /nfs/dbraw/zinc/20/05/96/345200596.db2.gz XOCUEKZOXISMEW-WCQYABFASA-N 1 3 236.334 2.161 20 0 BEADHO C1CC12CCC[C@@H]2[NH2+][C@@H]1CCCNCC1 ZINC000634998046 345202924 /nfs/dbraw/zinc/20/29/24/345202924.db2.gz ZTRVOEFXMQDBJV-NEPJUHHUSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H]([NH2+]Cc1cccc2c1CCNC2)[C@H]1C[C@H]1C ZINC000635002897 345205583 /nfs/dbraw/zinc/20/55/83/345205583.db2.gz AYSPRIQVLVUVIC-WQGACYEGSA-N 1 3 244.382 2.466 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004316 345207523 /nfs/dbraw/zinc/20/75/23/345207523.db2.gz OGBBHHGKVYFOSK-TUAOUCFPSA-N 1 3 208.349 2.036 20 0 BEADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCC(C)(C)F ZINC000635004485 345207645 /nfs/dbraw/zinc/20/76/45/345207645.db2.gz PIKIRKRKDPLWOD-VIFPVBQESA-N 1 3 239.338 2.247 20 0 BEADHO COCCC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635010526 345212669 /nfs/dbraw/zinc/21/26/69/345212669.db2.gz KCJPBQAVPDBFGF-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2cccnc2c1 ZINC000635020083 345222588 /nfs/dbraw/zinc/22/25/88/345222588.db2.gz JPJUARNHGKMZPP-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2cccnc2c1 ZINC000635020085 345222702 /nfs/dbraw/zinc/22/27/02/345222702.db2.gz JPJUARNHGKMZPP-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO Cc1cc(C)c(C[N@@H+](C)[C@H](C)CN)c(C)c1 ZINC000158521060 345343853 /nfs/dbraw/zinc/34/38/53/345343853.db2.gz JHBFLACMVBSWIS-CYBMUJFWSA-N 1 3 220.360 2.391 20 0 BEADHO Cc1cc(C)c(C[N@H+](C)[C@H](C)CN)c(C)c1 ZINC000158521060 345343856 /nfs/dbraw/zinc/34/38/56/345343856.db2.gz JHBFLACMVBSWIS-CYBMUJFWSA-N 1 3 220.360 2.391 20 0 BEADHO CCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081632178 345488744 /nfs/dbraw/zinc/48/87/44/345488744.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632178 345488746 /nfs/dbraw/zinc/48/87/46/345488746.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000081632178 345488748 /nfs/dbraw/zinc/48/87/48/345488748.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000081632178 345488751 /nfs/dbraw/zinc/48/87/51/345488751.db2.gz VONPVOBDSDIYSW-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CCCOCC)C1 ZINC000081570257 345479454 /nfs/dbraw/zinc/47/94/54/345479454.db2.gz OLLKTIBXNHFRRN-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCOCC)C1 ZINC000081570257 345479455 /nfs/dbraw/zinc/47/94/55/345479455.db2.gz OLLKTIBXNHFRRN-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccnc2ccccc12 ZINC000136136226 345480098 /nfs/dbraw/zinc/48/00/98/345480098.db2.gz AOOHPKZBXCSNQB-NSHDSACASA-N 1 3 229.327 2.062 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000164421871 535004254 /nfs/dbraw/zinc/00/42/54/535004254.db2.gz PTECQPJVAUOSNZ-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](C[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000216204878 345743434 /nfs/dbraw/zinc/74/34/34/345743434.db2.gz UTEIADLNYIZXMM-ZDUSSCGKSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@@H](C[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000216204878 345743437 /nfs/dbraw/zinc/74/34/37/345743437.db2.gz UTEIADLNYIZXMM-ZDUSSCGKSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@@H](CN(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000216204878 345743439 /nfs/dbraw/zinc/74/34/39/345743439.db2.gz UTEIADLNYIZXMM-ZDUSSCGKSA-N 1 3 232.371 2.474 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccccc1C ZINC000231443763 345752899 /nfs/dbraw/zinc/75/28/99/345752899.db2.gz ARGMJVRECRQJAU-VXGBXAGGSA-N 1 3 206.333 2.383 20 0 BEADHO C(C1CC1)[NH+]1CCC(N[C@@H]2CC23CC3)CC1 ZINC000569685504 345975456 /nfs/dbraw/zinc/97/54/56/345975456.db2.gz WCJITYWFVFEKDV-CYBMUJFWSA-N 1 3 220.360 2.003 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000381498344 346156824 /nfs/dbraw/zinc/15/68/24/346156824.db2.gz CEISMJMZVDSYLE-RQJABVFESA-N 1 3 224.392 2.351 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000131505121 179035642 /nfs/dbraw/zinc/03/56/42/179035642.db2.gz PYSCRZKQBZUQDH-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000131505121 179035644 /nfs/dbraw/zinc/03/56/44/179035644.db2.gz PYSCRZKQBZUQDH-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCNC2)[C@@H]1C ZINC000669378552 537969019 /nfs/dbraw/zinc/96/90/19/537969019.db2.gz GODLHYWPBQHANE-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 ZINC000563348530 323119827 /nfs/dbraw/zinc/11/98/27/323119827.db2.gz BTFIMBDCIPTINL-RAIGVLPGSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCNC2)[C@@H]1C ZINC000669378552 537969011 /nfs/dbraw/zinc/96/90/11/537969011.db2.gz GODLHYWPBQHANE-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1cccc(CC[N@@H+]2CCN[C@@H](C)CC2)c1 ZINC000051671000 179057010 /nfs/dbraw/zinc/05/70/10/179057010.db2.gz HNBUUEVBSDIHNG-AWEZNQCLSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1cccc(CC[N@H+]2CCN[C@@H](C)CC2)c1 ZINC000051671000 179057012 /nfs/dbraw/zinc/05/70/12/179057012.db2.gz HNBUUEVBSDIHNG-AWEZNQCLSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1C ZINC000044528080 179074804 /nfs/dbraw/zinc/07/48/04/179074804.db2.gz JYHYNDJJZHCBIO-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049713004 179078612 /nfs/dbraw/zinc/07/86/12/179078612.db2.gz OGAWICBJXCBKIG-GXTWGEPZSA-N 1 3 218.344 2.307 20 0 BEADHO Cc1cccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229060496 179080061 /nfs/dbraw/zinc/08/00/61/179080061.db2.gz PZQZIZURPBSUOU-HIFRSBDPSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000228151531 179081497 /nfs/dbraw/zinc/08/14/97/179081497.db2.gz ZFEKOWXRNGNBGA-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000235915542 179081537 /nfs/dbraw/zinc/08/15/37/179081537.db2.gz IBBDOPVYVFBESL-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@](C)(CN)C2)c1 ZINC000235915542 179081542 /nfs/dbraw/zinc/08/15/42/179081542.db2.gz IBBDOPVYVFBESL-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@](C)(CN)C2)c1 ZINC000235915542 179081546 /nfs/dbraw/zinc/08/15/46/179081546.db2.gz IBBDOPVYVFBESL-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1cccc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228078139 179083846 /nfs/dbraw/zinc/08/38/46/179083846.db2.gz UKQFXGDBFGXMLS-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](CN)C[C@H]2C)c1 ZINC000228078139 179083848 /nfs/dbraw/zinc/08/38/48/179083848.db2.gz UKQFXGDBFGXMLS-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](CN)C[C@H]2C)c1 ZINC000228078139 179083849 /nfs/dbraw/zinc/08/38/49/179083849.db2.gz UKQFXGDBFGXMLS-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000105480769 179097933 /nfs/dbraw/zinc/09/79/33/179097933.db2.gz HSGQEBFLXRMXIJ-DZGCQCFKSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000105480769 179097935 /nfs/dbraw/zinc/09/79/35/179097935.db2.gz HSGQEBFLXRMXIJ-DZGCQCFKSA-N 1 3 232.371 2.425 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCc1ccsc1 ZINC000641800645 362751808 /nfs/dbraw/zinc/75/18/08/362751808.db2.gz CETAEZWAUMSPCU-VXGBXAGGSA-N 1 3 238.400 2.396 20 0 BEADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)C1(C)C)c1ccccc1 ZINC000641801101 362755240 /nfs/dbraw/zinc/75/52/40/362755240.db2.gz NBYMOGMNNLOWQI-MCIONIFRSA-N 1 3 248.370 2.090 20 0 BEADHO CCNCCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000574981065 346488302 /nfs/dbraw/zinc/48/83/02/346488302.db2.gz WOFODTDJNBOYJT-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO CC[NH2+]CCCN[C@H]1CC[C@@H]1C1CCC1 ZINC000574981065 346488303 /nfs/dbraw/zinc/48/83/03/346488303.db2.gz WOFODTDJNBOYJT-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cnccc1C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CN ZINC000641806384 362764282 /nfs/dbraw/zinc/76/42/82/362764282.db2.gz RIPAHFCEZSMLRI-WHOFXGATSA-N 1 3 247.386 2.338 20 0 BEADHO Cc1cnccc1C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CN ZINC000641806384 362764285 /nfs/dbraw/zinc/76/42/85/362764285.db2.gz RIPAHFCEZSMLRI-WHOFXGATSA-N 1 3 247.386 2.338 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccsc1 ZINC000580182193 346621656 /nfs/dbraw/zinc/62/16/56/346621656.db2.gz RYMZVISCZDSYNX-DCAQKATOSA-N 1 3 226.389 2.395 20 0 BEADHO COC[C@H](C)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000188377921 346806244 /nfs/dbraw/zinc/80/62/44/346806244.db2.gz XIGZKNLIUUBHLM-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](C)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004475 370654196 /nfs/dbraw/zinc/65/41/96/370654196.db2.gz PGYLMEFOGKNULV-RWMBFGLXSA-N 1 3 210.365 2.236 20 0 BEADHO COc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000252774305 347434870 /nfs/dbraw/zinc/43/48/70/347434870.db2.gz JRARVLLLAJZYFS-GXTWGEPZSA-N 1 3 248.370 2.173 20 0 BEADHO Cc1ccccc1CC[NH2+]C[C@H]1CCCNC1 ZINC000132284149 179265852 /nfs/dbraw/zinc/26/58/52/179265852.db2.gz WWENZJHFZDHLMN-AWEZNQCLSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1ccccc1CCNC[C@H]1CCC[NH2+]C1 ZINC000132284149 179265853 /nfs/dbraw/zinc/26/58/53/179265853.db2.gz WWENZJHFZDHLMN-AWEZNQCLSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000094182725 179267327 /nfs/dbraw/zinc/26/73/27/179267327.db2.gz KSNYARNHFBWAAD-CABCVRRESA-N 1 3 232.371 2.255 20 0 BEADHO Cc1ccccc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163438135 179274701 /nfs/dbraw/zinc/27/47/01/179274701.db2.gz DVWDWYGCPMUCEO-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000163438135 179274704 /nfs/dbraw/zinc/27/47/04/179274704.db2.gz DVWDWYGCPMUCEO-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000163438135 179274705 /nfs/dbraw/zinc/27/47/05/179274705.db2.gz DVWDWYGCPMUCEO-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO C[C@H]([NH3+])[C@H](C)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000415009641 323152519 /nfs/dbraw/zinc/15/25/19/323152519.db2.gz GDPDHYFFKWDLCO-IMIFBBOLSA-N 1 3 218.344 2.115 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)CN ZINC000309396109 179290707 /nfs/dbraw/zinc/29/07/07/179290707.db2.gz UMINDUQADLDYRK-AAEUAGOBSA-N 1 3 220.360 2.110 20 0 BEADHO CSC1(CNCCC[N@H+](C)CC(C)C)CC1 ZINC000593645378 347926100 /nfs/dbraw/zinc/92/61/00/347926100.db2.gz IBXRKXJDFSJPMO-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CSC1(CNCCC[N@@H+](C)CC(C)C)CC1 ZINC000593645378 347926101 /nfs/dbraw/zinc/92/61/01/347926101.db2.gz IBXRKXJDFSJPMO-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CSC1(C[NH2+]CCCN(C)CC(C)C)CC1 ZINC000593645378 347926103 /nfs/dbraw/zinc/92/61/03/347926103.db2.gz IBXRKXJDFSJPMO-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO Cc1ccccc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000309003979 179337352 /nfs/dbraw/zinc/33/73/52/179337352.db2.gz STIVIZNYQUKWGV-JQWIXIFHSA-N 1 3 206.333 2.240 20 0 BEADHO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000257782416 535075462 /nfs/dbraw/zinc/07/54/62/535075462.db2.gz QLPVATVGLHXTPK-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000257782416 535075467 /nfs/dbraw/zinc/07/54/67/535075467.db2.gz QLPVATVGLHXTPK-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CCSC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000596650121 348605306 /nfs/dbraw/zinc/60/53/06/348605306.db2.gz GURNUVWSIHAHOM-VXGBXAGGSA-N 1 3 242.432 2.250 20 0 BEADHO CCSC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000596649017 348605491 /nfs/dbraw/zinc/60/54/91/348605491.db2.gz ACGDEQWQABVQRJ-VXGBXAGGSA-N 1 3 242.432 2.379 20 0 BEADHO CSCC1(CC[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000596651879 348606008 /nfs/dbraw/zinc/60/60/08/348606008.db2.gz RHODEEIGOCFSHP-NWDGAFQWSA-N 1 3 242.432 2.379 20 0 BEADHO CCSC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000596652889 348606706 /nfs/dbraw/zinc/60/67/06/348606706.db2.gz QNRCQODGEVXXOY-GHMZBOCLSA-N 1 3 228.405 2.132 20 0 BEADHO CCSC1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000596652889 348606707 /nfs/dbraw/zinc/60/67/07/348606707.db2.gz QNRCQODGEVXXOY-GHMZBOCLSA-N 1 3 228.405 2.132 20 0 BEADHO CCSC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000596652892 348606824 /nfs/dbraw/zinc/60/68/24/348606824.db2.gz QNRCQODGEVXXOY-WDEREUQCSA-N 1 3 228.405 2.132 20 0 BEADHO CCSC1(CN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000596652892 348606827 /nfs/dbraw/zinc/60/68/27/348606827.db2.gz QNRCQODGEVXXOY-WDEREUQCSA-N 1 3 228.405 2.132 20 0 BEADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCOC1 ZINC000070463749 490214783 /nfs/dbraw/zinc/21/47/83/490214783.db2.gz ADVDMASHOYPGNI-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCOC1 ZINC000070463749 490214786 /nfs/dbraw/zinc/21/47/86/490214786.db2.gz ADVDMASHOYPGNI-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCCOC1 ZINC000070463749 490214792 /nfs/dbraw/zinc/21/47/92/490214792.db2.gz ADVDMASHOYPGNI-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]([N@H+](C)C[C@H]1CCCNC1)C(C)(C)C ZINC000251028809 349181632 /nfs/dbraw/zinc/18/16/32/349181632.db2.gz HJRDZGYJMGOCRP-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]([N@@H+](C)C[C@H]1CCCNC1)C(C)(C)C ZINC000251028809 349181636 /nfs/dbraw/zinc/18/16/36/349181636.db2.gz HJRDZGYJMGOCRP-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000253117811 349224517 /nfs/dbraw/zinc/22/45/17/349224517.db2.gz GUBGSODFOXBQMU-LPWJVIDDSA-N 1 3 210.365 2.425 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C)C1 ZINC000252107119 349196033 /nfs/dbraw/zinc/19/60/33/349196033.db2.gz HEWSJGGECOMNGV-MGPQQGTHSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000388634450 349279250 /nfs/dbraw/zinc/27/92/50/349279250.db2.gz MEHMUEDDJOQREN-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)CCC[N@@H+]1CCC[C@H](CN)C1 ZINC000300835213 349357350 /nfs/dbraw/zinc/35/73/50/349357350.db2.gz ILTZZZLQAAWTPN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CCC[N@H+]1CCC[C@H](CN)C1 ZINC000300835213 349357352 /nfs/dbraw/zinc/35/73/52/349357352.db2.gz ILTZZZLQAAWTPN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CCCN1CCC[C@H](C[NH3+])C1 ZINC000300835213 349357356 /nfs/dbraw/zinc/35/73/56/349357356.db2.gz ILTZZZLQAAWTPN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C1CC2(C1)C[C@H]([NH2+]C1CCCC1)CCN2 ZINC000129779227 490347599 /nfs/dbraw/zinc/34/75/99/490347599.db2.gz RCEMGCWLUQAWRP-GFCCVEGCSA-N 1 3 208.349 2.193 20 0 BEADHO Cc1ncc(CN2CCC[C@H](CC[NH3+])C2)s1 ZINC000069724472 180144190 /nfs/dbraw/zinc/14/41/90/180144190.db2.gz HACGSOIEGNJFIG-LLVKDONJSA-N 1 3 239.388 2.012 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000324790578 323282450 /nfs/dbraw/zinc/28/24/50/323282450.db2.gz JURBLZZWGVVSIU-HONMWMINSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C)CN1CCCC1 ZINC000083402360 350195532 /nfs/dbraw/zinc/19/55/32/350195532.db2.gz WMRXFPXICXMAJT-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[C@H](NC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000324929727 323306482 /nfs/dbraw/zinc/30/64/82/323306482.db2.gz NHHWMVXWFBSPLD-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H]([NH2+]C[C@@H]1CCCN1)C1CCC1 ZINC000324929727 323306485 /nfs/dbraw/zinc/30/64/85/323306485.db2.gz NHHWMVXWFBSPLD-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(CCCOc2ccccc2)C1 ZINC000163172387 350508843 /nfs/dbraw/zinc/50/88/43/350508843.db2.gz GZEWUYAOGDGPGK-KGLIPLIRSA-N 1 3 248.370 2.125 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000230604163 350605272 /nfs/dbraw/zinc/60/52/72/350605272.db2.gz DRRWBJXDYPQJHY-CABZTGNLSA-N 1 3 210.296 2.214 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2(C)CC2)C1 ZINC000151131211 191114635 /nfs/dbraw/zinc/11/46/35/191114635.db2.gz FDIJKVHFAQEVSH-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CN(C[C@@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000334620982 350726307 /nfs/dbraw/zinc/72/63/07/350726307.db2.gz HLFXYDNJFSFCJO-ZDUSSCGKSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@H]([NH3+])CCNCc1ccccc1 ZINC000129224603 351008720 /nfs/dbraw/zinc/00/87/20/351008720.db2.gz CXAIPSWWKFQZEX-CYBMUJFWSA-N 1 3 206.333 2.150 20 0 BEADHO CCCC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336691301 350984278 /nfs/dbraw/zinc/98/42/78/350984278.db2.gz PSFRJFLOSHKMGP-VXGBXAGGSA-N 1 3 200.370 2.352 20 0 BEADHO CCOc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414792638 351772010 /nfs/dbraw/zinc/77/20/10/351772010.db2.gz JERIWOHEYXIKJZ-HIFRSBDPSA-N 1 3 248.370 2.302 20 0 BEADHO CC(C)C1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000638089698 351967154 /nfs/dbraw/zinc/96/71/54/351967154.db2.gz QSJGRALWFJAZHO-QWHCGFSZSA-N 1 3 222.376 2.106 20 0 BEADHO CC(C)C1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000638089698 351967156 /nfs/dbraw/zinc/96/71/56/351967156.db2.gz QSJGRALWFJAZHO-QWHCGFSZSA-N 1 3 222.376 2.106 20 0 BEADHO C(C[NH2+]CCCN1CCCCC1)C[C@H]1CCO1 ZINC000638308949 352136218 /nfs/dbraw/zinc/13/62/18/352136218.db2.gz OSXMIOBREMFVHL-AWEZNQCLSA-N 1 3 240.391 2.021 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638338242 352158291 /nfs/dbraw/zinc/15/82/91/352158291.db2.gz UOEFKCAMYATAKF-GHMZBOCLSA-N 1 3 234.334 2.350 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC000638380687 352190658 /nfs/dbraw/zinc/19/06/58/352190658.db2.gz FDRIFCPBZLKPQA-INIZCTEOSA-N 1 3 246.398 2.469 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccoc1 ZINC000564560174 363127827 /nfs/dbraw/zinc/12/78/27/363127827.db2.gz OUIPYFIPCDPAGB-LLVKDONJSA-N 1 3 220.316 2.240 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000638452316 352263330 /nfs/dbraw/zinc/26/33/30/352263330.db2.gz XCLAYRJMVFJIIB-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)(C)CC[NH2+]C[C@]1(C)CCCNC1 ZINC000414916685 352270919 /nfs/dbraw/zinc/27/09/19/352270919.db2.gz QCOOLQXKRRZBRX-CYBMUJFWSA-N 1 3 212.381 2.402 20 0 BEADHO CSc1ccccc1C[C@@H](C)N[C@H](C)C[NH3+] ZINC000414933600 352341312 /nfs/dbraw/zinc/34/13/12/352341312.db2.gz UJLWBWOTTJLVKO-GHMZBOCLSA-N 1 3 238.400 2.276 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378968285 352553944 /nfs/dbraw/zinc/55/39/44/352553944.db2.gz XHFIRKZAOWCESN-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CCC(N)(CC)C[NH2+]Cc1ccccc1 ZINC000086814465 535194315 /nfs/dbraw/zinc/19/43/15/535194315.db2.gz KGQGILXQNLNNTM-UHFFFAOYSA-N 1 3 206.333 2.294 20 0 BEADHO CC[NH+](CC)CCCNC[C@@](C)(OC)C1CC1 ZINC000638863767 353038029 /nfs/dbraw/zinc/03/80/29/353038029.db2.gz MGUDFHMBMZZSMD-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000638863767 353038030 /nfs/dbraw/zinc/03/80/30/353038030.db2.gz MGUDFHMBMZZSMD-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000040622655 188118322 /nfs/dbraw/zinc/11/83/22/188118322.db2.gz GBLVZYISLAPOAF-GFCCVEGCSA-N 1 3 242.432 2.202 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([C@H](C)N)C1 ZINC000301013744 188160923 /nfs/dbraw/zinc/16/09/23/188160923.db2.gz ZEZNXFMIMGGYOE-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H]([C@H](C)N)C1 ZINC000301013744 188160925 /nfs/dbraw/zinc/16/09/25/188160925.db2.gz ZEZNXFMIMGGYOE-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO C(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CC1 ZINC000161703355 538111665 /nfs/dbraw/zinc/11/16/65/538111665.db2.gz PFODZOTXPQGLFC-UONOGXRCSA-N 1 3 222.376 2.393 20 0 BEADHO C(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CC1 ZINC000161703355 538111666 /nfs/dbraw/zinc/11/16/66/538111666.db2.gz PFODZOTXPQGLFC-UONOGXRCSA-N 1 3 222.376 2.393 20 0 BEADHO C(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC1CC1 ZINC000161703355 538111667 /nfs/dbraw/zinc/11/16/67/538111667.db2.gz PFODZOTXPQGLFC-UONOGXRCSA-N 1 3 222.376 2.393 20 0 BEADHO C1[C@@H]([NH2+]C2CCNCC2)[C@H]1C1CCCCC1 ZINC000335650721 188170901 /nfs/dbraw/zinc/17/09/01/188170901.db2.gz XUQFUYGXJHWPBD-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO C1[C@@H](NC2CC[NH2+]CC2)[C@H]1C1CCCCC1 ZINC000335650721 188170903 /nfs/dbraw/zinc/17/09/03/188170903.db2.gz XUQFUYGXJHWPBD-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)[C@H]1C ZINC000339583050 188191703 /nfs/dbraw/zinc/19/17/03/188191703.db2.gz RDMCLDLQNBUMSV-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)[C@H]1C ZINC000339583050 188191704 /nfs/dbraw/zinc/19/17/04/188191704.db2.gz RDMCLDLQNBUMSV-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000128573376 188220948 /nfs/dbraw/zinc/22/09/48/188220948.db2.gz WREZXLNJRZAORT-SRVKXCTJSA-N 1 3 210.365 2.425 20 0 BEADHO CC(C)CCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000226468777 363219177 /nfs/dbraw/zinc/21/91/77/363219177.db2.gz OFDNAWPZTLTFAO-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)CCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000226468777 363219181 /nfs/dbraw/zinc/21/91/81/363219181.db2.gz OFDNAWPZTLTFAO-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000336773923 353420624 /nfs/dbraw/zinc/42/06/24/353420624.db2.gz WLNLAMAGYRFKIQ-STQMWFEESA-N 1 3 242.432 2.061 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC(F)(F)C1 ZINC000529544401 324333252 /nfs/dbraw/zinc/33/32/52/324333252.db2.gz NYNSMIBMCXTOPD-SNVBAGLBSA-N 1 3 244.329 2.272 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743393 202017702 /nfs/dbraw/zinc/01/77/02/202017702.db2.gz XFZJFYVDUMPKFH-YJNKXOJESA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743393 202017704 /nfs/dbraw/zinc/01/77/04/202017704.db2.gz XFZJFYVDUMPKFH-YJNKXOJESA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743393 202017707 /nfs/dbraw/zinc/01/77/07/202017707.db2.gz XFZJFYVDUMPKFH-YJNKXOJESA-N 1 3 234.387 2.249 20 0 BEADHO CCCN(CCC[NH+](C)C)C[C@@H](OC)C1CC1 ZINC000639175801 354207289 /nfs/dbraw/zinc/20/72/89/354207289.db2.gz TUZIPKCOTPGZIG-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000344303878 354214179 /nfs/dbraw/zinc/21/41/79/354214179.db2.gz WOQDOQYJYXAVAG-HUUCEWRRSA-N 1 3 234.387 2.417 20 0 BEADHO Cc1cnccc1CN1CCC(C[NH+](C)C)CC1 ZINC000578022517 366185936 /nfs/dbraw/zinc/18/59/36/366185936.db2.gz YHIROAPLNBPLRL-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C1CNC1 ZINC000335145919 354856410 /nfs/dbraw/zinc/85/64/10/354856410.db2.gz JRYBAXWVULJNIO-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](C)CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000233995845 363412308 /nfs/dbraw/zinc/41/23/08/363412308.db2.gz UCVOYEGZLKEYEY-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CSCCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000235171418 363438288 /nfs/dbraw/zinc/43/82/88/363438288.db2.gz LWHJZQPGTBQJFM-NWDGAFQWSA-N 1 3 230.421 2.237 20 0 BEADHO CC(C)C1CC(N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000335174022 354940747 /nfs/dbraw/zinc/94/07/47/354940747.db2.gz MUCMFTKQRGXWPY-IKWCTNDRSA-N 1 3 210.365 2.009 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215939 355054208 /nfs/dbraw/zinc/05/42/08/355054208.db2.gz KORIKVQSEDSUNM-ZIAGYGMSSA-N 1 3 241.338 2.204 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccs1 ZINC000335219645 355059644 /nfs/dbraw/zinc/05/96/44/355059644.db2.gz UNCJWUNSANICJT-ZYHUDNBSSA-N 1 3 224.373 2.226 20 0 BEADHO Fc1ccc2c(c1)CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000335238307 355100000 /nfs/dbraw/zinc/10/00/00/355100000.db2.gz FKNFGLQBQZRWEX-GFCCVEGCSA-N 1 3 248.345 2.183 20 0 BEADHO C[C@@H]1Cc2ccccc2CN1C[C@H]1CCC[NH2+]C1 ZINC000346975491 355209274 /nfs/dbraw/zinc/20/92/74/355209274.db2.gz JEOZXBLISFPACL-KGLIPLIRSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@@H]1CC[C@]2(CC[N@H+](C[C@H]3CCCNC3)C2)C1 ZINC000347000063 355197075 /nfs/dbraw/zinc/19/70/75/355197075.db2.gz YKRJHKIOIJPCIJ-ILXRZTDVSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H]3CCCNC3)C2)C1 ZINC000347000063 355197076 /nfs/dbraw/zinc/19/70/76/355197076.db2.gz YKRJHKIOIJPCIJ-ILXRZTDVSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCSCC[C@H]1C ZINC000385506789 355340073 /nfs/dbraw/zinc/34/00/73/355340073.db2.gz MKLRRJFWRCSFEE-NEPJUHHUSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCSCC[C@H]1C ZINC000385506789 355340075 /nfs/dbraw/zinc/34/00/75/355340075.db2.gz MKLRRJFWRCSFEE-NEPJUHHUSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CS[C@H](C)C1 ZINC000639290059 355444256 /nfs/dbraw/zinc/44/42/56/355444256.db2.gz PTSRBDLLOLSHAA-CHWSQXEVSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CS[C@H](C)C1 ZINC000639290059 355444259 /nfs/dbraw/zinc/44/42/59/355444259.db2.gz PTSRBDLLOLSHAA-CHWSQXEVSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000639290059 355444261 /nfs/dbraw/zinc/44/42/61/355444261.db2.gz PTSRBDLLOLSHAA-CHWSQXEVSA-N 1 3 244.448 2.448 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000215989554 355640793 /nfs/dbraw/zinc/64/07/93/355640793.db2.gz DVDAHRXMHABHPY-QWHCGFSZSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000215989554 355640795 /nfs/dbraw/zinc/64/07/95/355640795.db2.gz DVDAHRXMHABHPY-QWHCGFSZSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000215989554 355640796 /nfs/dbraw/zinc/64/07/96/355640796.db2.gz DVDAHRXMHABHPY-QWHCGFSZSA-N 1 3 232.371 2.418 20 0 BEADHO C[NH+](C)CC1CCN(Cc2ccco2)CC1 ZINC000350221687 355650776 /nfs/dbraw/zinc/65/07/76/355650776.db2.gz OYWFAILSIWXETO-UHFFFAOYSA-N 1 3 222.332 2.053 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)CS1 ZINC000639346601 355793377 /nfs/dbraw/zinc/79/33/77/355793377.db2.gz HMKUZJWSOYHEFS-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)c(C)c1 ZINC000216042880 355802446 /nfs/dbraw/zinc/80/24/46/355802446.db2.gz GZXLNDPIBQVYBH-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)c(C)c1 ZINC000216042880 355802449 /nfs/dbraw/zinc/80/24/49/355802449.db2.gz GZXLNDPIBQVYBH-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000216042880 355802451 /nfs/dbraw/zinc/80/24/51/355802451.db2.gz GZXLNDPIBQVYBH-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO CC[N@H+](CC[C@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000420300996 192207360 /nfs/dbraw/zinc/20/73/60/192207360.db2.gz ABEHWVCBGQZIDF-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CC[N@@H+](CC[C@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000420300996 192207362 /nfs/dbraw/zinc/20/73/62/192207362.db2.gz ABEHWVCBGQZIDF-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCc1cccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420302425 192206238 /nfs/dbraw/zinc/20/62/38/192206238.db2.gz GAXPOEPHCSXRPQ-SWLSCSKDSA-N 1 3 232.371 2.418 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CC[C@H]1CCCCO1 ZINC000420289680 192200735 /nfs/dbraw/zinc/20/07/35/192200735.db2.gz KSOJGSFBBMKUJV-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CCOc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422882723 192497485 /nfs/dbraw/zinc/49/74/85/192497485.db2.gz SUUZKDWFRSFKIK-RYUDHWBXSA-N 1 3 236.359 2.301 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCc2ccsc2)C1 ZINC000420317251 192213086 /nfs/dbraw/zinc/21/30/86/192213086.db2.gz ZDCHSSBBTFFCLY-DGCLKSJQSA-N 1 3 238.400 2.350 20 0 BEADHO CN(CC[C@H]1CCCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000420318415 192213771 /nfs/dbraw/zinc/21/37/71/192213771.db2.gz WBEQBIYRLQOHTG-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+](CC[C@H]1CCCCO1)[C@@H]1CCCNCC1 ZINC000420318415 192213772 /nfs/dbraw/zinc/21/37/72/192213772.db2.gz WBEQBIYRLQOHTG-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@@H+](CC[C@H]1CCCCO1)[C@@H]1CCCNCC1 ZINC000420318415 192213773 /nfs/dbraw/zinc/21/37/73/192213773.db2.gz WBEQBIYRLQOHTG-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2C)cc1 ZINC000420306613 192209605 /nfs/dbraw/zinc/20/96/05/192209605.db2.gz QNBBTOONRRNWPM-TZMCWYRMSA-N 1 3 248.370 2.222 20 0 BEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2C)cc1 ZINC000420306613 192209606 /nfs/dbraw/zinc/20/96/06/192209606.db2.gz QNBBTOONRRNWPM-TZMCWYRMSA-N 1 3 248.370 2.222 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(Cl)cc1 ZINC000420372129 192228946 /nfs/dbraw/zinc/22/89/46/192228946.db2.gz LCYIHQYKIQHGBT-DTWKUNHWSA-N 1 3 212.724 2.338 20 0 BEADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000420372131 192230231 /nfs/dbraw/zinc/23/02/31/192230231.db2.gz LCYIHQYKIQHGBT-RKDXNWHRSA-N 1 3 212.724 2.338 20 0 BEADHO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCNC ZINC000420363128 192224658 /nfs/dbraw/zinc/22/46/58/192224658.db2.gz BEVLNIVDFSKRQH-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(C)(C)[C@H]1CCC[N@H+]1CCCNC ZINC000420363128 192224661 /nfs/dbraw/zinc/22/46/61/192224661.db2.gz BEVLNIVDFSKRQH-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCc1ccccc1 ZINC000420378509 192234143 /nfs/dbraw/zinc/23/41/43/192234143.db2.gz XCIRRQCQZBVYNI-IPYPFGDCSA-N 1 3 232.371 2.205 20 0 BEADHO CNCCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000420395541 192236460 /nfs/dbraw/zinc/23/64/60/192236460.db2.gz DMSQANOYWNOLPB-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000420381005 192234048 /nfs/dbraw/zinc/23/40/48/192234048.db2.gz XFFGTOQRUBJVPC-RKDXNWHRSA-N 1 3 244.285 2.286 20 0 BEADHO CCc1cnccc1[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423019929 192541860 /nfs/dbraw/zinc/54/18/60/192541860.db2.gz XVYVBJLLAAZTNT-SRVKXCTJSA-N 1 3 235.375 2.420 20 0 BEADHO CCCN1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000450213466 202098270 /nfs/dbraw/zinc/09/82/70/202098270.db2.gz GFNUDKUWTIQHKN-UHFFFAOYSA-N 1 3 233.359 2.176 20 0 BEADHO CC[C@@H](NCCC1(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423083221 192561872 /nfs/dbraw/zinc/56/18/72/192561872.db2.gz FQOPRNKHOGLDBN-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1CCCN1 ZINC000423083221 192561875 /nfs/dbraw/zinc/56/18/75/192561875.db2.gz FQOPRNKHOGLDBN-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CCc1cc(N2CCN(CC3CC3)CC2)cc[nH+]1 ZINC000450264183 202115091 /nfs/dbraw/zinc/11/50/91/202115091.db2.gz FCEHKLFJNUWZBI-UHFFFAOYSA-N 1 3 245.370 2.176 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423096041 192566522 /nfs/dbraw/zinc/56/65/22/192566522.db2.gz NVADBMZYXOFBKB-IVZWLZJFSA-N 1 3 220.307 2.137 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000423140126 192583063 /nfs/dbraw/zinc/58/30/63/192583063.db2.gz XKMIXFZUIAEWPZ-NXEZZACHSA-N 1 3 239.338 2.247 20 0 BEADHO CC[C@H]1CC[C@H]([NH2+][C@H](C)C2CNC2)CC1 ZINC000423137034 192583106 /nfs/dbraw/zinc/58/31/06/192583106.db2.gz VWNDXEFKXAORQQ-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779059 356726582 /nfs/dbraw/zinc/72/65/82/356726582.db2.gz WYRWRDBXFUZIOY-UONOGXRCSA-N 1 3 248.374 2.031 20 0 BEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639779059 356726584 /nfs/dbraw/zinc/72/65/84/356726584.db2.gz WYRWRDBXFUZIOY-UONOGXRCSA-N 1 3 248.374 2.031 20 0 BEADHO CCOCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166221716 538616226 /nfs/dbraw/zinc/61/62/26/538616226.db2.gz SFEZTFSMGHFBTK-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166221716 538616233 /nfs/dbraw/zinc/61/62/33/538616233.db2.gz SFEZTFSMGHFBTK-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166221716 538616242 /nfs/dbraw/zinc/61/62/42/538616242.db2.gz SFEZTFSMGHFBTK-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000261554484 535350533 /nfs/dbraw/zinc/35/05/33/535350533.db2.gz UGIBISMUQVEHSQ-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000261554484 535350535 /nfs/dbraw/zinc/35/05/35/535350535.db2.gz UGIBISMUQVEHSQ-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261554484 535350536 /nfs/dbraw/zinc/35/05/36/535350536.db2.gz UGIBISMUQVEHSQ-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1cccnc1 ZINC000423196497 192622831 /nfs/dbraw/zinc/62/28/31/192622831.db2.gz ZVVPLCTWUUERAA-GXTWGEPZSA-N 1 3 247.386 2.076 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@H](CNC)C1 ZINC000261548171 535351058 /nfs/dbraw/zinc/35/10/58/535351058.db2.gz NFKHWXDREUKDDK-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@H](CNC)C1 ZINC000261548171 535351059 /nfs/dbraw/zinc/35/10/59/535351059.db2.gz NFKHWXDREUKDDK-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@@H](C)C[NH2+]C1CCC(CSC)CC1 ZINC000423271656 192664421 /nfs/dbraw/zinc/66/44/21/192664421.db2.gz JEPVDFGAFWMSSY-PNESKVBLSA-N 1 3 244.448 2.353 20 0 BEADHO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)N)c(C)s1 ZINC000582952021 357444150 /nfs/dbraw/zinc/44/41/50/357444150.db2.gz BPWDKRUKRKFMDT-BDAKNGLRSA-N 1 3 212.362 2.190 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])CC2 ZINC000423297492 192687339 /nfs/dbraw/zinc/68/73/39/192687339.db2.gz KNBQADDCOZHGAK-BXUZGUMPSA-N 1 3 218.344 2.167 20 0 BEADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCNC(C)C ZINC000582899106 357424722 /nfs/dbraw/zinc/42/47/22/357424722.db2.gz YQPPILHVGODZGU-KBPBESRZSA-N 1 3 242.407 2.169 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000584386855 357480895 /nfs/dbraw/zinc/48/08/95/357480895.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000584386855 357480896 /nfs/dbraw/zinc/48/08/96/357480896.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000584386855 357480898 /nfs/dbraw/zinc/48/08/98/357480898.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000584386855 357480900 /nfs/dbraw/zinc/48/09/00/357480900.db2.gz FZZBCXDQRBYDAA-LBPRGKRZSA-N 1 3 210.365 2.060 20 0 BEADHO Cc1cc(C)c(CN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000396976190 357488060 /nfs/dbraw/zinc/48/80/60/357488060.db2.gz KIGTZSXIGROPKK-KGLIPLIRSA-N 1 3 233.359 2.058 20 0 BEADHO C[C@@H]([NH2+]CCOCCN(C)C)C1CCCCC1 ZINC000231786898 357628892 /nfs/dbraw/zinc/62/88/92/357628892.db2.gz GLZHQKGKOSFRNR-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000191545763 357784806 /nfs/dbraw/zinc/78/48/06/357784806.db2.gz GGCUZXIREOCWQQ-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000191545763 357784809 /nfs/dbraw/zinc/78/48/09/357784809.db2.gz GGCUZXIREOCWQQ-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H]2CCC[C@@H]2C1 ZINC000191545763 357784815 /nfs/dbraw/zinc/78/48/15/357784815.db2.gz GGCUZXIREOCWQQ-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168519344 134225537 /nfs/dbraw/zinc/22/55/37/134225537.db2.gz PMGFEGCVGCHVNX-MNOVXSKESA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000168501527 134224647 /nfs/dbraw/zinc/22/46/47/134224647.db2.gz ZFGHCPBRMVQXCP-MNOVXSKESA-N 1 3 224.373 2.226 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CCCc2ccccc2)C1 ZINC000235438507 357869420 /nfs/dbraw/zinc/86/94/20/357869420.db2.gz SHWVVQUCWWAYNM-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CCCc2ccccc2)C1 ZINC000235438507 357869423 /nfs/dbraw/zinc/86/94/23/357869423.db2.gz SHWVVQUCWWAYNM-HNNXBMFYSA-N 1 3 232.371 2.290 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC2CC2)C1 ZINC000229692405 491119250 /nfs/dbraw/zinc/11/92/50/491119250.db2.gz HRPADKIECJKYNH-TZMCWYRMSA-N 1 3 224.392 2.495 20 0 BEADHO Cc1ccsc1CN[C@H]1CCC[NH2+]CC1 ZINC000168771719 134247627 /nfs/dbraw/zinc/24/76/27/134247627.db2.gz UTVHXAAMPYIYDO-NSHDSACASA-N 1 3 224.373 2.288 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000168770248 134247643 /nfs/dbraw/zinc/24/76/43/134247643.db2.gz VQBZZFNQTVKSCA-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000168755572 134247669 /nfs/dbraw/zinc/24/76/69/134247669.db2.gz DFMCYDCQSGUIIW-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCC2CC2)c2ccccc21 ZINC000169232564 134249960 /nfs/dbraw/zinc/24/99/60/134249960.db2.gz MUEQIPSIOVLDGY-CHWSQXEVSA-N 1 3 202.301 2.131 20 0 BEADHO CCOC[C@@H]1CCCC[N@@H+]1C[C@H](N)CC(C)C ZINC000313209143 491120604 /nfs/dbraw/zinc/12/06/04/491120604.db2.gz GRCNVRYAYXFQGG-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CCOC[C@@H]1CCCC[N@H+]1C[C@H](N)CC(C)C ZINC000313209143 491120606 /nfs/dbraw/zinc/12/06/06/491120606.db2.gz GRCNVRYAYXFQGG-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000583882366 358117201 /nfs/dbraw/zinc/11/72/01/358117201.db2.gz DLJQDDXYFLUMFU-YVECIDJPSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583882366 358117204 /nfs/dbraw/zinc/11/72/04/358117204.db2.gz DLJQDDXYFLUMFU-YVECIDJPSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)Cc1cccs1)CN(C)C ZINC000390372782 491122111 /nfs/dbraw/zinc/12/21/11/491122111.db2.gz WIAAKQJBKNOCTN-RYUDHWBXSA-N 1 3 240.416 2.466 20 0 BEADHO COc1cccc2c1CCC[C@H]2NCC[C@H](C)[NH3+] ZINC000584834125 358196975 /nfs/dbraw/zinc/19/69/75/358196975.db2.gz ZNNRVPBQBVCWEP-SMDDNHRTSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222907773 358216067 /nfs/dbraw/zinc/21/60/67/358216067.db2.gz JPLZWDBXRKWRSG-UPJWGTAASA-N 1 3 236.359 2.460 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222907773 358216069 /nfs/dbraw/zinc/21/60/69/358216069.db2.gz JPLZWDBXRKWRSG-UPJWGTAASA-N 1 3 236.359 2.460 20 0 BEADHO CSCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173786622 134277457 /nfs/dbraw/zinc/27/74/57/134277457.db2.gz DMLIDCUXROEJKB-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000173786622 134277458 /nfs/dbraw/zinc/27/74/58/134277458.db2.gz DMLIDCUXROEJKB-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000173786622 134277459 /nfs/dbraw/zinc/27/74/59/134277459.db2.gz DMLIDCUXROEJKB-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCc1ccccc1 ZINC000131486606 358678525 /nfs/dbraw/zinc/67/85/25/358678525.db2.gz AOEROUQKYHJYKH-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCc1ccccc1 ZINC000131486606 358678526 /nfs/dbraw/zinc/67/85/26/358678526.db2.gz AOEROUQKYHJYKH-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO FCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134870324 358809261 /nfs/dbraw/zinc/80/92/61/358809261.db2.gz VIKBEPBGGQMULS-JSGCOSHPSA-N 1 3 240.366 2.295 20 0 BEADHO FCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134870324 358809265 /nfs/dbraw/zinc/80/92/65/358809265.db2.gz VIKBEPBGGQMULS-JSGCOSHPSA-N 1 3 240.366 2.295 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCNC[C@H]1C ZINC000423407838 192748281 /nfs/dbraw/zinc/74/82/81/192748281.db2.gz WKQCSZSYFLWSON-LPWJVIDDSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCC2)CCN1 ZINC000423388159 192762087 /nfs/dbraw/zinc/76/20/87/192762087.db2.gz TZBXPDYGUAJKAP-SWHYSGLUSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423454106 192776181 /nfs/dbraw/zinc/77/61/81/192776181.db2.gz KJGQPUPLHRULNS-XADZXUCXSA-N 1 3 222.376 2.009 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCC2=CCCCC2)C1 ZINC000379591795 359557481 /nfs/dbraw/zinc/55/74/81/359557481.db2.gz YCMNUBHVPOMYFX-CHWSQXEVSA-N 1 3 208.349 2.346 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000379586399 359560566 /nfs/dbraw/zinc/56/05/66/359560566.db2.gz JMEUAZXHBHJUEH-STQMWFEESA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1=CCCCC1 ZINC000379586399 359560569 /nfs/dbraw/zinc/56/05/69/359560569.db2.gz JMEUAZXHBHJUEH-STQMWFEESA-N 1 3 208.349 2.204 20 0 BEADHO C[C@@H]1CSCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000249034018 359616147 /nfs/dbraw/zinc/61/61/47/359616147.db2.gz MHJLRLZVPMOKKX-QWHCGFSZSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H]1CSCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000249034018 359616151 /nfs/dbraw/zinc/61/61/51/359616151.db2.gz MHJLRLZVPMOKKX-QWHCGFSZSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000578518762 366588444 /nfs/dbraw/zinc/58/84/44/366588444.db2.gz GTZOCALULGPTQT-XQQFMLRXSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H](CCc1ccco1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000578518762 366588447 /nfs/dbraw/zinc/58/84/47/366588447.db2.gz GTZOCALULGPTQT-XQQFMLRXSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCNC1 ZINC000087646944 359922243 /nfs/dbraw/zinc/92/22/43/359922243.db2.gz LLZKBJNVLGPPPU-MGPQQGTHSA-N 1 3 224.392 2.402 20 0 BEADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCCNC2)c1 ZINC000088162167 359938576 /nfs/dbraw/zinc/93/85/76/359938576.db2.gz OAHXYTBTFKEGSJ-JSGCOSHPSA-N 1 3 218.344 2.398 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+]C2CCNCC2)c1 ZINC000088162094 359938852 /nfs/dbraw/zinc/93/88/52/359938852.db2.gz XQYOSOSNSXFNNK-GFCCVEGCSA-N 1 3 218.344 2.398 20 0 BEADHO CC[C@@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088249780 359942844 /nfs/dbraw/zinc/94/28/44/359942844.db2.gz BCXCOULHNIDEGW-ZNMIVQPWSA-N 1 3 230.355 2.289 20 0 BEADHO COc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144603 359992559 /nfs/dbraw/zinc/99/25/59/359992559.db2.gz HGLJZYKPAIQEFO-HIFRSBDPSA-N 1 3 248.370 2.302 20 0 BEADHO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089145909 359993063 /nfs/dbraw/zinc/99/30/63/359993063.db2.gz RUVDUBCSPLZJKU-ZIAGYGMSSA-N 1 3 242.407 2.156 20 0 BEADHO CC(C)CCOCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089145909 359993066 /nfs/dbraw/zinc/99/30/66/359993066.db2.gz RUVDUBCSPLZJKU-ZIAGYGMSSA-N 1 3 242.407 2.156 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000089150405 359993714 /nfs/dbraw/zinc/99/37/14/359993714.db2.gz VFKMFTFOCZBGEG-GXFFZTMASA-N 1 3 240.297 2.182 20 0 BEADHO COc1ccccc1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000089749239 360037250 /nfs/dbraw/zinc/03/72/50/360037250.db2.gz LSWBSPSXKBVGFI-CYBMUJFWSA-N 1 3 248.370 2.127 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]CC1=CCN(C)CC1 ZINC000309520312 491149872 /nfs/dbraw/zinc/14/98/72/491149872.db2.gz ZUZGMZOPDKTBHU-GFCCVEGCSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCN)C1 ZINC000414759326 200761767 /nfs/dbraw/zinc/76/17/67/200761767.db2.gz ZXAXVPLEGXDSEA-LSDHHAIUSA-N 1 3 232.371 2.435 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156086660 360947356 /nfs/dbraw/zinc/94/73/56/360947356.db2.gz YVGHZDKCZGZPLW-RWMBFGLXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000629406526 361055061 /nfs/dbraw/zinc/05/50/61/361055061.db2.gz NIJYSLSFBKFDLE-NAWOPXAZSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000629406516 361055187 /nfs/dbraw/zinc/05/51/87/361055187.db2.gz NGTSEZQKCRAKBU-QJPTWQEYSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C ZINC000629390398 361037656 /nfs/dbraw/zinc/03/76/56/361037656.db2.gz DXGNJMGBZWWQMZ-ZDEQEGDKSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000629407672 361057076 /nfs/dbraw/zinc/05/70/76/361057076.db2.gz HSSABVYBYMRZBP-KSSYENDESA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629408239 361057789 /nfs/dbraw/zinc/05/77/89/361057789.db2.gz SDAQRKIVWSXRRG-WUHRBBMRSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]1CCC[C@@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000629409344 361058167 /nfs/dbraw/zinc/05/81/67/361058167.db2.gz QLCFCVGOBWXTGT-YNEHKIRRSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000629408341 361058491 /nfs/dbraw/zinc/05/84/91/361058491.db2.gz UBXUDVPATKCRMD-IGHBBLSQSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](CCC(F)(F)F)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629418400 361063283 /nfs/dbraw/zinc/06/32/83/361063283.db2.gz XTXSZKVBKTVICO-BBBLOLIVSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@@H](CCC(F)(F)F)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629418403 361063321 /nfs/dbraw/zinc/06/33/21/361063321.db2.gz XTXSZKVBKTVICO-UTLUCORTSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCCC1 ZINC000629521172 361117746 /nfs/dbraw/zinc/11/77/46/361117746.db2.gz RXKMVFQZIWZOOM-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCCC1 ZINC000629521172 361117747 /nfs/dbraw/zinc/11/77/47/361117747.db2.gz RXKMVFQZIWZOOM-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO COc1cccc2c1CN(CC1CC[NH2+]CC1)C2 ZINC000629500506 361101285 /nfs/dbraw/zinc/10/12/85/361101285.db2.gz CWWOJHUXALNPBL-UHFFFAOYSA-N 1 3 246.354 2.010 20 0 BEADHO CCC[C@H](C)CCC[N@@H+]1CC[C@H](CN)C1 ZINC000629511421 361106219 /nfs/dbraw/zinc/10/62/19/361106219.db2.gz ILYMBJYWXVFXCP-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@H](C)CCC[N@H+]1CC[C@H](CN)C1 ZINC000629511421 361106223 /nfs/dbraw/zinc/10/62/23/361106223.db2.gz ILYMBJYWXVFXCP-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO CCO[C@@H](CN(C)CC[C@H]([NH3+])C(C)C)C1CC1 ZINC000629512947 361107584 /nfs/dbraw/zinc/10/75/84/361107584.db2.gz JQKOFCYDGHHODR-KBPBESRZSA-N 1 3 242.407 2.107 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)C1CCC1 ZINC000629528433 361137396 /nfs/dbraw/zinc/13/73/96/361137396.db2.gz ZCRYOPWXEOIPRD-RWMBFGLXSA-N 1 3 210.365 2.295 20 0 BEADHO C1CC1C1([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000309697899 491154612 /nfs/dbraw/zinc/15/46/12/491154612.db2.gz RXSVCAUIELJUKA-OLZOCXBDSA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000309697899 491154613 /nfs/dbraw/zinc/15/46/13/491154613.db2.gz RXSVCAUIELJUKA-OLZOCXBDSA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000309697899 491154614 /nfs/dbraw/zinc/15/46/14/491154614.db2.gz RXSVCAUIELJUKA-OLZOCXBDSA-N 1 3 220.360 2.145 20 0 BEADHO CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1CC ZINC000629526280 361127779 /nfs/dbraw/zinc/12/77/79/361127779.db2.gz OTEGGOFFBJMZGW-WUHRBBMRSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CCC[NH3+])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424375324 200925112 /nfs/dbraw/zinc/92/51/12/200925112.db2.gz MUJJTVOLNUKRQD-KWCYVHTRSA-N 1 3 236.334 2.341 20 0 BEADHO C[C@H](NCC[C@@H]1CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000622043659 370674464 /nfs/dbraw/zinc/67/44/64/370674464.db2.gz HFLQJAMDQSNUNR-AXFHLTTASA-N 1 3 232.318 2.152 20 0 BEADHO C[C@@H](NCC[C@@H]1CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000622043662 370675693 /nfs/dbraw/zinc/67/56/93/370675693.db2.gz HFLQJAMDQSNUNR-GMTAPVOTSA-N 1 3 232.318 2.152 20 0 BEADHO CO[C@@H](c1ccccc1)[C@@H](C)NCC[C@H](C)[NH3+] ZINC000622044839 370676784 /nfs/dbraw/zinc/67/67/84/370676784.db2.gz UVNZJBCRKUMVQD-OUCADQQQSA-N 1 3 236.359 2.090 20 0 BEADHO CCCCO[C@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000622045307 370679726 /nfs/dbraw/zinc/67/97/26/370679726.db2.gz LURWZBYMPMUOIV-AVGNSLFASA-N 1 3 242.407 2.297 20 0 BEADHO CCCCO[C@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000622045307 370679733 /nfs/dbraw/zinc/67/97/33/370679733.db2.gz LURWZBYMPMUOIV-AVGNSLFASA-N 1 3 242.407 2.297 20 0 BEADHO NC1(C[NH2+][C@@H]2CCCNc3ccccc32)CCC1 ZINC000333347962 181332211 /nfs/dbraw/zinc/33/22/11/181332211.db2.gz ZRRVQERFDAAHIB-CQSZACIVSA-N 1 3 245.370 2.404 20 0 BEADHO CC1(C)CC(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000629536556 361399724 /nfs/dbraw/zinc/39/97/24/361399724.db2.gz HYMWWFILSVHONH-ZFWWWQNUSA-N 1 3 236.403 2.483 20 0 BEADHO CC1(C)CC(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000629536556 361399728 /nfs/dbraw/zinc/39/97/28/361399728.db2.gz HYMWWFILSVHONH-ZFWWWQNUSA-N 1 3 236.403 2.483 20 0 BEADHO CCC[C@@](C)(N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429573221 201117906 /nfs/dbraw/zinc/11/79/06/201117906.db2.gz YFXOGACSBNCGFM-IINYFYTJSA-N 1 3 249.358 2.162 20 0 BEADHO CC[C@H](NCCOCCC[NH3+])c1ccsc1 ZINC000629540778 361415720 /nfs/dbraw/zinc/41/57/20/361415720.db2.gz XNKBJTAAMUKLKF-LBPRGKRZSA-N 1 3 242.388 2.154 20 0 BEADHO C[C@@H](NC[C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000629554281 361439757 /nfs/dbraw/zinc/43/97/57/361439757.db2.gz HGYIPMFUXMZEAZ-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000629554281 361439762 /nfs/dbraw/zinc/43/97/62/361439762.db2.gz HGYIPMFUXMZEAZ-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC23CC3)C1 ZINC000629554433 361439776 /nfs/dbraw/zinc/43/97/76/361439776.db2.gz ITRBPWJYTSOFRO-UPJWGTAASA-N 1 3 222.376 2.426 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000629554435 361440188 /nfs/dbraw/zinc/44/01/88/361440188.db2.gz ITRBPWJYTSOFRO-YNEHKIRRSA-N 1 3 222.376 2.426 20 0 BEADHO CO[C@H]1C[C@@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000629555522 361447779 /nfs/dbraw/zinc/44/77/79/361447779.db2.gz WHUPMEWIDANCAV-BVIHXZOGSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]2C2CCC2)C[NH2+]1 ZINC000629542551 361419457 /nfs/dbraw/zinc/41/94/57/361419457.db2.gz FPWFSIMJMDYYME-YXCITZCRSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562477 361456132 /nfs/dbraw/zinc/45/61/32/361456132.db2.gz NJTGPKHQWSSJMX-IVZWLZJFSA-N 1 3 238.297 2.244 20 0 BEADHO CC1(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCC1 ZINC000629661479 361594873 /nfs/dbraw/zinc/59/48/73/361594873.db2.gz BJETUEGLORQACW-OKILXGFUSA-N 1 3 222.376 2.108 20 0 BEADHO CC[N@H+](CCCCCOC)[C@@H]1CCCNCC1 ZINC000435612308 201280144 /nfs/dbraw/zinc/28/01/44/201280144.db2.gz FMQIEEOGWYDWAB-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO CC[N@@H+](CCCCCOC)[C@@H]1CCCNCC1 ZINC000435612308 201280149 /nfs/dbraw/zinc/28/01/49/201280149.db2.gz FMQIEEOGWYDWAB-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C)cn1 ZINC000155337203 201323287 /nfs/dbraw/zinc/32/32/87/201323287.db2.gz QYHPQBGXHRUWCN-UHFFFAOYSA-N 1 3 235.375 2.067 20 0 BEADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCN ZINC000437767718 201372240 /nfs/dbraw/zinc/37/22/40/201372240.db2.gz AXUWZYVOHDCIOC-LLVKDONJSA-N 1 3 224.323 2.085 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000437771097 201372968 /nfs/dbraw/zinc/37/29/68/201372968.db2.gz GSVFCTLJGAUSLQ-GJZGRUSLSA-N 1 3 232.371 2.336 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955075 364277431 /nfs/dbraw/zinc/27/74/31/364277431.db2.gz HEKRGNVBYBPGQN-WOPDTQHZSA-N 1 3 210.365 2.295 20 0 BEADHO COC1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000573696558 364896963 /nfs/dbraw/zinc/89/69/63/364896963.db2.gz JVQFQZAPCNVPAG-DKNRTOFZSA-N 1 3 240.391 2.051 20 0 BEADHO [NH3+]CCCN(Cc1cccnc1)CC1CCCC1 ZINC000352504614 181379504 /nfs/dbraw/zinc/37/95/04/181379504.db2.gz SGAGOKXCLDYJSS-UHFFFAOYSA-N 1 3 247.386 2.423 20 0 BEADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccoc1 ZINC000574269159 365023841 /nfs/dbraw/zinc/02/38/41/365023841.db2.gz LBQXRGUQMFZJHX-DGCLKSJQSA-N 1 3 222.332 2.462 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC1CCOCC1 ZINC000171829483 365245111 /nfs/dbraw/zinc/24/51/11/365245111.db2.gz ZROAKURTQUBJHQ-UHFFFAOYSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC1CCOCC1 ZINC000171829483 365245115 /nfs/dbraw/zinc/24/51/15/365245115.db2.gz ZROAKURTQUBJHQ-UHFFFAOYSA-N 1 3 242.407 2.077 20 0 BEADHO CC[NH+](CC)CCCN(C)CC1CCOCC1 ZINC000171829483 365245123 /nfs/dbraw/zinc/24/51/23/365245123.db2.gz ZROAKURTQUBJHQ-UHFFFAOYSA-N 1 3 242.407 2.077 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000575427332 365317417 /nfs/dbraw/zinc/31/74/17/365317417.db2.gz IQDPYNZYZNYRBT-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000575427332 365317420 /nfs/dbraw/zinc/31/74/20/365317420.db2.gz IQDPYNZYZNYRBT-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000575427332 365317422 /nfs/dbraw/zinc/31/74/22/365317422.db2.gz IQDPYNZYZNYRBT-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000575742107 365347992 /nfs/dbraw/zinc/34/79/92/365347992.db2.gz FGHQHFKGIVFTDE-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO CN(CCC[NH3+])CCSCc1ccccc1 ZINC000575749386 365352467 /nfs/dbraw/zinc/35/24/67/365352467.db2.gz QXTSJGSIKMWPRS-UHFFFAOYSA-N 1 3 238.400 2.200 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cc(C)sc1C ZINC000579809483 367016673 /nfs/dbraw/zinc/01/66/73/367016673.db2.gz CQKGYZIIXLCHMO-NSHDSACASA-N 1 3 212.362 2.192 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000579949632 367097674 /nfs/dbraw/zinc/09/76/74/367097674.db2.gz BCTISQIJHUKEOD-RWMBFGLXSA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000579949632 367097675 /nfs/dbraw/zinc/09/76/75/367097675.db2.gz BCTISQIJHUKEOD-RWMBFGLXSA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000579949632 367097676 /nfs/dbraw/zinc/09/76/76/367097676.db2.gz BCTISQIJHUKEOD-RWMBFGLXSA-N 1 3 242.432 2.200 20 0 BEADHO CC[NH2+]CCCN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000581065718 367249842 /nfs/dbraw/zinc/24/98/42/367249842.db2.gz HYJJQPGFLQAQPH-QWHCGFSZSA-N 1 3 242.407 2.168 20 0 BEADHO C[C@H](C[NH2+]CC1(C)CC1)CN1CCCCC1 ZINC000381332296 367382615 /nfs/dbraw/zinc/38/26/15/367382615.db2.gz UHFJIRPHGFBZPC-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H](N)C1)C(C)C ZINC000581439803 367472539 /nfs/dbraw/zinc/47/25/39/367472539.db2.gz JPXRBLOJWCVMQB-MGPQQGTHSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H]([NH2+]CCCNC1CC1)C1CCCC1 ZINC000382577155 367543435 /nfs/dbraw/zinc/54/34/35/367543435.db2.gz BEYCPGPRZVOEHM-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000382587102 367545160 /nfs/dbraw/zinc/54/51/60/367545160.db2.gz USTLPUKHTZPXSW-AWEZNQCLSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1C/C=C\c1ccccc1 ZINC000382670047 367553653 /nfs/dbraw/zinc/55/36/53/367553653.db2.gz FLAIQOKFGJKICM-VZFGUZNESA-N 1 3 230.355 2.369 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000382366850 367512652 /nfs/dbraw/zinc/51/26/52/367512652.db2.gz WQBGUGOUMOJDAY-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO CCC[NH2+]CCNC[C@@H]1CCC[C@H](C)C1 ZINC000383112718 367598466 /nfs/dbraw/zinc/59/84/66/367598466.db2.gz IDESIYQXLOEIHT-QWHCGFSZSA-N 1 3 212.381 2.402 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000384940045 367761924 /nfs/dbraw/zinc/76/19/24/367761924.db2.gz QSJQFYDBEXNQBJ-YRGRVCCFSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)[C@@H]1C ZINC000385617904 367847021 /nfs/dbraw/zinc/84/70/21/367847021.db2.gz ICDWINKKKHJHTB-VEGXAWMVSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H](NCC1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000385984599 367892304 /nfs/dbraw/zinc/89/23/04/367892304.db2.gz DBWNCRRILBDTRG-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](NCC1CC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000386010516 367897679 /nfs/dbraw/zinc/89/76/79/367897679.db2.gz MMGITVLBYFNUSV-ONGXEEELSA-N 1 3 232.318 2.152 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000086401893 368880354 /nfs/dbraw/zinc/88/03/54/368880354.db2.gz QISVAEBUPQPFHA-KGLIPLIRSA-N 1 3 218.344 2.089 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccc2)C1 ZINC000086401893 368880356 /nfs/dbraw/zinc/88/03/56/368880356.db2.gz QISVAEBUPQPFHA-KGLIPLIRSA-N 1 3 218.344 2.089 20 0 BEADHO CN1CCCC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000623657113 368997223 /nfs/dbraw/zinc/99/72/23/368997223.db2.gz KASYQPNCMNYYIV-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1cc(C)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000631824194 368987368 /nfs/dbraw/zinc/98/73/68/368987368.db2.gz YJQASIAHMPZSQK-TZMCWYRMSA-N 1 3 247.386 2.176 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000623655812 368991714 /nfs/dbraw/zinc/99/17/14/368991714.db2.gz GBLOMNPUHTVLAE-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CCc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631837391 369094470 /nfs/dbraw/zinc/09/44/70/369094470.db2.gz RZXVYIYBLMLVIM-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631837391 369094473 /nfs/dbraw/zinc/09/44/73/369094473.db2.gz RZXVYIYBLMLVIM-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631837391 369094477 /nfs/dbraw/zinc/09/44/77/369094477.db2.gz RZXVYIYBLMLVIM-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000631838116 369116796 /nfs/dbraw/zinc/11/67/96/369116796.db2.gz JCFAJTAOGPHUTK-DGCLKSJQSA-N 1 3 244.338 2.459 20 0 BEADHO C[C@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000631838117 369116981 /nfs/dbraw/zinc/11/69/81/369116981.db2.gz JCFAJTAOGPHUTK-WCQYABFASA-N 1 3 244.338 2.459 20 0 BEADHO C[C@@H]1CN(CCCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631837994 369112747 /nfs/dbraw/zinc/11/27/47/369112747.db2.gz IDHNFSPAPASCQX-NXEZZACHSA-N 1 3 238.297 2.246 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000567735665 326253214 /nfs/dbraw/zinc/25/32/14/326253214.db2.gz OQJSYQNPUFPWCW-RVMXOQNASA-N 1 3 228.355 2.374 20 0 BEADHO Cc1cc(CNC(C)(C)CCC[NH+](C)C)no1 ZINC000459560511 203300708 /nfs/dbraw/zinc/30/07/08/203300708.db2.gz AOQFSVOFTVHDEG-UHFFFAOYSA-N 1 3 239.363 2.193 20 0 BEADHO CCSCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404326652 369426913 /nfs/dbraw/zinc/42/69/13/369426913.db2.gz VXLGOTMACRLXLR-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404326652 369426916 /nfs/dbraw/zinc/42/69/16/369426916.db2.gz VXLGOTMACRLXLR-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404326652 369426920 /nfs/dbraw/zinc/42/69/20/369426920.db2.gz VXLGOTMACRLXLR-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO Cc1ccoc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459734144 203347375 /nfs/dbraw/zinc/34/73/75/203347375.db2.gz OFINLGIZZDWWAH-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1ccoc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459734144 203347378 /nfs/dbraw/zinc/34/73/78/203347378.db2.gz OFINLGIZZDWWAH-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000459735036 203347508 /nfs/dbraw/zinc/34/75/08/203347508.db2.gz PJKFPCHGSALLEW-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)nc1 ZINC000459735036 203347512 /nfs/dbraw/zinc/34/75/12/203347512.db2.gz PJKFPCHGSALLEW-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccncc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459787783 203369199 /nfs/dbraw/zinc/36/91/99/203369199.db2.gz PYZXKVVUTDDLQU-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccncc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459787783 203369202 /nfs/dbraw/zinc/36/92/02/203369202.db2.gz PYZXKVVUTDDLQU-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@H]1CC[NH2+]C1 ZINC000309635126 370237510 /nfs/dbraw/zinc/23/75/10/370237510.db2.gz MBNKKXNVLFCJNE-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO C[C@@H](C[NH2+]Cc1ccc2[nH]ccc2c1)CN(C)C ZINC000310802081 370366891 /nfs/dbraw/zinc/36/68/91/370366891.db2.gz XOQMYDGRTOAMMZ-LBPRGKRZSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])ccn1 ZINC000621776326 370524597 /nfs/dbraw/zinc/52/45/97/370524597.db2.gz JCDVDBSOLBTJKP-IUODEOHRSA-N 1 3 247.386 2.339 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)cc1 ZINC000621782844 370532181 /nfs/dbraw/zinc/53/21/81/370532181.db2.gz TVGOQMRIPVEGAX-HOTGVXAUSA-N 1 3 244.382 2.351 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3(N)C2)cc1 ZINC000621782844 370532188 /nfs/dbraw/zinc/53/21/88/370532188.db2.gz TVGOQMRIPVEGAX-HOTGVXAUSA-N 1 3 244.382 2.351 20 0 BEADHO C[C@H](NCC(C)(C)C[NH+](C)C)[C@@H]1CCCCO1 ZINC000623849204 371124198 /nfs/dbraw/zinc/12/41/98/371124198.db2.gz YWZXEZLSBUQCQM-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO C[NH+](C)C1CCC(NCc2ccns2)CC1 ZINC000624046910 371271345 /nfs/dbraw/zinc/27/13/45/371271345.db2.gz PUUSLWWAMNCFLX-UHFFFAOYSA-N 1 3 239.388 2.106 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000624120920 371321067 /nfs/dbraw/zinc/32/10/67/371321067.db2.gz KFEQJKZWLXQMES-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000624120677 371321292 /nfs/dbraw/zinc/32/12/92/371321292.db2.gz DXJKBOQHYVWPOB-GFCCVEGCSA-N 1 3 236.403 2.497 20 0 BEADHO CC1CC([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000624121671 371322646 /nfs/dbraw/zinc/32/26/46/371322646.db2.gz ARLKEHGZLFFORK-CPCZMJQVSA-N 1 3 210.365 2.106 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000624123393 371324284 /nfs/dbraw/zinc/32/42/84/371324284.db2.gz LCPHBRXYOJQBIG-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624123196 371324604 /nfs/dbraw/zinc/32/46/04/371324604.db2.gz HSICNQFWVAIFLH-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO C/C=C\C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000624197659 371386052 /nfs/dbraw/zinc/38/60/52/371386052.db2.gz SOCPGOPIOIANRU-WAYWQWQTSA-N 1 3 210.365 2.415 20 0 BEADHO Cc1cc(C)c(CN[C@H](C)CC[NH3+])c(C)c1 ZINC000220497309 134305607 /nfs/dbraw/zinc/30/56/07/134305607.db2.gz AHQYOXCXKVQSKI-CYBMUJFWSA-N 1 3 220.360 2.439 20 0 BEADHO Cc1cc(C)c(CN2C[C@@H](C[NH3+])C[C@@H]2C)c(C)n1 ZINC000631822439 372598496 /nfs/dbraw/zinc/59/84/96/372598496.db2.gz DETYDOCUIBQAKA-GXTWGEPZSA-N 1 3 247.386 2.176 20 0 BEADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C[NH3+] ZINC000631839210 372633491 /nfs/dbraw/zinc/63/34/91/372633491.db2.gz BXJCUHVVGDPCLF-IXPVHAAZSA-N 1 3 248.345 2.340 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839060 372634466 /nfs/dbraw/zinc/63/44/66/372634466.db2.gz ZJCXDUNNDPNVOU-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839060 372634471 /nfs/dbraw/zinc/63/44/71/372634471.db2.gz ZJCXDUNNDPNVOU-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccccc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839060 372634474 /nfs/dbraw/zinc/63/44/74/372634474.db2.gz ZJCXDUNNDPNVOU-IUODEOHRSA-N 1 3 232.371 2.276 20 0 BEADHO COc1ccc(C)cc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844377 372643721 /nfs/dbraw/zinc/64/37/21/372643721.db2.gz WZUUEYUNOOBRKB-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO C[C@H](C[N@H+](C)CCCN)C1CCCCC1 ZINC000379981674 373099091 /nfs/dbraw/zinc/09/90/91/373099091.db2.gz HSHLEADPMODECW-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H](C[N@@H+](C)CCCN)C1CCCCC1 ZINC000379981674 373099098 /nfs/dbraw/zinc/09/90/98/373099098.db2.gz HSHLEADPMODECW-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H](CN(C)CCC[NH3+])C1CCCCC1 ZINC000379981674 373099106 /nfs/dbraw/zinc/09/91/06/373099106.db2.gz HSHLEADPMODECW-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382231 206040371 /nfs/dbraw/zinc/04/03/71/206040371.db2.gz RXIWRTXCSBYYOH-RFGFWPKPSA-N 1 3 222.376 2.140 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424381317 206040398 /nfs/dbraw/zinc/04/03/98/206040398.db2.gz YJXAVLUQEQUKPS-XJFOESAGSA-N 1 3 222.376 2.282 20 0 BEADHO Cc1ccc(CN[C@H](C)CC[NH3+])cc1Cl ZINC000220509822 134309857 /nfs/dbraw/zinc/30/98/57/134309857.db2.gz WNGYTTAGDNZALK-SNVBAGLBSA-N 1 3 226.751 2.475 20 0 BEADHO CCC[NH+]1CCC(NC[C@H]2CCC=CO2)CC1 ZINC000050267751 169188114 /nfs/dbraw/zinc/18/81/14/169188114.db2.gz LIWSWRMBLPIMIU-CQSZACIVSA-N 1 3 238.375 2.143 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]2CC)C1 ZINC000336782973 169209135 /nfs/dbraw/zinc/20/91/35/169209135.db2.gz ZDIVGGNMCSDJIH-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@H]2CC)C1 ZINC000336782974 169209294 /nfs/dbraw/zinc/20/92/94/169209294.db2.gz ZDIVGGNMCSDJIH-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[C@@H](C)C[NH2+]CC1=CCN(C)CC1 ZINC000309092799 169358705 /nfs/dbraw/zinc/35/87/05/169358705.db2.gz CTTZXXVJOXXKEJ-GFCCVEGCSA-N 1 3 210.365 2.274 20 0 BEADHO CCC[C@@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717611 169359276 /nfs/dbraw/zinc/35/92/76/169359276.db2.gz YCMUJNBEBMDCNA-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717614 169359459 /nfs/dbraw/zinc/35/94/59/169359459.db2.gz YCMUJNBEBMDCNA-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCCC2CCCC2)C1 ZINC000226420546 134365507 /nfs/dbraw/zinc/36/55/07/134365507.db2.gz GTZAVXMUPXISKN-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000069793370 383845762 /nfs/dbraw/zinc/84/57/62/383845762.db2.gz JFSSCGNQBVCDDO-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CC1(C)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000069793370 383845765 /nfs/dbraw/zinc/84/57/65/383845765.db2.gz JFSSCGNQBVCDDO-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@]1(CN2CCCC(C)(C)C2)CC[NH2+]C1 ZINC000069794524 383845977 /nfs/dbraw/zinc/84/59/77/383845977.db2.gz GWRRDFXIQNEKCQ-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccnc1 ZINC000037649301 383989267 /nfs/dbraw/zinc/98/92/67/383989267.db2.gz VAFQSEQIYZGGOX-STQMWFEESA-N 1 3 245.370 2.217 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccnc1 ZINC000037649304 383989610 /nfs/dbraw/zinc/98/96/10/383989610.db2.gz VAFQSEQIYZGGOX-CHWSQXEVSA-N 1 3 245.370 2.217 20 0 BEADHO c1ccc2c(c1)nccc2N[C@H]1CCC[NH2+]C1 ZINC000071397615 383992280 /nfs/dbraw/zinc/99/22/80/383992280.db2.gz HQXHKNSAKUXKLN-NSHDSACASA-N 1 3 227.311 2.399 20 0 BEADHO c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408231 383973145 /nfs/dbraw/zinc/97/31/45/383973145.db2.gz AKUXGHJGFRAAEP-CQSZACIVSA-N 1 3 230.355 2.261 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643546097 384016991 /nfs/dbraw/zinc/01/69/91/384016991.db2.gz IHIXTCBPLMOQKZ-JQWIXIFHSA-N 1 3 208.349 2.049 20 0 BEADHO CC(C)(C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072167903 384018600 /nfs/dbraw/zinc/01/86/00/384018600.db2.gz GLTCEZRXURMIEY-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000235887565 384032063 /nfs/dbraw/zinc/03/20/63/384032063.db2.gz PMEDIVMXDBBAEA-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@](C)(CN)C2)cc1 ZINC000235887565 384032066 /nfs/dbraw/zinc/03/20/66/384032066.db2.gz PMEDIVMXDBBAEA-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@](C)(CN)C2)cc1 ZINC000235887565 384032072 /nfs/dbraw/zinc/03/20/72/384032072.db2.gz PMEDIVMXDBBAEA-CQSZACIVSA-N 1 3 218.344 2.166 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547194 384033867 /nfs/dbraw/zinc/03/38/67/384033867.db2.gz AYWABYHZASYTHH-NEPJUHHUSA-N 1 3 222.376 2.439 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163177037 384070568 /nfs/dbraw/zinc/07/05/68/384070568.db2.gz RBLQPORCPZTZAD-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CN(C)C ZINC000310254474 384107401 /nfs/dbraw/zinc/10/74/01/384107401.db2.gz OWADLSAUFKUFKO-VXGBXAGGSA-N 1 3 242.407 2.120 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000070748376 384136133 /nfs/dbraw/zinc/13/61/33/384136133.db2.gz CIAKVSYCOLMDBW-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000163206201 384166133 /nfs/dbraw/zinc/16/61/33/384166133.db2.gz NPBQKRQRYPCKBR-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO CNCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000309636650 384184998 /nfs/dbraw/zinc/18/49/98/384184998.db2.gz MYGIERPFAZSWBT-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO CNCCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000309636650 384185000 /nfs/dbraw/zinc/18/50/00/384185000.db2.gz MYGIERPFAZSWBT-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1CC1 ZINC000422916858 384216254 /nfs/dbraw/zinc/21/62/54/384216254.db2.gz BSLZCPCOMBDPGZ-JTQLQIEISA-N 1 3 233.359 2.299 20 0 BEADHO C[C@@H]([NH2+]C1CC1)c1ccc(OCCN(C)C)cc1 ZINC000132627516 384240557 /nfs/dbraw/zinc/24/05/57/384240557.db2.gz INAWFOBLRVKIOT-GFCCVEGCSA-N 1 3 248.370 2.440 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC000082594454 384240743 /nfs/dbraw/zinc/24/07/43/384240743.db2.gz MFBPVWPFHZLZMN-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC000082594454 384240745 /nfs/dbraw/zinc/24/07/45/384240745.db2.gz MFBPVWPFHZLZMN-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000228537573 384272378 /nfs/dbraw/zinc/27/23/78/384272378.db2.gz XBSFAUXONVIAPO-YNEHKIRRSA-N 1 3 236.384 2.307 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1nccs1 ZINC000083143268 384284299 /nfs/dbraw/zinc/28/42/99/384284299.db2.gz KCKUSNONPBHEGI-JTQLQIEISA-N 1 3 227.377 2.136 20 0 BEADHO CC(C)OCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000173962314 384292961 /nfs/dbraw/zinc/29/29/61/384292961.db2.gz ISWFCMWPDRDPHW-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000173962314 384292969 /nfs/dbraw/zinc/29/29/69/384292969.db2.gz ISWFCMWPDRDPHW-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCOC(C)C)[C@H](C)C1 ZINC000174772711 384363384 /nfs/dbraw/zinc/36/33/84/384363384.db2.gz AVPLBWSBHOEOPB-ZIAGYGMSSA-N 1 3 242.407 2.074 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCOC(C)C)[C@H](C)C1 ZINC000174772711 384363388 /nfs/dbraw/zinc/36/33/88/384363388.db2.gz AVPLBWSBHOEOPB-ZIAGYGMSSA-N 1 3 242.407 2.074 20 0 BEADHO COC(C)(C)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000533479199 384363401 /nfs/dbraw/zinc/36/34/01/384363401.db2.gz SCDZZNHYCUFKNY-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO COC(C)(C)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000533479199 384363409 /nfs/dbraw/zinc/36/34/09/384363409.db2.gz SCDZZNHYCUFKNY-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO CCOC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000159196961 384363783 /nfs/dbraw/zinc/36/37/83/384363783.db2.gz GHQFIIRCVIDJQA-YHWZYXNKSA-N 1 3 240.391 2.016 20 0 BEADHO CCOC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159196961 384363787 /nfs/dbraw/zinc/36/37/87/384363787.db2.gz GHQFIIRCVIDJQA-YHWZYXNKSA-N 1 3 240.391 2.016 20 0 BEADHO CN1CC=C(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000335600895 384367705 /nfs/dbraw/zinc/36/77/05/384367705.db2.gz LBFNPMBUBMBFTK-UHFFFAOYSA-N 1 3 208.349 2.027 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000084126066 384371233 /nfs/dbraw/zinc/37/12/33/384371233.db2.gz FNLXSRQDEQGQDY-OLZOCXBDSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000084126066 384371240 /nfs/dbraw/zinc/37/12/40/384371240.db2.gz FNLXSRQDEQGQDY-OLZOCXBDSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccoc1CNCCC1CC[NH+](C)CC1 ZINC000135175347 384423398 /nfs/dbraw/zinc/42/33/98/384423398.db2.gz NHVLNRWKDZPKNT-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CCCSC)C1 ZINC000174966576 384381281 /nfs/dbraw/zinc/38/12/81/384381281.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCSC)C1 ZINC000174966576 384381287 /nfs/dbraw/zinc/38/12/87/384381287.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CCCSC)C1 ZINC000174966576 384381292 /nfs/dbraw/zinc/38/12/92/384381292.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCSC)C1 ZINC000174966576 384381301 /nfs/dbraw/zinc/38/13/01/384381301.db2.gz GIMLPFOPPJYJJU-ZDUSSCGKSA-N 1 3 244.448 2.403 20 0 BEADHO CC[C@@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000181134014 384456360 /nfs/dbraw/zinc/45/63/60/384456360.db2.gz NBMUDDKVYMFFPT-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000181134014 384456368 /nfs/dbraw/zinc/45/63/68/384456368.db2.gz NBMUDDKVYMFFPT-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000181134014 384456371 /nfs/dbraw/zinc/45/63/71/384456371.db2.gz NBMUDDKVYMFFPT-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)c2ccccc21 ZINC000335659876 384462694 /nfs/dbraw/zinc/46/26/94/384462694.db2.gz NDCARZXRRCVHQW-CABCVRRESA-N 1 3 244.338 2.068 20 0 BEADHO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000306009752 384469683 /nfs/dbraw/zinc/46/96/83/384469683.db2.gz OPRQXJCVCQOAAA-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO COC(C)(C)[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000306009752 384469688 /nfs/dbraw/zinc/46/96/88/384469688.db2.gz OPRQXJCVCQOAAA-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000397341832 384508044 /nfs/dbraw/zinc/50/80/44/384508044.db2.gz QMLDXLZKVPFHIC-NEPJUHHUSA-N 1 3 230.421 2.093 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000397341836 384508908 /nfs/dbraw/zinc/50/89/08/384508908.db2.gz QMLDXLZKVPFHIC-NWDGAFQWSA-N 1 3 230.421 2.093 20 0 BEADHO C[C@H](NCCCC[NH3+])c1ccccc1F ZINC000037714814 384513397 /nfs/dbraw/zinc/51/33/97/384513397.db2.gz VAPNOGJYLQBQMG-JTQLQIEISA-N 1 3 210.296 2.215 20 0 BEADHO C[C@H](C[NH2+]C1CC(C)(C)C1)CN1CCCC1 ZINC000309565435 384517819 /nfs/dbraw/zinc/51/78/19/384517819.db2.gz MCOZKPGGERGSPI-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO Fc1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CC2 ZINC000335059723 384520979 /nfs/dbraw/zinc/52/09/79/384520979.db2.gz NOSIAXXTXZBBBU-HNNXBMFYSA-N 1 3 246.329 2.322 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCSC1)CN1CCCC1 ZINC000309707794 384548692 /nfs/dbraw/zinc/54/86/92/384548692.db2.gz WBGVZXSLHQEGTI-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)(CN[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000309707794 384548701 /nfs/dbraw/zinc/54/87/01/384548701.db2.gz WBGVZXSLHQEGTI-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccnc1 ZINC000019905774 384556343 /nfs/dbraw/zinc/55/63/43/384556343.db2.gz OCPWLWRHJVJARF-GFCCVEGCSA-N 1 3 235.375 2.320 20 0 BEADHO CC(C)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020140608 384587292 /nfs/dbraw/zinc/58/72/92/384587292.db2.gz PPLJVHUVHRYTFN-UHFFFAOYSA-N 1 3 233.359 2.044 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)n1 ZINC000423087188 384564804 /nfs/dbraw/zinc/56/48/04/384564804.db2.gz OYTOHPRLWLQLLY-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccc(CCN[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423087188 384564807 /nfs/dbraw/zinc/56/48/07/384564807.db2.gz OYTOHPRLWLQLLY-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC000020523963 384618691 /nfs/dbraw/zinc/61/86/91/384618691.db2.gz NMYGGOLFSINENC-PRTUASRFSA-N 1 3 245.370 2.357 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000568247597 384602427 /nfs/dbraw/zinc/60/24/27/384602427.db2.gz RDYJLWNVSPXOJA-APTHBXDWSA-N 1 3 236.281 2.187 20 0 BEADHO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCNC ZINC000309852661 384670717 /nfs/dbraw/zinc/67/07/17/384670717.db2.gz YQEKRGJPOBHMKI-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCNC ZINC000309852661 384670723 /nfs/dbraw/zinc/67/07/23/384670723.db2.gz YQEKRGJPOBHMKI-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CCCCN1CCC([NH2+]Cc2cccn2C)CC1 ZINC000050595795 384636497 /nfs/dbraw/zinc/63/64/97/384636497.db2.gz APJLSRILPONZBX-UHFFFAOYSA-N 1 3 249.402 2.379 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C)C2)s1 ZINC000125479778 384724244 /nfs/dbraw/zinc/72/42/44/384724244.db2.gz GBJHYACXGDMTMX-LBPRGKRZSA-N 1 3 238.400 2.440 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)s1 ZINC000125479778 384724251 /nfs/dbraw/zinc/72/42/51/384724251.db2.gz GBJHYACXGDMTMX-LBPRGKRZSA-N 1 3 238.400 2.440 20 0 BEADHO CC(F)(F)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000357718316 384683330 /nfs/dbraw/zinc/68/33/30/384683330.db2.gz VUOHEWMHNYBVDU-GHMZBOCLSA-N 1 3 232.318 2.248 20 0 BEADHO CC(F)(F)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000357718316 384683335 /nfs/dbraw/zinc/68/33/35/384683335.db2.gz VUOHEWMHNYBVDU-GHMZBOCLSA-N 1 3 232.318 2.248 20 0 BEADHO CN(CCCCCF)CC(C)(C)C[NH3+] ZINC000308454630 384729044 /nfs/dbraw/zinc/72/90/44/384729044.db2.gz DIQOBTRYIPWSAF-UHFFFAOYSA-N 1 3 204.333 2.043 20 0 BEADHO CCSCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000300968119 384739846 /nfs/dbraw/zinc/73/98/46/384739846.db2.gz RNEGOWBMCJJMOR-VXGBXAGGSA-N 1 3 230.421 2.237 20 0 BEADHO C[NH+](C)C1CCC(NCc2cscn2)CC1 ZINC000309970871 384747344 /nfs/dbraw/zinc/74/73/44/384747344.db2.gz PKMIOLVREYZOAD-UHFFFAOYSA-N 1 3 239.388 2.106 20 0 BEADHO C[C@]1(CN2CC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552014 384757924 /nfs/dbraw/zinc/75/79/24/384757924.db2.gz AHNDZPNZLLLZIB-KGLIPLIRSA-N 1 3 222.376 2.108 20 0 BEADHO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCN)C1 ZINC000647552760 384761015 /nfs/dbraw/zinc/76/10/15/384761015.db2.gz VNDBGEMJNTYZRJ-OLZOCXBDSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCCN)C1 ZINC000647552760 384761022 /nfs/dbraw/zinc/76/10/22/384761022.db2.gz VNDBGEMJNTYZRJ-OLZOCXBDSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCNC12CCCC2 ZINC000647554298 384770977 /nfs/dbraw/zinc/77/09/77/384770977.db2.gz WGJANKGXQFXNNP-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423357622 384833634 /nfs/dbraw/zinc/83/36/34/384833634.db2.gz MKSAMRZQZIUTGL-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000398087837 384799695 /nfs/dbraw/zinc/79/96/95/384799695.db2.gz OIXUWNZVIAKZEC-RTXFEEFZSA-N 1 3 210.365 2.425 20 0 BEADHO CN1CC=C(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647199088 384869932 /nfs/dbraw/zinc/86/99/32/384869932.db2.gz MFHJBTVXYLSUMS-UHFFFAOYSA-N 1 3 244.329 2.416 20 0 BEADHO Cc1ccncc1[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423363739 384841429 /nfs/dbraw/zinc/84/14/29/384841429.db2.gz AGXGGRYEJPPPIL-RWMBFGLXSA-N 1 3 233.359 2.311 20 0 BEADHO CC1CC([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000163673676 384843392 /nfs/dbraw/zinc/84/33/92/384843392.db2.gz GYGQGFXCWICIOV-UHFFFAOYSA-N 1 3 245.370 2.439 20 0 BEADHO Cc1ccc(CNCCC2CC[NH+](C)CC2)o1 ZINC000105454817 384867392 /nfs/dbraw/zinc/86/73/92/384867392.db2.gz SNWMOIHZSKXUKZ-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1cc(C)c(C[NH2+]CC(C)(C)N)cc1C ZINC000258878725 384948828 /nfs/dbraw/zinc/94/88/28/384948828.db2.gz PYIVBGZSWNWZNN-UHFFFAOYSA-N 1 3 220.360 2.439 20 0 BEADHO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000518396288 385049069 /nfs/dbraw/zinc/04/90/69/385049069.db2.gz BTNVCBJTQYUILV-NWDGAFQWSA-N 1 3 210.365 2.282 20 0 BEADHO CCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150758767 385054678 /nfs/dbraw/zinc/05/46/78/385054678.db2.gz MXUAUROJKDKHFC-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO CCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150758767 385054684 /nfs/dbraw/zinc/05/46/84/385054684.db2.gz MXUAUROJKDKHFC-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO CCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150758767 385054691 /nfs/dbraw/zinc/05/46/91/385054691.db2.gz MXUAUROJKDKHFC-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404775714 385054896 /nfs/dbraw/zinc/05/48/96/385054896.db2.gz SNKSFQUUZOKWEO-STQMWFEESA-N 1 3 218.344 2.210 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)C(C)(C)OC ZINC000300919368 385061474 /nfs/dbraw/zinc/06/14/74/385061474.db2.gz DSQBICFWPZOPFZ-GFCCVEGCSA-N 1 3 230.396 2.121 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)C(C)(C)OC ZINC000300919368 385061480 /nfs/dbraw/zinc/06/14/80/385061480.db2.gz DSQBICFWPZOPFZ-GFCCVEGCSA-N 1 3 230.396 2.121 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@@H](N)C1(C)C)c1ccccc1 ZINC000404806256 385078304 /nfs/dbraw/zinc/07/83/04/385078304.db2.gz YNXQUBXJMXKOQW-CYZMBNFOSA-N 1 3 218.344 2.463 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000516663569 385151128 /nfs/dbraw/zinc/15/11/28/385151128.db2.gz STKWFTVNBVNGCK-LVQVYYBASA-N 1 3 244.382 2.477 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479295 385151787 /nfs/dbraw/zinc/15/17/87/385151787.db2.gz AVRCXUDKDQWCCJ-RQJABVFESA-N 1 3 222.376 2.106 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479297 385152595 /nfs/dbraw/zinc/15/25/95/385152595.db2.gz AVRCXUDKDQWCCJ-XJFOESAGSA-N 1 3 222.376 2.106 20 0 BEADHO C1CC12C[C@H]2N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424372901 385154950 /nfs/dbraw/zinc/15/49/50/385154950.db2.gz ITYISLYWBVHBDA-REWJHTLYSA-N 1 3 234.387 2.439 20 0 BEADHO Cc1nc(CN[C@@H](C)CCCC[NH3+])cs1 ZINC000308811196 385178570 /nfs/dbraw/zinc/17/85/70/385178570.db2.gz HFVGMXHAVKUIIW-VIFPVBQESA-N 1 3 227.377 2.059 20 0 BEADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccco1 ZINC000308808940 385179197 /nfs/dbraw/zinc/17/91/97/385179197.db2.gz GQDMJWFQDXDXSE-WDEREUQCSA-N 1 3 210.321 2.448 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]C[C@H](C)CN(C)C ZINC000308882095 385236534 /nfs/dbraw/zinc/23/65/34/385236534.db2.gz URAMVUVWISKIBV-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccccc1 ZINC000308981062 385322542 /nfs/dbraw/zinc/32/25/42/385322542.db2.gz KIPJQNJOOSEZJX-YPMHNXCESA-N 1 3 206.333 2.322 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CCCCCF ZINC000308924206 385296493 /nfs/dbraw/zinc/29/64/93/385296493.db2.gz LOJSPZWQFJRIIT-GFCCVEGCSA-N 1 3 218.360 2.431 20 0 BEADHO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000309013153 385368927 /nfs/dbraw/zinc/36/89/27/385368927.db2.gz YDOGSQURYXDPBO-NWDGAFQWSA-N 1 3 206.333 2.240 20 0 BEADHO COC1(CNC2CC[NH+](C(C)C)CC2)CCC1 ZINC000180464229 385391853 /nfs/dbraw/zinc/39/18/53/385391853.db2.gz DFQPDBHMXCQTQS-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CCSCC[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000309061026 385397669 /nfs/dbraw/zinc/39/76/69/385397669.db2.gz WPPWAWBUMMQVFN-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CCSCCN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000309061026 385397672 /nfs/dbraw/zinc/39/76/72/385397672.db2.gz WPPWAWBUMMQVFN-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CC1(C)CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000309371247 385554030 /nfs/dbraw/zinc/55/40/30/385554030.db2.gz BZWVDASKOFNOOB-AAEUAGOBSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309371247 385554035 /nfs/dbraw/zinc/55/40/35/385554035.db2.gz BZWVDASKOFNOOB-AAEUAGOBSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000309371247 385554039 /nfs/dbraw/zinc/55/40/39/385554039.db2.gz BZWVDASKOFNOOB-AAEUAGOBSA-N 1 3 222.376 2.391 20 0 BEADHO Cc1c[nH+]ccc1N[C@@H]1CCCN(C)[C@@H]1C ZINC000309375701 385555862 /nfs/dbraw/zinc/55/58/62/385555862.db2.gz COWGXTJESPAESA-DGCLKSJQSA-N 1 3 219.332 2.285 20 0 BEADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN ZINC000309376649 385558121 /nfs/dbraw/zinc/55/81/21/385558121.db2.gz CTKALDBATMGIKM-RYUDHWBXSA-N 1 3 206.333 2.117 20 0 BEADHO CCSCC[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000309409117 385572880 /nfs/dbraw/zinc/57/28/80/385572880.db2.gz BMKRBKZJGZKVNS-CYBMUJFWSA-N 1 3 244.448 2.451 20 0 BEADHO CCSCCNC[C@@H](C)C[NH+]1CCCCC1 ZINC000309409117 385572884 /nfs/dbraw/zinc/57/28/84/385572884.db2.gz BMKRBKZJGZKVNS-CYBMUJFWSA-N 1 3 244.448 2.451 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccccc1 ZINC000107785200 385584413 /nfs/dbraw/zinc/58/44/13/385584413.db2.gz YPCNYXVGEVQRDO-WCQYABFASA-N 1 3 206.333 2.321 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336677601 385609221 /nfs/dbraw/zinc/60/92/21/385609221.db2.gz HYUQVQFHFTULJT-JHJVBQTASA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC1(C)C ZINC000309568675 385705297 /nfs/dbraw/zinc/70/52/97/385705297.db2.gz MZZWRWWWEZDYFM-DGCLKSJQSA-N 1 3 222.376 2.273 20 0 BEADHO C[C@H](C[NH2+]Cc1ccsc1)CN(C)C ZINC000291800025 385710739 /nfs/dbraw/zinc/71/07/39/385710739.db2.gz XDPKSXRKWDNSHC-SNVBAGLBSA-N 1 3 212.362 2.035 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000414857549 385729461 /nfs/dbraw/zinc/72/94/61/385729461.db2.gz DWJOJOXAGRYJEV-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000336691948 385731521 /nfs/dbraw/zinc/73/15/21/385731521.db2.gz HPPLNZMQDDLCJW-SMDDNHRTSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000488291045 385734645 /nfs/dbraw/zinc/73/46/45/385734645.db2.gz GVRPXNXETTZCDX-MGPQQGTHSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000488291045 385734650 /nfs/dbraw/zinc/73/46/50/385734650.db2.gz GVRPXNXETTZCDX-MGPQQGTHSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000488291045 385734651 /nfs/dbraw/zinc/73/46/51/385734651.db2.gz GVRPXNXETTZCDX-MGPQQGTHSA-N 1 3 222.376 2.060 20 0 BEADHO Cc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414858581 385735904 /nfs/dbraw/zinc/73/59/04/385735904.db2.gz SAVIIHZESYJWGW-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCNC ZINC000414859350 385740501 /nfs/dbraw/zinc/74/05/01/385740501.db2.gz MOIOYRMSZGAQHK-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+]CCCNC ZINC000414859348 385741739 /nfs/dbraw/zinc/74/17/39/385741739.db2.gz MOIOYRMSZGAQHK-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO CNCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414861320 385749893 /nfs/dbraw/zinc/74/98/93/385749893.db2.gz RWOKNLHQRGNTDE-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO CNCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000414861667 385752918 /nfs/dbraw/zinc/75/29/18/385752918.db2.gz SSHMKSQTACKNKQ-OLZOCXBDSA-N 1 3 220.360 2.378 20 0 BEADHO C[NH2+]CCCN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000414861667 385752922 /nfs/dbraw/zinc/75/29/22/385752922.db2.gz SSHMKSQTACKNKQ-OLZOCXBDSA-N 1 3 220.360 2.378 20 0 BEADHO C(C[NH2+][C@@H]1CCNC1)CC1CCCCC1 ZINC000414863489 385759770 /nfs/dbraw/zinc/75/97/70/385759770.db2.gz ASZXZDVFHZRMMM-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO c1ccc([C@@H]2C[C@H]2C[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000414864521 385763199 /nfs/dbraw/zinc/76/31/99/385763199.db2.gz YROFYAIFYRMXCU-KBMXLJTQSA-N 1 3 244.382 2.379 20 0 BEADHO C(CC1CCCCCC1)[NH2+][C@@H]1CCNC1 ZINC000414864122 385766754 /nfs/dbraw/zinc/76/67/54/385766754.db2.gz BIJNTWCBLKLICG-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCCCCF)c2ccccc21 ZINC000336654145 385721275 /nfs/dbraw/zinc/72/12/75/385721275.db2.gz JZQRZLUTXVCBHU-QWHCGFSZSA-N 1 3 222.307 2.471 20 0 BEADHO COc1cc(C[NH2+]C2(C)CCNCC2)ccc1C ZINC000414947256 385802543 /nfs/dbraw/zinc/80/25/43/385802543.db2.gz VYBMXWIYJWMVKO-UHFFFAOYSA-N 1 3 248.370 2.235 20 0 BEADHO C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)CC(F)F ZINC000647800558 385807905 /nfs/dbraw/zinc/80/79/05/385807905.db2.gz FGYWEMBRTHSLFL-GARJFASQSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414948670 385809344 /nfs/dbraw/zinc/80/93/44/385809344.db2.gz MNMLGEDEPBQZFQ-DMDPSCGWSA-N 1 3 210.365 2.295 20 0 BEADHO CCCNCC[NH2+][C@H](C)Cc1ccccc1F ZINC000414868196 385814726 /nfs/dbraw/zinc/81/47/26/385814726.db2.gz JQFQYAIUFKNNDZ-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)CCN1 ZINC000414954542 385829587 /nfs/dbraw/zinc/82/95/87/385829587.db2.gz SQSCZDJTWXXKFS-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1n[nH]cc1[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000647803352 385837373 /nfs/dbraw/zinc/83/73/73/385837373.db2.gz YDHHKRAGVMMRDZ-JTQLQIEISA-N 1 3 244.342 2.028 20 0 BEADHO Cc1oc2ccccc2c1CNC[C@@H](C)C[NH3+] ZINC000414869588 385837549 /nfs/dbraw/zinc/83/75/49/385837549.db2.gz ARADTSKHQNCXDN-JTQLQIEISA-N 1 3 232.327 2.426 20 0 BEADHO C[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000647804279 385840670 /nfs/dbraw/zinc/84/06/70/385840670.db2.gz NHWMKFWSTAXABL-YHQUGGNUSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340469490 385858732 /nfs/dbraw/zinc/85/87/32/385858732.db2.gz KEFWBJLGRACTON-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H](C)[C@]1(C)CCCO1 ZINC000340469490 385858738 /nfs/dbraw/zinc/85/87/38/385858738.db2.gz KEFWBJLGRACTON-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H](C)[C@]1(C)CCCO1 ZINC000340469490 385858743 /nfs/dbraw/zinc/85/87/43/385858743.db2.gz KEFWBJLGRACTON-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](C[NH2+]C/C=C\c1ccccc1)CN(C)C ZINC000336719683 385852758 /nfs/dbraw/zinc/85/27/58/385852758.db2.gz RRHKEBGDNZIGKA-JKEYDSJLSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCCCF)C1 ZINC000336706140 385792934 /nfs/dbraw/zinc/79/29/34/385792934.db2.gz RIDGGTQFTFPFKG-NEPJUHHUSA-N 1 3 216.344 2.185 20 0 BEADHO C1CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000250806168 385928537 /nfs/dbraw/zinc/92/85/37/385928537.db2.gz CNGPJEIAUDUBLH-MGPQQGTHSA-N 1 3 222.376 2.439 20 0 BEADHO CC[NH2+][C@H](C)CNC1C[C@H](C)C[C@@H](C)C1 ZINC000414962899 385886908 /nfs/dbraw/zinc/88/69/08/385886908.db2.gz SUMOAJJIMCUDMP-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000414874960 385891021 /nfs/dbraw/zinc/89/10/21/385891021.db2.gz TZSBUKVGZJMXCY-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[NH+](C)C(C)(C)CNc1nccc2[nH]ccc21 ZINC000647847258 385897171 /nfs/dbraw/zinc/89/71/71/385897171.db2.gz BQNVGPWUUOTFOA-UHFFFAOYSA-N 1 3 232.331 2.315 20 0 BEADHO CCCC[C@@H](CC)NC[C@]1(COC)CCC[NH2+]1 ZINC000414963750 385899199 /nfs/dbraw/zinc/89/91/99/385899199.db2.gz XLAHSFUROAVWMJ-KGLIPLIRSA-N 1 3 242.407 2.313 20 0 BEADHO CCCC[C@H](CC)NC[C@]1(COC)CCC[NH2+]1 ZINC000414963749 385899696 /nfs/dbraw/zinc/89/96/96/385899696.db2.gz XLAHSFUROAVWMJ-KBPBESRZSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414964268 385903532 /nfs/dbraw/zinc/90/35/32/385903532.db2.gz UQGMCOZCQFWLTN-FKZRYSJHSA-N 1 3 248.345 2.427 20 0 BEADHO FC1(F)CC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000334492147 385907946 /nfs/dbraw/zinc/90/79/46/385907946.db2.gz FCEYWOREDMHCNS-NEPJUHHUSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000334492147 385907951 /nfs/dbraw/zinc/90/79/51/385907951.db2.gz FCEYWOREDMHCNS-NEPJUHHUSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000334492147 385907953 /nfs/dbraw/zinc/90/79/53/385907953.db2.gz FCEYWOREDMHCNS-NEPJUHHUSA-N 1 3 244.329 2.248 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc(F)c2cccnc12 ZINC000414876792 385915632 /nfs/dbraw/zinc/91/56/32/385915632.db2.gz DXWKHSYDJYJOOE-JTQLQIEISA-N 1 3 247.317 2.201 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1C1CC1 ZINC000414967620 385929819 /nfs/dbraw/zinc/92/98/19/385929819.db2.gz XWHKVTAUWJPBHA-RAIGVLPGSA-N 1 3 210.365 2.153 20 0 BEADHO COc1ccccc1/C=C\CN[C@@H](C)CC[NH3+] ZINC000414877064 385917374 /nfs/dbraw/zinc/91/73/74/385917374.db2.gz FKRQKCPABNRZCE-HWPRWLFBSA-N 1 3 234.343 2.035 20 0 BEADHO COc1ccccc1/C=C\CN[C@H](C)CC[NH3+] ZINC000414877066 385917512 /nfs/dbraw/zinc/91/75/12/385917512.db2.gz FKRQKCPABNRZCE-SMYYYNMVSA-N 1 3 234.343 2.035 20 0 BEADHO CC1(C)[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]21 ZINC000189047743 385919775 /nfs/dbraw/zinc/91/97/75/385919775.db2.gz LUIMPEVLQAAEMS-OKILXGFUSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C)CCC1 ZINC000335034028 385922934 /nfs/dbraw/zinc/92/29/34/385922934.db2.gz STUAYAFNUJSHHW-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(C)CCC1 ZINC000335034026 385923828 /nfs/dbraw/zinc/92/38/28/385923828.db2.gz STUAYAFNUJSHHW-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000250840165 385927145 /nfs/dbraw/zinc/92/71/45/385927145.db2.gz DUKTYZWRNQUQGG-HRCADAONSA-N 1 3 244.382 2.261 20 0 BEADHO C[C@@H](CN)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414873524 385877870 /nfs/dbraw/zinc/87/78/70/385877870.db2.gz HKPQPRSXGJNWQC-STQMWFEESA-N 1 3 220.360 2.050 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335044247 385938874 /nfs/dbraw/zinc/93/88/74/385938874.db2.gz XWUARBRLFUUIBF-WBMJQRKESA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC1Cc2ccccc2C1 ZINC000335044247 385938877 /nfs/dbraw/zinc/93/88/77/385938877.db2.gz XWUARBRLFUUIBF-WBMJQRKESA-N 1 3 244.382 2.132 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 ZINC000414066981 385941962 /nfs/dbraw/zinc/94/19/62/385941962.db2.gz IMGYRMKSBHITDD-REWJHTLYSA-N 1 3 224.392 2.352 20 0 BEADHO NC1(C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC000335054680 385954238 /nfs/dbraw/zinc/95/42/38/385954238.db2.gz UIHVUYLMZUGXFE-ZDUSSCGKSA-N 1 3 216.328 2.145 20 0 BEADHO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCC1)CC2 ZINC000335054621 385954443 /nfs/dbraw/zinc/95/44/43/385954443.db2.gz RZQUGLCSNQFGBR-AWEZNQCLSA-N 1 3 230.355 2.453 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013875 385970687 /nfs/dbraw/zinc/97/06/87/385970687.db2.gz CTZKBLUISFXPAZ-ZFWWWQNUSA-N 1 3 245.370 2.014 20 0 BEADHO CCC[C@@H](C)C[NH2+][C@@H]1CCNCC1(C)C ZINC000414973973 385999970 /nfs/dbraw/zinc/99/99/70/385999970.db2.gz NGSLSTYQESIHKN-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@H](C)C[NH2+][C@H]1CCNCC1(C)C ZINC000414973972 386000314 /nfs/dbraw/zinc/00/03/14/386000314.db2.gz NGSLSTYQESIHKN-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(Cl)cc1C ZINC000414974080 386004950 /nfs/dbraw/zinc/00/49/50/386004950.db2.gz CXVQQZYATCKZEK-LBPRGKRZSA-N 1 3 226.751 2.475 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cccc(C)c1C ZINC000414974293 386009240 /nfs/dbraw/zinc/00/92/40/386009240.db2.gz DIWNGZFTDVAPMQ-CYBMUJFWSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)NC[C@H]([NH3+])C1CC1 ZINC000414882584 386016627 /nfs/dbraw/zinc/01/66/27/386016627.db2.gz BYFXOBCWTBOLKS-HZMBPMFUSA-N 1 3 236.334 2.084 20 0 BEADHO C[NH2+][C@H]1CCN(c2cc(C)nc3ccccc32)C1 ZINC000129124074 386031849 /nfs/dbraw/zinc/03/18/49/386031849.db2.gz IOAUEYUPBAHNRG-LBPRGKRZSA-N 1 3 241.338 2.341 20 0 BEADHO C[C@@H](CCc1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000414883826 386035401 /nfs/dbraw/zinc/03/54/01/386035401.db2.gz DQDWMGNMBRUZMM-SWLSCSKDSA-N 1 3 232.371 2.335 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000414979221 386042929 /nfs/dbraw/zinc/04/29/29/386042929.db2.gz NEGVPZHXODNVHY-AAOUONPWSA-N 1 3 240.297 2.305 20 0 BEADHO C[C@H](CCN)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000414884847 386049082 /nfs/dbraw/zinc/04/90/82/386049082.db2.gz BKLDOASYPOKCKL-QWHCGFSZSA-N 1 3 220.360 2.192 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000309520703 386051586 /nfs/dbraw/zinc/05/15/86/386051586.db2.gz UBCXZFNSVIPCGJ-LSUUEXMVSA-N 1 3 222.376 2.425 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414985231 386103942 /nfs/dbraw/zinc/10/39/42/386103942.db2.gz WBTWUESAQVSTBS-NSHDSACASA-N 1 3 247.317 2.201 20 0 BEADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414665691 386115177 /nfs/dbraw/zinc/11/51/77/386115177.db2.gz FMDIOSRBXSCSQL-BPUTZDHNSA-N 1 3 244.382 2.331 20 0 BEADHO CCc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414889956 386119494 /nfs/dbraw/zinc/11/94/94/386119494.db2.gz GVPOCCWZUBOCKM-AWEZNQCLSA-N 1 3 218.344 2.076 20 0 BEADHO CC[C@H]1CC[C@H]1[NH2+]CCCN(C)C(C)C ZINC000336771829 386061997 /nfs/dbraw/zinc/06/19/97/386061997.db2.gz WZUVBHZLWLONQL-QWHCGFSZSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000414982124 386062693 /nfs/dbraw/zinc/06/26/93/386062693.db2.gz RLBPOAWFLJGYRA-CYBMUJFWSA-N 1 3 220.360 2.439 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000414981757 386068644 /nfs/dbraw/zinc/06/86/44/386068644.db2.gz BZWJZLZCDYPPHL-AWEZNQCLSA-N 1 3 243.354 2.370 20 0 BEADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000414886743 386078047 /nfs/dbraw/zinc/07/80/47/386078047.db2.gz QKVRXHYFZWJNQZ-ARFHVFGLSA-N 1 3 244.382 2.349 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccsc1 ZINC000414984340 386092082 /nfs/dbraw/zinc/09/20/82/386092082.db2.gz GDMCCDZGPRUZDM-ZYHUDNBSSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000414887746 386095752 /nfs/dbraw/zinc/09/57/52/386095752.db2.gz ZJPKECVKKXZPOP-QWRGUYRKSA-N 1 3 240.778 2.455 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000340260983 386147411 /nfs/dbraw/zinc/14/74/11/386147411.db2.gz UDZNQAUVUAVVIO-RWMBFGLXSA-N 1 3 242.407 2.262 20 0 BEADHO COC(C)(C)[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000340260983 386147416 /nfs/dbraw/zinc/14/74/16/386147416.db2.gz UDZNQAUVUAVVIO-RWMBFGLXSA-N 1 3 242.407 2.262 20 0 BEADHO NCCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000414673759 386147651 /nfs/dbraw/zinc/14/76/51/386147651.db2.gz JUHVZDZUKZOVCK-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO NCCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000414673759 386147654 /nfs/dbraw/zinc/14/76/54/386147654.db2.gz JUHVZDZUKZOVCK-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccccc1 ZINC000414991459 386154112 /nfs/dbraw/zinc/15/41/12/386154112.db2.gz QEOSIJQXMGQFDR-JSGCOSHPSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccccc1 ZINC000414991460 386154293 /nfs/dbraw/zinc/15/42/93/386154293.db2.gz QEOSIJQXMGQFDR-OCCSQVGLSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@H]([NH3+])CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414994657 386172138 /nfs/dbraw/zinc/17/21/38/386172138.db2.gz VCFXFHDMQJUKFA-IHRRRGAJSA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H](CC[NH3+])NC/C=C/c1ccccc1 ZINC000414890639 386131948 /nfs/dbraw/zinc/13/19/48/386131948.db2.gz UKQGSOOBOCNTCU-ZCRIDZFUSA-N 1 3 204.317 2.027 20 0 BEADHO NCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000414670292 386133976 /nfs/dbraw/zinc/13/39/76/386133976.db2.gz CWBUKZCFOABMBB-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000414670292 386133982 /nfs/dbraw/zinc/13/39/82/386133982.db2.gz CWBUKZCFOABMBB-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccc(F)cc1 ZINC000414989589 386143451 /nfs/dbraw/zinc/14/34/51/386143451.db2.gz NPDVICNPWDXLBD-FZMZJTMJSA-N 1 3 238.350 2.474 20 0 BEADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN)C1(CC)CC ZINC000414704071 386215973 /nfs/dbraw/zinc/21/59/73/386215973.db2.gz JEXHXUNDIIFAGS-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN)C1(CC)CC ZINC000414704071 386215978 /nfs/dbraw/zinc/21/59/78/386215978.db2.gz JEXHXUNDIIFAGS-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCN ZINC000414707057 386216139 /nfs/dbraw/zinc/21/61/39/386216139.db2.gz NJOIFMFQZSCKFU-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCN ZINC000414707057 386216141 /nfs/dbraw/zinc/21/61/41/386216141.db2.gz NJOIFMFQZSCKFU-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1[C@H](c2ccccc2)CCN1CCC[NH3+] ZINC000414707057 386216143 /nfs/dbraw/zinc/21/61/43/386216143.db2.gz NJOIFMFQZSCKFU-TZMCWYRMSA-N 1 3 218.344 2.213 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000132015808 386218891 /nfs/dbraw/zinc/21/88/91/386218891.db2.gz PENMQFUCTYRLGJ-DOMZBBRYSA-N 1 3 230.355 2.263 20 0 BEADHO CC[C@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000347028711 386221283 /nfs/dbraw/zinc/22/12/83/386221283.db2.gz VWDBSXWWFHBUOT-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@H](C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000347028711 386221287 /nfs/dbraw/zinc/22/12/87/386221287.db2.gz VWDBSXWWFHBUOT-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO CC[C@H](CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000347028711 386221289 /nfs/dbraw/zinc/22/12/89/386221289.db2.gz VWDBSXWWFHBUOT-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC000090339617 386237634 /nfs/dbraw/zinc/23/76/34/386237634.db2.gz XDUZUVNRQVBGMJ-LLVKDONJSA-N 1 3 234.343 2.098 20 0 BEADHO Cc1ccccc1[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647883910 386246214 /nfs/dbraw/zinc/24/62/14/386246214.db2.gz JQPHPGOPQQYECN-CABCVRRESA-N 1 3 244.382 2.394 20 0 BEADHO Cc1ccccc1[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647883912 386246284 /nfs/dbraw/zinc/24/62/84/386246284.db2.gz JQPHPGOPQQYECN-HUUCEWRRSA-N 1 3 244.382 2.394 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1C[C@@H](OCC)C1(C)C ZINC000414693092 386192721 /nfs/dbraw/zinc/19/27/21/386192721.db2.gz DLNHAMLHEMFOJN-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1C[C@@H](OCC)C1(C)C ZINC000414693092 386192728 /nfs/dbraw/zinc/19/27/28/386192728.db2.gz DLNHAMLHEMFOJN-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO CCCN(CCC[NH3+])[C@H]1C[C@@H](OCC)C1(C)C ZINC000414693092 386192734 /nfs/dbraw/zinc/19/27/34/386192734.db2.gz DLNHAMLHEMFOJN-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO CCCCO[C@H]1C[C@H]([N@H+](C)CCCN)C1(C)C ZINC000414696044 386195673 /nfs/dbraw/zinc/19/56/73/386195673.db2.gz AULASGGQKUCTAW-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO CCCCO[C@H]1C[C@H]([N@@H+](C)CCCN)C1(C)C ZINC000414696044 386195677 /nfs/dbraw/zinc/19/56/77/386195677.db2.gz AULASGGQKUCTAW-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO COCC1(C[NH2+]CCCN(C)C(C)C)CCC1 ZINC000310535689 386195809 /nfs/dbraw/zinc/19/58/09/386195809.db2.gz RDFQQUAPUWSGIO-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ccc(C[C@@H](C)N(C)C[C@H]2CC[NH2+]C2)cc1 ZINC000647886092 386294186 /nfs/dbraw/zinc/29/41/86/386294186.db2.gz PZSZCUFLZUATQV-ZBFHGGJFSA-N 1 3 246.398 2.467 20 0 BEADHO C[C@@H]1C[C@H](c2ccccc2)CN1C[C@H]1CC[NH2+]C1 ZINC000647885885 386297119 /nfs/dbraw/zinc/29/71/19/386297119.db2.gz DRFTWKROMNKOCK-YCPHGPKFSA-N 1 3 244.382 2.474 20 0 BEADHO Cc1ccncc1CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414738289 386316287 /nfs/dbraw/zinc/31/62/87/386316287.db2.gz JAWYYYCAMWOYLV-KBPBESRZSA-N 1 3 247.386 2.210 20 0 BEADHO CC(C)CCC[NH2+]C[C@]1(C)CCCNC1 ZINC000414905081 386351851 /nfs/dbraw/zinc/35/18/51/386351851.db2.gz LDMIPIYPHBPNHK-ZDUSSCGKSA-N 1 3 212.381 2.402 20 0 BEADHO CC(C)CCC[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905080 386351958 /nfs/dbraw/zinc/35/19/58/386351958.db2.gz LDMIPIYPHBPNHK-CYBMUJFWSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@]1(c2ccccc2)CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890171 386366645 /nfs/dbraw/zinc/36/66/45/386366645.db2.gz WSOIPYCXMNFCPP-GOEBONIOSA-N 1 3 244.382 2.260 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000336696119 386373977 /nfs/dbraw/zinc/37/39/77/386373977.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336696119 386373985 /nfs/dbraw/zinc/37/39/85/386373985.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336696119 386373988 /nfs/dbraw/zinc/37/39/88/386373988.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336696119 386373993 /nfs/dbraw/zinc/37/39/93/386373993.db2.gz IHIWISKNEILLDL-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CCc1cccc(F)c1 ZINC000415006384 386325821 /nfs/dbraw/zinc/32/58/21/386325821.db2.gz BIRQPBREOHWHCB-IJLUTSLNSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@H]1C ZINC000336776736 386398975 /nfs/dbraw/zinc/39/89/75/386398975.db2.gz GMLPXUPROGSJBO-ITGHMWBKSA-N 1 3 224.392 2.493 20 0 BEADHO CCOC1CC([N@H+](C)CCCN(CC)CC)C1 ZINC000347443672 386406509 /nfs/dbraw/zinc/40/65/09/386406509.db2.gz GBVRFDCYVJMZRD-UHFFFAOYSA-N 1 3 242.407 2.218 20 0 BEADHO CCOC1CC([N@@H+](C)CCCN(CC)CC)C1 ZINC000347443672 386406516 /nfs/dbraw/zinc/40/65/16/386406516.db2.gz GBVRFDCYVJMZRD-UHFFFAOYSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@@H](N)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664171 386413229 /nfs/dbraw/zinc/41/32/29/386413229.db2.gz LRWSUEPIAQFOKD-IUODEOHRSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@@H](N)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664171 386413232 /nfs/dbraw/zinc/41/32/32/386413232.db2.gz LRWSUEPIAQFOKD-IUODEOHRSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000093496302 386415557 /nfs/dbraw/zinc/41/55/57/386415557.db2.gz BOFCXGWBJPMSTJ-MCIONIFRSA-N 1 3 240.391 2.066 20 0 BEADHO CCSCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434377 386425299 /nfs/dbraw/zinc/42/52/99/386425299.db2.gz JYSWUILMXVVVOE-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CCSCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434377 386425306 /nfs/dbraw/zinc/42/53/06/386425306.db2.gz JYSWUILMXVVVOE-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CC[C@@H]1CN(CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000647934482 386479465 /nfs/dbraw/zinc/47/94/65/386479465.db2.gz GXQUJUQYYXROGD-CABCVRRESA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccccc1)CN(C)C1CC([NH3+])C1 ZINC000414778489 386488000 /nfs/dbraw/zinc/48/80/00/386488000.db2.gz QEMYLKRHUDLFRZ-LRVUVFPRSA-N 1 3 232.371 2.287 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CCc1ccsc1 ZINC000415013200 386495326 /nfs/dbraw/zinc/49/53/26/386495326.db2.gz KNZHREREWXJIOY-MXWKQRLJSA-N 1 3 226.389 2.395 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000415013469 386495459 /nfs/dbraw/zinc/49/54/59/386495459.db2.gz VCXFROPIGGKYQN-NEPJUHHUSA-N 1 3 236.359 2.299 20 0 BEADHO CC(C)CCC[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000165030623 386496170 /nfs/dbraw/zinc/49/61/70/386496170.db2.gz AVYBVBKYXPLCCL-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CCC[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000165030623 386496175 /nfs/dbraw/zinc/49/61/75/386496175.db2.gz AVYBVBKYXPLCCL-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1Cl ZINC000415014963 386501130 /nfs/dbraw/zinc/50/11/30/386501130.db2.gz MOGCKIWEQVUINL-NXEZZACHSA-N 1 3 226.751 2.474 20 0 BEADHO CCC(CC)(CC)CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021105 386511671 /nfs/dbraw/zinc/51/16/71/386511671.db2.gz BOBVMPUXKGSRGD-GDNZZTSVSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@H](C)N ZINC000415022558 386512444 /nfs/dbraw/zinc/51/24/44/386512444.db2.gz VLXACXXRLZXCMW-UWVGGRQHSA-N 1 3 226.751 2.474 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000519643952 386516150 /nfs/dbraw/zinc/51/61/50/386516150.db2.gz WHVUNHNLEUTACD-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]1CCCC[C@@H]1CN(C)C1CC([NH3+])C1 ZINC000394819240 386530188 /nfs/dbraw/zinc/53/01/88/386530188.db2.gz FYPMAOMDMMEZSV-ZFDZMSFRSA-N 1 3 210.365 2.234 20 0 BEADHO CC1(C)CCC(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415039226 386526658 /nfs/dbraw/zinc/52/66/58/386526658.db2.gz OVQJJMVPOGRLBL-ITGUQSILSA-N 1 3 222.376 2.010 20 0 BEADHO Cc1ccc([C@H](C)NC[C@@H](C)C[NH3+])s1 ZINC000308604109 386575829 /nfs/dbraw/zinc/57/58/29/386575829.db2.gz GKCUCTZWOLDXQK-WPRPVWTQSA-N 1 3 212.362 2.302 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@H]1CCCNC1 ZINC000415081647 386590613 /nfs/dbraw/zinc/59/06/13/386590613.db2.gz NBSFGMNTRZANOQ-DZGCQCFKSA-N 1 3 244.382 2.306 20 0 BEADHO CCCC[N@@H+]1C[C@@H](CN)[C@@H](c2ccccc2)C1 ZINC000337043374 386592853 /nfs/dbraw/zinc/59/28/53/386592853.db2.gz CVEFKETZJLARFP-HUUCEWRRSA-N 1 3 232.371 2.461 20 0 BEADHO CCCC[N@H+]1C[C@@H](CN)[C@@H](c2ccccc2)C1 ZINC000337043374 386592857 /nfs/dbraw/zinc/59/28/57/386592857.db2.gz CVEFKETZJLARFP-HUUCEWRRSA-N 1 3 232.371 2.461 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000415045504 386531504 /nfs/dbraw/zinc/53/15/04/386531504.db2.gz UDKVTEREIJTVBJ-SFYZADRCSA-N 1 3 245.779 2.014 20 0 BEADHO CSc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000414788361 386533395 /nfs/dbraw/zinc/53/33/95/386533395.db2.gz DLFMQIRXHGMJJA-CYBMUJFWSA-N 1 3 238.400 2.481 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCCCC2)C1CNC1 ZINC000335462703 386544635 /nfs/dbraw/zinc/54/46/35/386544635.db2.gz UAGMGMZKFOJCBD-CYBMUJFWSA-N 1 3 222.376 2.298 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414791611 386548735 /nfs/dbraw/zinc/54/87/35/386548735.db2.gz BPJPLTVQZCNKAW-HZSPNIEDSA-N 1 3 242.407 2.155 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H]2CCCCNC2)cn1 ZINC000415068425 386552071 /nfs/dbraw/zinc/55/20/71/386552071.db2.gz DYISRMXHEAFVGM-OAHLLOKOSA-N 1 3 247.386 2.054 20 0 BEADHO CC(C)[C@H](N)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414795164 386572129 /nfs/dbraw/zinc/57/21/29/386572129.db2.gz MTFPKWWSNLQCST-VQTKUKTRSA-N 1 3 236.334 2.412 20 0 BEADHO COCc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414795563 386573036 /nfs/dbraw/zinc/57/30/36/386573036.db2.gz MYOITAUEVJOTMQ-LSDHHAIUSA-N 1 3 248.370 2.050 20 0 BEADHO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN ZINC000415113141 386622020 /nfs/dbraw/zinc/62/20/20/386622020.db2.gz SMWJNVYDPZNWPQ-AWEZNQCLSA-N 1 3 238.350 2.331 20 0 BEADHO CCN(C[C@@]1(C)CC[NH2+]C1)C1CC(C)(C)C1 ZINC000415122794 386627177 /nfs/dbraw/zinc/62/71/77/386627177.db2.gz LXMXBHBWZCVSPK-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO COC1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000414805363 386611692 /nfs/dbraw/zinc/61/16/92/386611692.db2.gz POZSNNNWDOPWOB-ABXWRUBCSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)([NH3+])CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000415108053 386617206 /nfs/dbraw/zinc/61/72/06/386617206.db2.gz ONZJMJUVTPYVLH-VXGBXAGGSA-N 1 3 210.365 2.282 20 0 BEADHO CCc1cccc(CNCCC[NH+]2CCC2)c1 ZINC000520428553 386672333 /nfs/dbraw/zinc/67/23/33/386672333.db2.gz XZKJGJZXZSXJSO-UHFFFAOYSA-N 1 3 232.371 2.434 20 0 BEADHO CN(C)c1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414927722 386709837 /nfs/dbraw/zinc/70/98/37/386709837.db2.gz PGOGHSIOPQRAEY-UONOGXRCSA-N 1 3 247.386 2.112 20 0 BEADHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)Cc1ccccc1 ZINC000414831009 386711214 /nfs/dbraw/zinc/71/12/14/386711214.db2.gz PBRBLCAFMCIHOU-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO CNCCC[N@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000394834717 386691721 /nfs/dbraw/zinc/69/17/21/386691721.db2.gz QDKDOBKEPNTEEC-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000394834717 386691734 /nfs/dbraw/zinc/69/17/34/386691734.db2.gz QDKDOBKEPNTEEC-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCCC[C@@H]1C ZINC000394834717 386691740 /nfs/dbraw/zinc/69/17/40/386691740.db2.gz QDKDOBKEPNTEEC-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000414833681 386712522 /nfs/dbraw/zinc/71/25/22/386712522.db2.gz GQACPMYDYDOSFD-AVGNSLFASA-N 1 3 212.381 2.256 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+]CC[C@H](C)N ZINC000414828146 386698476 /nfs/dbraw/zinc/69/84/76/386698476.db2.gz ZAYZKKFPVBQLQX-DTWKUNHWSA-N 1 3 226.286 2.434 20 0 BEADHO C[NH2+]CCNC[C@@H](C)CCc1ccccc1 ZINC000414836822 386730645 /nfs/dbraw/zinc/73/06/45/386730645.db2.gz WLQXXSOTXFBUNL-ZDUSSCGKSA-N 1 3 220.360 2.064 20 0 BEADHO COC[C@H](CC(C)C)N[C@@H](C[NH3+])CC(C)C ZINC000414836710 386731918 /nfs/dbraw/zinc/73/19/18/386731918.db2.gz IXIFYKWKYDTXIB-OLZOCXBDSA-N 1 3 230.396 2.011 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000414833669 386713081 /nfs/dbraw/zinc/71/30/81/386713081.db2.gz STFKRFKASILRDU-UPJWGTAASA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335484928 386714170 /nfs/dbraw/zinc/71/41/70/386714170.db2.gz XKJHVEIRZDOSIG-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000414832175 386716115 /nfs/dbraw/zinc/71/61/15/386716115.db2.gz FAFCOMXZRHJONC-CYZMBNFOSA-N 1 3 210.365 2.010 20 0 BEADHO CC[NH2+]CCN[C@H](CC)C[C@H](C)CC ZINC000414835566 386728323 /nfs/dbraw/zinc/72/83/23/386728323.db2.gz VDOKHXVVPRGKOV-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+]C1(C)CCNCC1 ZINC000414930015 386746835 /nfs/dbraw/zinc/74/68/35/386746835.db2.gz AJVUBRICUWSKKP-GFCCVEGCSA-N 1 3 212.381 2.400 20 0 BEADHO CCCC[C@H](CC)[NH2+]C[C@@H](C)CNC ZINC000414840839 386751003 /nfs/dbraw/zinc/75/10/03/386751003.db2.gz NPPCPPDOCSEUPT-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCCN1 ZINC000414843661 386762947 /nfs/dbraw/zinc/76/29/47/386762947.db2.gz JZQFGBOYUCBCHD-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CO[C@H](C)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000336665800 386772955 /nfs/dbraw/zinc/77/29/55/386772955.db2.gz ZDDODYITPHTZJY-MGPQQGTHSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)CN(C)C ZINC000336668029 386786521 /nfs/dbraw/zinc/78/65/21/386786521.db2.gz DZHODBGSMGUHAD-JHJVBQTASA-N 1 3 212.381 2.352 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417959254 386824385 /nfs/dbraw/zinc/82/43/85/386824385.db2.gz LPGYIAOLQDSPCB-FRRDWIJNSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2COC(C)(C)C2)C1 ZINC000417959254 386824390 /nfs/dbraw/zinc/82/43/90/386824390.db2.gz LPGYIAOLQDSPCB-FRRDWIJNSA-N 1 3 240.391 2.016 20 0 BEADHO CCC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414847538 386837854 /nfs/dbraw/zinc/83/78/54/386837854.db2.gz FSWLXOVYRCLVTL-AVGNSLFASA-N 1 3 212.381 2.400 20 0 BEADHO CCOC[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000357847509 386853684 /nfs/dbraw/zinc/85/36/84/386853684.db2.gz JGHAFTKPPDQHQY-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357847509 386853689 /nfs/dbraw/zinc/85/36/89/386853689.db2.gz JGHAFTKPPDQHQY-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO [NH3+]CC1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000334844936 386892652 /nfs/dbraw/zinc/89/26/52/386892652.db2.gz WRDQUPVLWQBDQW-ORHYLEIMSA-N 1 3 246.354 2.227 20 0 BEADHO CC(C)c1ccc(CCN[C@@H](C)C[NH3+])cc1 ZINC000414940652 386871498 /nfs/dbraw/zinc/87/14/98/386871498.db2.gz HPZRDDCWYAITTH-LBPRGKRZSA-N 1 3 220.360 2.289 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000324313612 386872067 /nfs/dbraw/zinc/87/20/67/386872067.db2.gz NASPJRMKEDEWDP-AGIUHOORSA-N 1 3 210.365 2.282 20 0 BEADHO c1ccc2c(c1)CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000051919695 386873700 /nfs/dbraw/zinc/87/37/00/386873700.db2.gz ZTXGFQSVHMHZPL-ZDUSSCGKSA-N 1 3 230.355 2.392 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(C)C)CCN1 ZINC000414939939 386875557 /nfs/dbraw/zinc/87/55/57/386875557.db2.gz BKUGRDWJBHIVLM-WOPDTQHZSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCSCC1 ZINC000334862348 386914846 /nfs/dbraw/zinc/91/48/46/386914846.db2.gz KJKBXRRTKRIDNV-GFCCVEGCSA-N 1 3 242.432 2.250 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000334847484 386896016 /nfs/dbraw/zinc/89/60/16/386896016.db2.gz USNAYYCZUGVFIF-OLZOCXBDSA-N 1 3 236.334 2.494 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCNC[C@@H]2C)c1C ZINC000334857192 386909304 /nfs/dbraw/zinc/90/93/04/386909304.db2.gz LSGQOHCCGOXRKC-SWLSCSKDSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@@H]2C)cc1C ZINC000334857333 386909328 /nfs/dbraw/zinc/90/93/28/386909328.db2.gz NEPOYLPQYAEHLU-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO CC(C)(C)C[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332018334 386942749 /nfs/dbraw/zinc/94/27/49/386942749.db2.gz QNTCPCDHUQXRPN-AVGNSLFASA-N 1 3 242.407 2.033 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(CCCCCF)C1 ZINC000341876315 386981002 /nfs/dbraw/zinc/98/10/02/386981002.db2.gz NEJBQHYJPWCKHJ-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO [NH3+]C1(CN[C@@H]2CCCSC2)CCCCC1 ZINC000334820582 386949275 /nfs/dbraw/zinc/94/92/75/386949275.db2.gz ZVOPSKOWWGBNKC-LLVKDONJSA-N 1 3 228.405 2.133 20 0 BEADHO CC(C)[C@@](C)([NH2+]CC[C@H]1CCCN1C)C(N)=O ZINC000331344257 387017035 /nfs/dbraw/zinc/01/70/35/387017035.db2.gz LECTZHWCMOOBFF-DGCLKSJQSA-N 1 3 241.379 2.010 20 0 BEADHO COCc1cccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216074618 387028137 /nfs/dbraw/zinc/02/81/37/387028137.db2.gz VZZIDNWGCVDTRL-SWLSCSKDSA-N 1 3 248.370 2.002 20 0 BEADHO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN ZINC000423299832 387130532 /nfs/dbraw/zinc/13/05/32/387130532.db2.gz CEAXQGRRBNURJR-SRVKXCTJSA-N 1 3 200.370 2.386 20 0 BEADHO CC[C@H](NCC1CC[NH2+]CC1)c1nccs1 ZINC000070733280 387089961 /nfs/dbraw/zinc/08/99/61/387089961.db2.gz GHOOLVLXEBFWMH-NSHDSACASA-N 1 3 239.388 2.183 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335004053 387098175 /nfs/dbraw/zinc/09/81/75/387098175.db2.gz AIELBXVYDMTZMQ-YYJSSNLHSA-N 1 3 246.345 2.398 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000335006091 387099912 /nfs/dbraw/zinc/09/99/12/387099912.db2.gz ANDKQAQMGQQJLG-UWVGGRQHSA-N 1 3 218.291 2.034 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1=CCCCC1 ZINC000335004788 387099957 /nfs/dbraw/zinc/09/99/57/387099957.db2.gz GAXYEUKHVRWNLV-JSGCOSHPSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000335004788 387099962 /nfs/dbraw/zinc/09/99/62/387099962.db2.gz GAXYEUKHVRWNLV-JSGCOSHPSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCN1 ZINC000335010070 387105249 /nfs/dbraw/zinc/10/52/49/387105249.db2.gz MSPACGURZKSVRC-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO C1CC2(CCCC2)[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000335011863 387106025 /nfs/dbraw/zinc/10/60/25/387106025.db2.gz VXMTVMDPVLDCJX-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@H]2CCCCC[C@H]2N)cn1 ZINC000335028893 387123056 /nfs/dbraw/zinc/12/30/56/387123056.db2.gz ZSNJXHFXILSWEH-CABCVRRESA-N 1 3 247.386 2.448 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@@H]2CCCCC[C@@H]2N)cn1 ZINC000335028903 387123219 /nfs/dbraw/zinc/12/32/19/387123219.db2.gz ZSNJXHFXILSWEH-LSDHHAIUSA-N 1 3 247.386 2.448 20 0 BEADHO Cc1cc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc(C)n1 ZINC000335029637 387125503 /nfs/dbraw/zinc/12/55/03/387125503.db2.gz OCYOWHVWMSYHOB-GJZGRUSLSA-N 1 3 247.386 2.448 20 0 BEADHO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)CN ZINC000423299155 387129398 /nfs/dbraw/zinc/12/93/98/387129398.db2.gz PLIHWRKUJQIUIS-GRYCIOLGSA-N 1 3 200.370 2.386 20 0 BEADHO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1CNC1 ZINC000423305816 387141777 /nfs/dbraw/zinc/14/17/77/387141777.db2.gz RSEMBBVLXUFDED-UONOGXRCSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423306524 387141830 /nfs/dbraw/zinc/14/18/30/387141830.db2.gz LPOXTYKBUAQDIM-UWVGGRQHSA-N 1 3 234.334 2.385 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[NH2+]CC1CNC1 ZINC000423308680 387143452 /nfs/dbraw/zinc/14/34/52/387143452.db2.gz YDCDDXAQBBPCFL-HNNXBMFYSA-N 1 3 232.371 2.207 20 0 BEADHO CCC[C@@H](Cc1ccccc1)NCC1C[NH2+]C1 ZINC000423308680 387143459 /nfs/dbraw/zinc/14/34/59/387143459.db2.gz YDCDDXAQBBPCFL-HNNXBMFYSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)s1 ZINC000423325055 387144183 /nfs/dbraw/zinc/14/41/83/387144183.db2.gz PWNOGFSSEKWNFV-KOLCDFICSA-N 1 3 224.373 2.444 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1CNC1 ZINC000423308750 387144400 /nfs/dbraw/zinc/14/44/00/387144400.db2.gz YGFAEYZJSZHEQQ-VXGBXAGGSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)s1 ZINC000423325057 387144502 /nfs/dbraw/zinc/14/45/02/387144502.db2.gz PWNOGFSSEKWNFV-ONGXEEELSA-N 1 3 224.373 2.444 20 0 BEADHO c1ccc(C[C@H]2CC[C@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423309368 387145530 /nfs/dbraw/zinc/14/55/30/387145530.db2.gz ZGSLSMGJNNFNQA-ZBFHGGJFSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@H](F)CC[N@H+](C)CCCN1CCCC1 ZINC000352393913 387145595 /nfs/dbraw/zinc/14/55/95/387145595.db2.gz DXMQZHOUTHWDRE-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO C[C@H](F)CC[N@@H+](C)CCCN1CCCC1 ZINC000352393913 387145597 /nfs/dbraw/zinc/14/55/97/387145597.db2.gz DXMQZHOUTHWDRE-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO CCC[NH2+]CCN[C@H]1[C@H](C)CCC[C@@H]1C ZINC000423309796 387145828 /nfs/dbraw/zinc/14/58/28/387145828.db2.gz MALGUOLHTATNCJ-ITGUQSILSA-N 1 3 212.381 2.400 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)c(C)c1 ZINC000423310393 387147067 /nfs/dbraw/zinc/14/70/67/387147067.db2.gz AGBDJPXRLJLEQB-NHYWBVRUSA-N 1 3 248.370 2.392 20 0 BEADHO CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423310718 387148087 /nfs/dbraw/zinc/14/80/87/387148087.db2.gz AVTWDKSCEOZMIZ-GXTWGEPZSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423311485 387149095 /nfs/dbraw/zinc/14/90/95/387149095.db2.gz UBELJDWFSNBGFQ-FRRDWIJNSA-N 1 3 242.407 2.011 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423311245 387149684 /nfs/dbraw/zinc/14/96/84/387149684.db2.gz BJRMSADHVBMIRR-IINYFYTJSA-N 1 3 234.343 2.083 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423312837 387151054 /nfs/dbraw/zinc/15/10/54/387151054.db2.gz DUQKZPYQMLQLAQ-FZMZJTMJSA-N 1 3 218.344 2.383 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000423313245 387151129 /nfs/dbraw/zinc/15/11/29/387151129.db2.gz WQSYEGOIFPEXQV-NWDGAFQWSA-N 1 3 210.365 2.284 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN)C1 ZINC000423312959 387152245 /nfs/dbraw/zinc/15/22/45/387152245.db2.gz VVKCYCSMMMYRQB-UPJWGTAASA-N 1 3 212.381 2.386 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423314449 387154623 /nfs/dbraw/zinc/15/46/23/387154623.db2.gz HHEYXHDDOAXAHW-NHYWBVRUSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1 ZINC000423323223 387165860 /nfs/dbraw/zinc/16/58/60/387165860.db2.gz OQXXLLWYNYAUGU-GWCFXTLKSA-N 1 3 204.317 2.075 20 0 BEADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(OC)c1 ZINC000423321673 387166193 /nfs/dbraw/zinc/16/61/93/387166193.db2.gz NKKLTVFQNFBEHP-GJZGRUSLSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)[C@@H]1CCCC[C@H]1C ZINC000423334544 387180588 /nfs/dbraw/zinc/18/05/88/387180588.db2.gz WREWZSXIFUHTGE-NQBHXWOUSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1(C)CC1 ZINC000423334782 387180603 /nfs/dbraw/zinc/18/06/03/387180603.db2.gz RFEFLVCQOOUMRW-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000423334072 387180700 /nfs/dbraw/zinc/18/07/00/387180700.db2.gz FMTPVXDUSLKFLQ-NSHDSACASA-N 1 3 234.318 2.396 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1CNC1 ZINC000423339205 387188385 /nfs/dbraw/zinc/18/83/85/387188385.db2.gz ZIZDSPBOUYEDGA-UHTWSYAYSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccccc1F ZINC000423338630 387188959 /nfs/dbraw/zinc/18/89/59/387188959.db2.gz IEBHAVUSJLYHHO-LLVKDONJSA-N 1 3 234.318 2.396 20 0 BEADHO [NH3+]CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000423340525 387190748 /nfs/dbraw/zinc/19/07/48/387190748.db2.gz XIHFLNPLJVRZQH-LBPRGKRZSA-N 1 3 240.297 2.281 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)CN ZINC000423299910 387132709 /nfs/dbraw/zinc/13/27/09/387132709.db2.gz CQHQTWTXEIYSNU-RVMXOQNASA-N 1 3 212.381 2.386 20 0 BEADHO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423300744 387133280 /nfs/dbraw/zinc/13/32/80/387133280.db2.gz FGMLCSBYASDAIJ-LSDHHAIUSA-N 1 3 248.345 2.271 20 0 BEADHO Fc1ccc([C@@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423300744 387133283 /nfs/dbraw/zinc/13/32/83/387133283.db2.gz FGMLCSBYASDAIJ-LSDHHAIUSA-N 1 3 248.345 2.271 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+]CC2CNC2)cc1 ZINC000423300522 387133370 /nfs/dbraw/zinc/13/33/70/387133370.db2.gz FCRWLODICAMIKR-ZDUSSCGKSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1ccc(CC[C@H](C)NCC2C[NH2+]C2)cc1 ZINC000423300522 387133373 /nfs/dbraw/zinc/13/33/73/387133373.db2.gz FCRWLODICAMIKR-ZDUSSCGKSA-N 1 3 232.371 2.125 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+]CC2CNC2)C[C@@H]1C ZINC000423302463 387135038 /nfs/dbraw/zinc/13/50/38/387135038.db2.gz JPFFPZAIMOHQJT-UBHSHLNASA-N 1 3 224.392 2.256 20 0 BEADHO CCC[NH2+]CCN[C@@H]1C[C@H](C)CC[C@H]1C ZINC000423305458 387139115 /nfs/dbraw/zinc/13/91/15/387139115.db2.gz BZYUVRFELLVELG-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)CN)C1CCC(F)(F)CC1 ZINC000423306525 387141003 /nfs/dbraw/zinc/14/10/03/387141003.db2.gz LPOXTYKBUAQDIM-VHSXEESVSA-N 1 3 234.334 2.385 20 0 BEADHO CC(C)C1CC(NCC[C@H]2CCC[NH2+]2)C1 ZINC000423353261 387204966 /nfs/dbraw/zinc/20/49/66/387204966.db2.gz BHJIRHIQYPUIBG-OTTFEQOBSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CC(CC(C)C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423425726 387252586 /nfs/dbraw/zinc/25/25/86/387252586.db2.gz GZSBYAQDERGZSS-WDNDVIMCSA-N 1 3 224.392 2.255 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCc2cc(N)ccc21 ZINC000423354981 387205926 /nfs/dbraw/zinc/20/59/26/387205926.db2.gz DLIFMHKVIOBPOC-RWSFTLGLSA-N 1 3 247.386 2.362 20 0 BEADHO CC(C)(C)[C@@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423425409 387252697 /nfs/dbraw/zinc/25/26/97/387252697.db2.gz GPLWNLAUGGPWKU-ITGHMWBKSA-N 1 3 236.403 2.399 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[C@@H]1C1CCC1 ZINC000423359292 387210874 /nfs/dbraw/zinc/21/08/74/387210874.db2.gz ORXZETKZCJRJTQ-MGPQQGTHSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000423368797 387220622 /nfs/dbraw/zinc/22/06/22/387220622.db2.gz NOEWGCGQHBPYFL-MCIONIFRSA-N 1 3 233.359 2.392 20 0 BEADHO COCC1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000423368812 387220945 /nfs/dbraw/zinc/22/09/45/387220945.db2.gz NPNOGEPQLPFAHN-HHTDUIENSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1ccc(CN2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000094338949 387222181 /nfs/dbraw/zinc/22/21/81/387222181.db2.gz LTOCQTFKTFIULR-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423369352 387222833 /nfs/dbraw/zinc/22/28/33/387222833.db2.gz OKRJDZUFSVUMDP-WXHSDQCUSA-N 1 3 222.332 2.070 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423372291 387225684 /nfs/dbraw/zinc/22/56/84/387225684.db2.gz IFNUUSONVZECMX-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)CCN1 ZINC000423373675 387229371 /nfs/dbraw/zinc/22/93/71/387229371.db2.gz JHXCZYYSHXFYTG-ZLDLUXBVSA-N 1 3 230.355 2.404 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCN1 ZINC000423373673 387229893 /nfs/dbraw/zinc/22/98/93/387229893.db2.gz JHXCZYYSHXFYTG-OSAQELSMSA-N 1 3 230.355 2.404 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423396996 387232154 /nfs/dbraw/zinc/23/21/54/387232154.db2.gz NYWWEQUZRSUURU-YIYPIFLZSA-N 1 3 242.382 2.492 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccnc1 ZINC000423399463 387234194 /nfs/dbraw/zinc/23/41/94/387234194.db2.gz PNWHEKSVUGJKKQ-CFVMTHIKSA-N 1 3 247.386 2.366 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1CCCF ZINC000423403747 387241028 /nfs/dbraw/zinc/24/10/28/387241028.db2.gz ZMDUSNWGNZGMEB-AGIUHOORSA-N 1 3 230.371 2.492 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccncc1F ZINC000423428900 387253825 /nfs/dbraw/zinc/25/38/25/387253825.db2.gz JRVXMRCEORLYCX-GHMZBOCLSA-N 1 3 239.338 2.389 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccn1 ZINC000423421849 387250268 /nfs/dbraw/zinc/25/02/68/387250268.db2.gz BCUCNOLXTRBTTM-CORIIIEPSA-N 1 3 245.370 2.120 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C(C)(C)C ZINC000423346359 387195265 /nfs/dbraw/zinc/19/52/65/387195265.db2.gz ZZQFNROFPMBOIM-WCQYABFASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423463697 387312380 /nfs/dbraw/zinc/31/23/80/387312380.db2.gz LMYQMOZVGUMEBK-LQJRIPTKSA-N 1 3 236.334 2.386 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccccc1 ZINC000423467660 387315388 /nfs/dbraw/zinc/31/53/88/387315388.db2.gz NZKSLINVPWGMBA-OLZOCXBDSA-N 1 3 206.333 2.465 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000423374928 387254389 /nfs/dbraw/zinc/25/43/89/387254389.db2.gz UCTBTNVHIILGEC-VOAKCMCISA-N 1 3 208.349 2.035 20 0 BEADHO CC[NH2+][C@H](C)CNC1CCC(CSC)CC1 ZINC000423377280 387260036 /nfs/dbraw/zinc/26/00/36/387260036.db2.gz FDLWJDMNTDZVPW-PNESKVBLSA-N 1 3 244.448 2.496 20 0 BEADHO COCCC[C@H](C)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423379716 387262915 /nfs/dbraw/zinc/26/29/15/387262915.db2.gz GUBIERMILJOULR-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423384413 387268897 /nfs/dbraw/zinc/26/88/97/387268897.db2.gz FXGFCNFPEGTXAJ-NDBYEHHHSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H](Cc1cccs1)NCCC[NH2+]C ZINC000643498383 387277725 /nfs/dbraw/zinc/27/77/25/387277725.db2.gz ONOCWAVEGYYCQW-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO CC[C@@H](Cc1cccs1)[NH2+]CCCNC ZINC000643498383 387277728 /nfs/dbraw/zinc/27/77/28/387277728.db2.gz ONOCWAVEGYYCQW-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCC1 ZINC000423392100 387278137 /nfs/dbraw/zinc/27/81/37/387278137.db2.gz XLCQTPIPMGMLPB-WXHSDQCUSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](CCC(C)(C)C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423442552 387293270 /nfs/dbraw/zinc/29/32/70/387293270.db2.gz ZEQUWEBVUDBNII-NNYUYHANSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](C)N)CC2 ZINC000423444740 387294486 /nfs/dbraw/zinc/29/44/86/387294486.db2.gz MAHDNQYZFZZLCD-MISXGVKJSA-N 1 3 218.344 2.308 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)N)CC2 ZINC000423444738 387295637 /nfs/dbraw/zinc/29/56/37/387295637.db2.gz MAHDNQYZFZZLCD-JTNHKYCSSA-N 1 3 218.344 2.308 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H](C)N ZINC000423449565 387297572 /nfs/dbraw/zinc/29/75/72/387297572.db2.gz RUXLIRNXFYKPJQ-MJVIPROJSA-N 1 3 218.344 2.308 20 0 BEADHO CCC[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccnc1 ZINC000423453728 387301828 /nfs/dbraw/zinc/30/18/28/387301828.db2.gz XYFNCFFRBRKSRF-LOWVWBTDSA-N 1 3 221.348 2.248 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423454979 387302118 /nfs/dbraw/zinc/30/21/18/387302118.db2.gz ZUPAQJOWVOIVBL-DCAQKATOSA-N 1 3 234.343 2.103 20 0 BEADHO CC[C@H](N[C@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423457762 387305613 /nfs/dbraw/zinc/30/56/13/387305613.db2.gz PMOCTIPCSNEPFL-PWSUYJOCSA-N 1 3 239.338 2.389 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461638 387308156 /nfs/dbraw/zinc/30/81/56/387308156.db2.gz JZMJYXLXHYLHET-GXFFZTMASA-N 1 3 249.358 2.033 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000423461481 387308755 /nfs/dbraw/zinc/30/87/55/387308755.db2.gz JROGTFGCBCJKNT-XBFCOCLRSA-N 1 3 236.359 2.090 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccccn1 ZINC000423535398 387361160 /nfs/dbraw/zinc/36/11/60/387361160.db2.gz CXOSBKJEPVHMSY-GFCCVEGCSA-N 1 3 231.343 2.042 20 0 BEADHO C(N[C@@H]1CC[C@@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502744 387364377 /nfs/dbraw/zinc/36/43/77/387364377.db2.gz OYQTZUBJNWCWQZ-MGPQQGTHSA-N 1 3 222.376 2.297 20 0 BEADHO C(N[C@H]1CCC12CCCC2)[C@H]1CCCC[NH2+]1 ZINC000643502544 387366738 /nfs/dbraw/zinc/36/67/38/387366738.db2.gz JTSRJYQNRHCKLN-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1nccs1 ZINC000423543316 387368122 /nfs/dbraw/zinc/36/81/22/387368122.db2.gz UYNSNTKAAFXCLR-JTQLQIEISA-N 1 3 237.372 2.104 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CCC12CCCC2 ZINC000423547109 387370770 /nfs/dbraw/zinc/37/07/70/387370770.db2.gz FTFVTOKMZLFJQJ-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO Cc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc(C)n1 ZINC000423548891 387371362 /nfs/dbraw/zinc/37/13/62/387371362.db2.gz NAZZABMVZSNTTQ-HUUCEWRRSA-N 1 3 247.386 2.306 20 0 BEADHO CC[C@@H]1C[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423545638 387371476 /nfs/dbraw/zinc/37/14/76/387371476.db2.gz JTDVKFWQQZYODZ-FQUUOJAGSA-N 1 3 240.391 2.064 20 0 BEADHO CO[C@H](C)[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000373522736 387377890 /nfs/dbraw/zinc/37/78/90/387377890.db2.gz OAFOMBMOBIJYIQ-MRFVTOPCSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423474358 387322615 /nfs/dbraw/zinc/32/26/15/387322615.db2.gz HFZZVPZCMNNBSK-OLZOCXBDSA-N 1 3 233.359 2.264 20 0 BEADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cs1 ZINC000423478069 387323468 /nfs/dbraw/zinc/32/34/68/387323468.db2.gz UKQGBLXULOZNEN-AEJSXWLSSA-N 1 3 212.362 2.443 20 0 BEADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC)C1(CC)CC ZINC000423477846 387324040 /nfs/dbraw/zinc/32/40/40/387324040.db2.gz UEKGISGVKANQGH-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423476485 387324751 /nfs/dbraw/zinc/32/47/51/387324751.db2.gz SMWJAAIMPBKNGX-WCQYABFASA-N 1 3 222.307 2.140 20 0 BEADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cs1 ZINC000423478304 387325490 /nfs/dbraw/zinc/32/54/90/387325490.db2.gz UKQGBLXULOZNEN-GUBZILKMSA-N 1 3 212.362 2.443 20 0 BEADHO C[C@@H]([NH2+][C@H](c1cccnc1)C1CCC1)[C@H](C)N ZINC000423479961 387326409 /nfs/dbraw/zinc/32/64/09/387326409.db2.gz VSEXVUSBGSKFOY-WDMOLILDSA-N 1 3 233.359 2.248 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423485978 387331700 /nfs/dbraw/zinc/33/17/00/387331700.db2.gz ZHVRTQDBTBORJI-CHWSQXEVSA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccco1 ZINC000423488897 387333554 /nfs/dbraw/zinc/33/35/54/387333554.db2.gz FJLDNGZDHUBVFO-HBNTYKKESA-N 1 3 208.305 2.058 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372992402 387338413 /nfs/dbraw/zinc/33/84/13/387338413.db2.gz WYOSFVZSHGKXMG-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372992402 387338418 /nfs/dbraw/zinc/33/84/18/387338418.db2.gz WYOSFVZSHGKXMG-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321989896 387345326 /nfs/dbraw/zinc/34/53/26/387345326.db2.gz DWWGNUCUHUVTGH-UPJWGTAASA-N 1 3 212.381 2.351 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000322002898 387346752 /nfs/dbraw/zinc/34/67/52/387346752.db2.gz HDLLEAMLQZYHLW-JHJVBQTASA-N 1 3 212.381 2.352 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@@H]2CCCNC2)cc1C ZINC000084517102 387452051 /nfs/dbraw/zinc/45/20/51/387452051.db2.gz SFDQGGHLTCLVGS-OAHLLOKOSA-N 1 3 232.371 2.453 20 0 BEADHO CSC1(C[NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000304255635 387455892 /nfs/dbraw/zinc/45/58/92/387455892.db2.gz IDFDIELMWYERJK-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)c1cc(CN[C@H](C)CCCC[NH3+])on1 ZINC000643455027 387392526 /nfs/dbraw/zinc/39/25/26/387392526.db2.gz UFUJYIFHAAVFKI-LLVKDONJSA-N 1 3 239.363 2.405 20 0 BEADHO CC(C)c1cc(CN[C@@H](C)CCCC[NH3+])on1 ZINC000643455028 387393053 /nfs/dbraw/zinc/39/30/53/387393053.db2.gz UFUJYIFHAAVFKI-NSHDSACASA-N 1 3 239.363 2.405 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000361071065 387396815 /nfs/dbraw/zinc/39/68/15/387396815.db2.gz ZVGFHAZYWLXNTB-MJBXVCDLSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000361071065 387396822 /nfs/dbraw/zinc/39/68/22/387396822.db2.gz ZVGFHAZYWLXNTB-MJBXVCDLSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000361071065 387396828 /nfs/dbraw/zinc/39/68/28/387396828.db2.gz ZVGFHAZYWLXNTB-MJBXVCDLSA-N 1 3 242.407 2.120 20 0 BEADHO CC[C@H](NC[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000643468352 387419162 /nfs/dbraw/zinc/41/91/62/387419162.db2.gz SYEDNKKBLJKCDK-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)C1CC1)[C@@H]1CCCN1 ZINC000643468352 387419165 /nfs/dbraw/zinc/41/91/65/387419165.db2.gz SYEDNKKBLJKCDK-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)CC(F)(F)F ZINC000396917959 387515679 /nfs/dbraw/zinc/51/56/79/387515679.db2.gz VXZHOEQCXKNEFM-AEJSXWLSSA-N 1 3 238.297 2.292 20 0 BEADHO CCC[C@@]1(NCC[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000352825416 387529675 /nfs/dbraw/zinc/52/96/75/387529675.db2.gz PTUQUYODFHCMCR-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[C@@]1(NCC[C@H]2CCC[N@H+]2C)CCOC1 ZINC000352825416 387529683 /nfs/dbraw/zinc/52/96/83/387529683.db2.gz PTUQUYODFHCMCR-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000361748988 387529889 /nfs/dbraw/zinc/52/98/89/387529889.db2.gz CRUKYFZISLRMCM-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000361748988 387529893 /nfs/dbraw/zinc/52/98/93/387529893.db2.gz CRUKYFZISLRMCM-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000361748988 387529894 /nfs/dbraw/zinc/52/98/94/387529894.db2.gz CRUKYFZISLRMCM-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO C1CC(C([NH2+]C2CCNCC2)C2CCC2)C1 ZINC000324828894 387532423 /nfs/dbraw/zinc/53/24/23/387532423.db2.gz URBAMOYOTHVLRE-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)[NH+](CCCNCC1(C)COC1)C(C)C ZINC000352755219 387471102 /nfs/dbraw/zinc/47/11/02/387471102.db2.gz MIKSFKDNHSIZDE-UHFFFAOYSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](CCCc1cccnc1)NCC[NH2+]C1CC1 ZINC000643507643 387480049 /nfs/dbraw/zinc/48/00/49/387480049.db2.gz LMQSWNREPUFGEO-CYBMUJFWSA-N 1 3 247.386 2.134 20 0 BEADHO FC(F)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355148938 387487301 /nfs/dbraw/zinc/48/73/01/387487301.db2.gz JMOWRYRDJZXRSA-QWRGUYRKSA-N 1 3 244.329 2.248 20 0 BEADHO FC(F)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355148938 387487304 /nfs/dbraw/zinc/48/73/04/387487304.db2.gz JMOWRYRDJZXRSA-QWRGUYRKSA-N 1 3 244.329 2.248 20 0 BEADHO COc1cccc([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422714721 387628722 /nfs/dbraw/zinc/62/87/22/387628722.db2.gz RIQDJJREDJPIRV-UTUOFQBUSA-N 1 3 236.359 2.472 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123893177 387597642 /nfs/dbraw/zinc/59/76/42/387597642.db2.gz SMJKDMUMNOPJIX-VHSXEESVSA-N 1 3 238.297 2.436 20 0 BEADHO C[C@@H](C[NH2+]C(C)(C)CCN)CC1CCOCC1 ZINC000422559169 387600138 /nfs/dbraw/zinc/60/01/38/387600138.db2.gz CNJXWRRJWLZIAD-GFCCVEGCSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@H](C[NH2+]C(C)(C)CCN)CC1CCOCC1 ZINC000422559170 387600622 /nfs/dbraw/zinc/60/06/22/387600622.db2.gz CNJXWRRJWLZIAD-LBPRGKRZSA-N 1 3 242.407 2.156 20 0 BEADHO CCC(CC)[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422700753 387614972 /nfs/dbraw/zinc/61/49/72/387614972.db2.gz ANCRXIVQAYBNEK-MELADBBJSA-N 1 3 242.407 2.033 20 0 BEADHO CC[C@@H](Cc1cccs1)NC[C@@H]([NH3+])C1CC1 ZINC000643516417 387622959 /nfs/dbraw/zinc/62/29/59/387622959.db2.gz RNBGFFNRNHXVOY-WCQYABFASA-N 1 3 238.400 2.396 20 0 BEADHO C[C@]1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CCOC1 ZINC000397153315 387547869 /nfs/dbraw/zinc/54/78/69/387547869.db2.gz LIENLMBGBQGXIZ-SOUVJXGZSA-N 1 3 246.354 2.147 20 0 BEADHO [NH3+][C@@H](CN[C@H]1CCCc2ccccc2C1)C1CC1 ZINC000643516687 387630219 /nfs/dbraw/zinc/63/02/19/387630219.db2.gz JWHRNYZQAIAEFY-HOTGVXAUSA-N 1 3 244.382 2.261 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422722239 387632897 /nfs/dbraw/zinc/63/28/97/387632897.db2.gz XHLVEIOHEXDYKY-SCRDCRAPSA-N 1 3 224.392 2.399 20 0 BEADHO CCc1ccc(CCN2CCC[C@H](C[NH3+])C2)cc1 ZINC000430610691 387633405 /nfs/dbraw/zinc/63/34/05/387633405.db2.gz LJIKLRCNLFBMFW-MRXNPFEDSA-N 1 3 246.398 2.462 20 0 BEADHO CCc1ccc(CC[N@@H+]2CCC[C@H](CN)C2)cc1 ZINC000430610691 387633408 /nfs/dbraw/zinc/63/34/08/387633408.db2.gz LJIKLRCNLFBMFW-MRXNPFEDSA-N 1 3 246.398 2.462 20 0 BEADHO CCc1ccc(CC[N@H+]2CCC[C@H](CN)C2)cc1 ZINC000430610691 387633409 /nfs/dbraw/zinc/63/34/09/387633409.db2.gz LJIKLRCNLFBMFW-MRXNPFEDSA-N 1 3 246.398 2.462 20 0 BEADHO CCCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422728086 387635152 /nfs/dbraw/zinc/63/51/52/387635152.db2.gz FASCSZXOIZFSGY-JTQLQIEISA-N 1 3 221.348 2.299 20 0 BEADHO C[C@@H](N[C@@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422726824 387635348 /nfs/dbraw/zinc/63/53/48/387635348.db2.gz GAMKZSUXASMUTL-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)[C@@H]1CCCN1 ZINC000422726824 387635351 /nfs/dbraw/zinc/63/53/51/387635351.db2.gz GAMKZSUXASMUTL-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(F)cc1 ZINC000422726837 387637065 /nfs/dbraw/zinc/63/70/65/387637065.db2.gz GBRLFURZZWMGFV-UWVGGRQHSA-N 1 3 210.296 2.041 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)C1CNC1 ZINC000422726159 387637095 /nfs/dbraw/zinc/63/70/95/387637095.db2.gz DGOJYWOXTRTAMO-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC000376475691 387637946 /nfs/dbraw/zinc/63/79/46/387637946.db2.gz BPNLQFIYHSROMQ-KBPBESRZSA-N 1 3 238.375 2.095 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000376475691 387637948 /nfs/dbraw/zinc/63/79/48/387637948.db2.gz BPNLQFIYHSROMQ-KBPBESRZSA-N 1 3 238.375 2.095 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C1CNC1 ZINC000422729329 387638620 /nfs/dbraw/zinc/63/86/20/387638620.db2.gz KMXFUSMUUJSPGA-BLFANLJRSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccoc1CNCC1CC[NH+](C)CC1 ZINC000126776765 387695024 /nfs/dbraw/zinc/69/50/24/387695024.db2.gz SMUABXRUHQURHS-UHFFFAOYSA-N 1 3 222.332 2.019 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC(C)C ZINC000422733793 387640169 /nfs/dbraw/zinc/64/01/69/387640169.db2.gz RIFQHCSFHKIJSO-JTQLQIEISA-N 1 3 221.348 2.155 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732984 387640348 /nfs/dbraw/zinc/64/03/48/387640348.db2.gz PYRVXJHJTPAPFB-NWDGAFQWSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(F)cc1 ZINC000422735457 387643620 /nfs/dbraw/zinc/64/36/20/387643620.db2.gz UVMPOXMCBDQTGX-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(F)cc1 ZINC000422735457 387643622 /nfs/dbraw/zinc/64/36/22/387643622.db2.gz UVMPOXMCBDQTGX-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO CO[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422738672 387645558 /nfs/dbraw/zinc/64/55/58/387645558.db2.gz JSLIVWWHKWPRQL-RRFJBIMHSA-N 1 3 248.370 2.091 20 0 BEADHO CC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422746338 387651462 /nfs/dbraw/zinc/65/14/62/387651462.db2.gz NTBJRQNPJNTDLL-VHSXEESVSA-N 1 3 221.348 2.298 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccccc1Cl ZINC000422788511 387653033 /nfs/dbraw/zinc/65/30/33/387653033.db2.gz VMARNGRWBIDXOS-OLZOCXBDSA-N 1 3 238.762 2.352 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422749865 387656109 /nfs/dbraw/zinc/65/61/09/387656109.db2.gz BFSQIZBMBUCPOP-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422749865 387656114 /nfs/dbraw/zinc/65/61/14/387656114.db2.gz BFSQIZBMBUCPOP-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(OCCN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422753888 387657737 /nfs/dbraw/zinc/65/77/37/387657737.db2.gz IYUAUAYUFSUAAD-QWHCGFSZSA-N 1 3 236.359 2.089 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527686843 387657887 /nfs/dbraw/zinc/65/78/87/387657887.db2.gz XTGPEDRPGKZJEF-CQDKDKBSSA-N 1 3 234.387 2.273 20 0 BEADHO Cc1ccc(C[C@H](C)N[C@H](C)C2C[NH2+]C2)s1 ZINC000422757307 387661009 /nfs/dbraw/zinc/66/10/09/387661009.db2.gz HUZMYKBLTROEOF-GXSJLCMTSA-N 1 3 238.400 2.185 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+][C@H](C)C2CNC2)s1 ZINC000422757307 387661012 /nfs/dbraw/zinc/66/10/12/387661012.db2.gz HUZMYKBLTROEOF-GXSJLCMTSA-N 1 3 238.400 2.185 20 0 BEADHO CSCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422758139 387661147 /nfs/dbraw/zinc/66/11/47/387661147.db2.gz NNQYTFCWTWQVHJ-RYUDHWBXSA-N 1 3 230.421 2.107 20 0 BEADHO Cc1ccc(OCCN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422757440 387661421 /nfs/dbraw/zinc/66/14/21/387661421.db2.gz MUBCAQRKROLPJD-UKRRQHHQSA-N 1 3 248.370 2.091 20 0 BEADHO CCc1ccc(CCN2CC[C@H](C[NH3+])C2)cc1 ZINC000430924476 387661882 /nfs/dbraw/zinc/66/18/82/387661882.db2.gz IHYWJEMLJLRUAW-OAHLLOKOSA-N 1 3 232.371 2.072 20 0 BEADHO CCc1ccc(CC[N@@H+]2CC[C@H](CN)C2)cc1 ZINC000430924476 387661888 /nfs/dbraw/zinc/66/18/88/387661888.db2.gz IHYWJEMLJLRUAW-OAHLLOKOSA-N 1 3 232.371 2.072 20 0 BEADHO CCc1ccc(CC[N@H+]2CC[C@H](CN)C2)cc1 ZINC000430924476 387661893 /nfs/dbraw/zinc/66/18/93/387661893.db2.gz IHYWJEMLJLRUAW-OAHLLOKOSA-N 1 3 232.371 2.072 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccccc2C1 ZINC000422761419 387663266 /nfs/dbraw/zinc/66/32/66/387663266.db2.gz RHLBSTJGDFSORN-KFWWJZLASA-N 1 3 230.355 2.013 20 0 BEADHO CCc1ccc(CCN2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430953863 387663523 /nfs/dbraw/zinc/66/35/23/387663523.db2.gz DBSYYHOIQGLIPA-BBRMVZONSA-N 1 3 246.398 2.461 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccccc1 ZINC000422761200 387663806 /nfs/dbraw/zinc/66/38/06/387663806.db2.gz QWEODVWJDSIJAE-ZFWWWQNUSA-N 1 3 248.370 2.043 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCc2ccccc2C1 ZINC000422761422 387664035 /nfs/dbraw/zinc/66/40/35/387664035.db2.gz RHLBSTJGDFSORN-ZNMIVQPWSA-N 1 3 230.355 2.013 20 0 BEADHO CC(C)[C@@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422773170 387669956 /nfs/dbraw/zinc/66/99/56/387669956.db2.gz TWAVFVOTNYPPMK-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCOC1CCCCCC1 ZINC000422770003 387670072 /nfs/dbraw/zinc/67/00/72/387670072.db2.gz WCQSOUVFDBECCR-QWHCGFSZSA-N 1 3 242.407 2.441 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422772767 387670452 /nfs/dbraw/zinc/67/04/52/387670452.db2.gz SVINCNQCXLYDNY-YNEHKIRRSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422770625 387671330 /nfs/dbraw/zinc/67/13/30/387671330.db2.gz UYIRLGUQRYHJGZ-VXGBXAGGSA-N 1 3 206.333 2.210 20 0 BEADHO Cc1cccc([C@@H](C)C[NH2+][C@H](C)C2CNC2)c1 ZINC000422781033 387680718 /nfs/dbraw/zinc/68/07/18/387680718.db2.gz JZXBAHFTAQORDS-QWHCGFSZSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1cccc([C@@H](C)CN[C@H](C)C2C[NH2+]C2)c1 ZINC000422781033 387680724 /nfs/dbraw/zinc/68/07/24/387680724.db2.gz JZXBAHFTAQORDS-QWHCGFSZSA-N 1 3 232.371 2.296 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C1CNC1 ZINC000422784766 387683774 /nfs/dbraw/zinc/68/37/74/387683774.db2.gz OLYPHYDKKSOLQP-WDEREUQCSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(C)cc(CCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422785140 387684467 /nfs/dbraw/zinc/68/44/67/387684467.db2.gz OZMDDISLIOUSIW-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1cc(C)cc(CC[NH2+][C@@H](C)C2CNC2)c1 ZINC000422785140 387684473 /nfs/dbraw/zinc/68/44/73/387684473.db2.gz OZMDDISLIOUSIW-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO C[C@H]([NH2+][C@@H](C)C1CCCCC1)C1CNC1 ZINC000422784765 387684510 /nfs/dbraw/zinc/68/45/10/387684510.db2.gz OLYPHYDKKSOLQP-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccco1 ZINC000044515655 387685005 /nfs/dbraw/zinc/68/50/05/387685005.db2.gz GBECDCZEHXOACT-NSHDSACASA-N 1 3 222.332 2.272 20 0 BEADHO CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422786383 387685483 /nfs/dbraw/zinc/68/54/83/387685483.db2.gz QIISXFFQIMKBPG-UONOGXRCSA-N 1 3 218.344 2.218 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000422786929 387686445 /nfs/dbraw/zinc/68/64/45/387686445.db2.gz PHUIBKAGDFKOKW-OLZOCXBDSA-N 1 3 242.407 2.441 20 0 BEADHO COc1ccc(CCCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422744182 387688629 /nfs/dbraw/zinc/68/86/29/387688629.db2.gz VQBMRVHXQNUSKX-LSDHHAIUSA-N 1 3 248.370 2.097 20 0 BEADHO Cc1ccc([C@H](C)NCC2=CC[NH2+]CC2)c(C)n1 ZINC000643520312 387691062 /nfs/dbraw/zinc/69/10/62/387691062.db2.gz KFRAYVRCDBQENX-LBPRGKRZSA-N 1 3 245.370 2.269 20 0 BEADHO CCc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422790581 387692950 /nfs/dbraw/zinc/69/29/50/387692950.db2.gz VBGKFUMGDQOELI-RYUDHWBXSA-N 1 3 220.360 2.464 20 0 BEADHO C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1 ZINC000422792377 387693463 /nfs/dbraw/zinc/69/34/63/387693463.db2.gz DQEKDOYOTGQRDT-REWJHTLYSA-N 1 3 222.376 2.297 20 0 BEADHO CO[C@H](C)[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128532290 387749605 /nfs/dbraw/zinc/74/96/05/387749605.db2.gz YETHDJPOROILNJ-GHMZBOCLSA-N 1 3 242.407 2.309 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128532290 387749612 /nfs/dbraw/zinc/74/96/12/387749612.db2.gz YETHDJPOROILNJ-GHMZBOCLSA-N 1 3 242.407 2.309 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)N)c1ccc(C)cc1 ZINC000643526254 387749717 /nfs/dbraw/zinc/74/97/17/387749717.db2.gz WLSUMWMMBZDOSE-WCQYABFASA-N 1 3 206.333 2.383 20 0 BEADHO Cc1cc([C@H](C)[NH2+]C[C@@H](C)N)c(C)s1 ZINC000643526331 387750322 /nfs/dbraw/zinc/75/03/22/387750322.db2.gz ZVVHNWZJWZURQO-APPZFPTMSA-N 1 3 212.362 2.363 20 0 BEADHO CO[C@@H](C)[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000128592884 387750660 /nfs/dbraw/zinc/75/06/60/387750660.db2.gz SBKDAWBAJXUAMZ-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCS1 ZINC000422874638 387753352 /nfs/dbraw/zinc/75/33/52/387753352.db2.gz OARFCPQSTSSPNH-HNGCFSAESA-N 1 3 240.416 2.145 20 0 BEADHO C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCS1 ZINC000422874639 387753624 /nfs/dbraw/zinc/75/36/24/387753624.db2.gz OARFCPQSTSSPNH-ZGVCCVRISA-N 1 3 240.416 2.145 20 0 BEADHO CCC[C@H]([NH2+]C[C@@H](C)N)c1ccccc1 ZINC000643525947 387754916 /nfs/dbraw/zinc/75/49/16/387754916.db2.gz JOOJPSAUSCEKTA-YPMHNXCESA-N 1 3 206.333 2.465 20 0 BEADHO Cc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422801497 387702359 /nfs/dbraw/zinc/70/23/59/387702359.db2.gz FOTKQBFYUHLZKG-NEPJUHHUSA-N 1 3 206.333 2.210 20 0 BEADHO COCc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422807006 387706451 /nfs/dbraw/zinc/70/64/51/387706451.db2.gz LOMJRABGOLZIOT-NEPJUHHUSA-N 1 3 236.359 2.048 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1cccs1 ZINC000422809409 387707621 /nfs/dbraw/zinc/70/76/21/387707621.db2.gz PQLCXJTXHUUGCC-AXFHLTTASA-N 1 3 226.389 2.395 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1cccs1 ZINC000422809409 387707626 /nfs/dbraw/zinc/70/76/26/387707626.db2.gz PQLCXJTXHUUGCC-AXFHLTTASA-N 1 3 226.389 2.395 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccccc2)CC1 ZINC000422808432 387708878 /nfs/dbraw/zinc/70/88/78/387708878.db2.gz LDKNQQHAVSBAAC-ZIAGYGMSSA-N 1 3 230.355 2.188 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)N ZINC000422812433 387710535 /nfs/dbraw/zinc/71/05/35/387710535.db2.gz WGEUAHVWEAPNGA-DCAQKATOSA-N 1 3 218.410 2.234 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccccc2)CC1 ZINC000422813785 387711825 /nfs/dbraw/zinc/71/18/25/387711825.db2.gz SJNODHNSEFVEQE-OLZOCXBDSA-N 1 3 232.371 2.434 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000422813785 387711829 /nfs/dbraw/zinc/71/18/29/387711829.db2.gz SJNODHNSEFVEQE-OLZOCXBDSA-N 1 3 232.371 2.434 20 0 BEADHO COCc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422812660 387712254 /nfs/dbraw/zinc/71/22/54/387712254.db2.gz YDPMDFIMESNQLB-NWDGAFQWSA-N 1 3 236.359 2.048 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422816194 387714079 /nfs/dbraw/zinc/71/40/79/387714079.db2.gz ZIENQSPDUCPRSK-ZFWWWQNUSA-N 1 3 244.382 2.435 20 0 BEADHO C[C@H]([NH2+][C@@H](C)C1CNC1)[C@@H](C)c1ccccc1 ZINC000422817835 387714119 /nfs/dbraw/zinc/71/41/19/387714119.db2.gz DXRTWTCVZKKCEA-AGIUHOORSA-N 1 3 232.371 2.376 20 0 BEADHO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422820417 387717629 /nfs/dbraw/zinc/71/76/29/387717629.db2.gz QMANJIOBHPQBHS-KGYLQXTDSA-N 1 3 242.432 2.248 20 0 BEADHO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422820418 387718546 /nfs/dbraw/zinc/71/85/46/387718546.db2.gz QMANJIOBHPQBHS-RAIGVLPGSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C1CCSCC1 ZINC000643522572 387719245 /nfs/dbraw/zinc/71/92/45/387719245.db2.gz PNMJAISLZFFNCE-YPMHNXCESA-N 1 3 242.432 2.250 20 0 BEADHO C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2CCCNCC2)C1 ZINC000643522879 387725892 /nfs/dbraw/zinc/72/58/92/387725892.db2.gz UFIVGUJALDAIKB-MGPQQGTHSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1F ZINC000422789683 387731824 /nfs/dbraw/zinc/73/18/24/387731824.db2.gz BKZLHXBQMLPSON-GHMZBOCLSA-N 1 3 224.323 2.350 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cc(F)cc(F)c1 ZINC000422842233 387732366 /nfs/dbraw/zinc/73/23/66/387732366.db2.gz FLLRRXQAGPVGRR-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000422842233 387732370 /nfs/dbraw/zinc/73/23/70/387732370.db2.gz FLLRRXQAGPVGRR-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO Cc1ccccc1C(C)(C)CN[C@@H](C)C1C[NH2+]C1 ZINC000422857275 387742255 /nfs/dbraw/zinc/74/22/55/387742255.db2.gz GPYQZLMPPLBULJ-ZDUSSCGKSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1ccccc1C(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000422857275 387742260 /nfs/dbraw/zinc/74/22/60/387742260.db2.gz GPYQZLMPPLBULJ-ZDUSSCGKSA-N 1 3 246.398 2.470 20 0 BEADHO CC(C)c1csc(CN[C@@H](C)CCC[NH3+])n1 ZINC000422893746 387763536 /nfs/dbraw/zinc/76/35/36/387763536.db2.gz RDKGWKDOQFRXDF-JTQLQIEISA-N 1 3 241.404 2.484 20 0 BEADHO Cc1ccccc1C1(CN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422899011 387765008 /nfs/dbraw/zinc/76/50/08/387765008.db2.gz GOBRJKCYXFGDAY-CABCVRRESA-N 1 3 244.382 2.496 20 0 BEADHO C[C@H](C[C@H]1CCCO1)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422897570 387765198 /nfs/dbraw/zinc/76/51/98/387765198.db2.gz CBULUTBBPFFUPB-XJFOESAGSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](C[C@H]1CCCO1)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422897569 387765563 /nfs/dbraw/zinc/76/55/63/387765563.db2.gz CBULUTBBPFFUPB-SYQHCUMBSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](C[C@H]1CCCO1)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422897568 387766467 /nfs/dbraw/zinc/76/64/67/387766467.db2.gz CBULUTBBPFFUPB-RQJABVFESA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](CCc1ccccc1F)NC[C@H](C)[NH3+] ZINC000643528326 387767492 /nfs/dbraw/zinc/76/74/92/387767492.db2.gz HAUVSKVRIFENCT-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000643528343 387767517 /nfs/dbraw/zinc/76/75/17/387767517.db2.gz HIIKFTHUNBIMKR-PELKAZGASA-N 1 3 224.735 2.264 20 0 BEADHO C[N@@H+]1CC[C@]2(CCN(CC3=CCCC3)C2)C1 ZINC000645922182 387767950 /nfs/dbraw/zinc/76/79/50/387767950.db2.gz HKIGDKAWUUUWOG-AWEZNQCLSA-N 1 3 220.360 2.124 20 0 BEADHO C[N@H+]1CC[C@]2(CCN(CC3=CCCC3)C2)C1 ZINC000645922182 387767952 /nfs/dbraw/zinc/76/79/52/387767952.db2.gz HKIGDKAWUUUWOG-AWEZNQCLSA-N 1 3 220.360 2.124 20 0 BEADHO C[C@H](N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000643528346 387768114 /nfs/dbraw/zinc/76/81/14/387768114.db2.gz HIIKFTHUNBIMKR-UFBFGSQYSA-N 1 3 224.735 2.264 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)Cc1ccccc1)C1CNC1 ZINC000422910983 387768785 /nfs/dbraw/zinc/76/87/85/387768785.db2.gz JSBRTOFICGOXQO-CYBMUJFWSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@@H](NCC(C)(C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422910983 387768790 /nfs/dbraw/zinc/76/87/90/387768790.db2.gz JSBRTOFICGOXQO-CYBMUJFWSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@H](N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000643528668 387769863 /nfs/dbraw/zinc/76/98/63/387769863.db2.gz MSIOADGWSNCKHX-UFBFGSQYSA-N 1 3 224.735 2.264 20 0 BEADHO c1ccc(C[C@@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000422912030 387771090 /nfs/dbraw/zinc/77/10/90/387771090.db2.gz MERZZCDGCOQOHV-MRXNPFEDSA-N 1 3 244.382 2.349 20 0 BEADHO Cc1ccc(CC[C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643528745 387771941 /nfs/dbraw/zinc/77/19/41/387771941.db2.gz ODQCLZJQHWOEKI-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000422917127 387774083 /nfs/dbraw/zinc/77/40/83/387774083.db2.gz CNGUGESCOUFINH-JTQLQIEISA-N 1 3 233.359 2.299 20 0 BEADHO C[C@H](N)C[NH2+][C@H]1CCCc2sccc21 ZINC000643529100 387774923 /nfs/dbraw/zinc/77/49/23/387774923.db2.gz VETNZUKNYQFSSN-WPRPVWTQSA-N 1 3 210.346 2.062 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc(F)c1F ZINC000422961016 387812237 /nfs/dbraw/zinc/81/22/37/387812237.db2.gz YDRJDAAVLFPSGC-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc(F)c1F ZINC000422961016 387812241 /nfs/dbraw/zinc/81/22/41/387812241.db2.gz YDRJDAAVLFPSGC-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO CCC[C@@H](Cc1ccccc1)NC[C@H](C)[NH3+] ZINC000643529320 387777111 /nfs/dbraw/zinc/77/71/11/387777111.db2.gz YNLWHDNZFRAJMI-JSGCOSHPSA-N 1 3 220.360 2.335 20 0 BEADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643529413 387777745 /nfs/dbraw/zinc/77/77/45/387777745.db2.gz ZLYUGGCPTWEZDH-RYUDHWBXSA-N 1 3 236.359 2.472 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422926614 387779058 /nfs/dbraw/zinc/77/90/58/387779058.db2.gz XBQPMZCSVZZFBH-YHUYYLMFSA-N 1 3 244.382 2.335 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000422926614 387779064 /nfs/dbraw/zinc/77/90/64/387779064.db2.gz XBQPMZCSVZZFBH-YHUYYLMFSA-N 1 3 244.382 2.335 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000422926663 387779582 /nfs/dbraw/zinc/77/95/82/387779582.db2.gz XGPPJCQSYMDSDG-VIRABCJISA-N 1 3 232.371 2.333 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422926663 387779585 /nfs/dbraw/zinc/77/95/85/387779585.db2.gz XGPPJCQSYMDSDG-VIRABCJISA-N 1 3 232.371 2.333 20 0 BEADHO C[C@H]([NH2+]CC1(C)CCCCC1)C1CNC1 ZINC000422930619 387780653 /nfs/dbraw/zinc/78/06/53/387780653.db2.gz VGCNEWSUAPVVBG-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000643477783 387781611 /nfs/dbraw/zinc/78/16/11/387781611.db2.gz SPPVTESGEFCQHW-NDKCEZKHSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422937757 387782734 /nfs/dbraw/zinc/78/27/34/387782734.db2.gz OPWOBFKZMOXHQJ-DGCLKSJQSA-N 1 3 222.376 2.154 20 0 BEADHO COC[C@@H](CCC[NH3+])NC1(c2ccccc2)CC1 ZINC000422944153 387784780 /nfs/dbraw/zinc/78/47/80/387784780.db2.gz ZGXHPISOWZFHHY-CQSZACIVSA-N 1 3 248.370 2.019 20 0 BEADHO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422901583 387787389 /nfs/dbraw/zinc/78/73/89/387787389.db2.gz SFMUYLAIYQSEJN-HUUCEWRRSA-N 1 3 248.370 2.445 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422983626 387794393 /nfs/dbraw/zinc/79/43/93/387794393.db2.gz UJJXSTRZRLZHOU-CVEARBPZSA-N 1 3 244.382 2.118 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(O)cc1 ZINC000422990779 387799464 /nfs/dbraw/zinc/79/94/64/387799464.db2.gz NYTZLLBGKBDPKG-CABCVRRESA-N 1 3 248.370 2.184 20 0 BEADHO COc1cccc(CCCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422949482 387807765 /nfs/dbraw/zinc/80/77/65/387807765.db2.gz VGFBBEZNNWKGEH-GJZGRUSLSA-N 1 3 248.370 2.097 20 0 BEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCC1 ZINC000422954232 387809667 /nfs/dbraw/zinc/80/96/67/387809667.db2.gz HKQXHESKKIICEW-BXUZGUMPSA-N 1 3 218.344 2.087 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)C1 ZINC000527855962 387758652 /nfs/dbraw/zinc/75/86/52/387758652.db2.gz XKJUXRAHAQPYRP-MJBXVCDLSA-N 1 3 236.403 2.497 20 0 BEADHO CC[C@H](Cc1cccs1)NC[C@@H](C)[NH3+] ZINC000643526859 387760388 /nfs/dbraw/zinc/76/03/88/387760388.db2.gz AUTONPBYJQLUJJ-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO Cc1nc(CCN[C@H](C)C[C@@H](C)[NH3+])sc1C ZINC000422889364 387760551 /nfs/dbraw/zinc/76/05/51/387760551.db2.gz GBUOJFTZKCLMKI-RKDXNWHRSA-N 1 3 241.404 2.018 20 0 BEADHO C[C@H]([NH3+])CN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000643526735 387760813 /nfs/dbraw/zinc/76/08/13/387760813.db2.gz FQEZWUVPXFOSJF-YUTCNCBUSA-N 1 3 218.344 2.260 20 0 BEADHO C[C@@H](NC[C@@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422972552 387822135 /nfs/dbraw/zinc/82/21/35/387822135.db2.gz MCRKSBSPNHELHB-UPJWGTAASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422972552 387822140 /nfs/dbraw/zinc/82/21/40/387822140.db2.gz MCRKSBSPNHELHB-UPJWGTAASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1(C2CC2)CCC1 ZINC000423008231 387830786 /nfs/dbraw/zinc/83/07/86/387830786.db2.gz ZLFBRUZMVDURIG-QWRGUYRKSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000442732059 387830939 /nfs/dbraw/zinc/83/09/39/387830939.db2.gz USDHWQPKHDGZCK-NRUUGDAUSA-N 1 3 249.358 2.018 20 0 BEADHO CC(C)CSCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423008445 387831037 /nfs/dbraw/zinc/83/10/37/387831037.db2.gz AHKPTVBBXWRHSU-QWHCGFSZSA-N 1 3 244.448 2.353 20 0 BEADHO CC(C)CSCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423008445 387831042 /nfs/dbraw/zinc/83/10/42/387831042.db2.gz AHKPTVBBXWRHSU-QWHCGFSZSA-N 1 3 244.448 2.353 20 0 BEADHO C[C@H]([NH2+]CC1CCC(C)(C)CC1)C1CNC1 ZINC000423010719 387834327 /nfs/dbraw/zinc/83/43/27/387834327.db2.gz HGUIDVBGFRGJNL-NSHDSACASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CCCC[NH3+])NCc1ccc(Cl)cn1 ZINC000423011619 387834542 /nfs/dbraw/zinc/83/45/42/387834542.db2.gz BDONVRVZPUOBKF-SNVBAGLBSA-N 1 3 241.766 2.342 20 0 BEADHO CC(C)CSCCN[C@H](C)C[C@H](C)[NH3+] ZINC000423012171 387836323 /nfs/dbraw/zinc/83/63/23/387836323.db2.gz KEPWUQMNBSBKCT-WDEREUQCSA-N 1 3 218.410 2.091 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423031533 387847130 /nfs/dbraw/zinc/84/71/30/387847130.db2.gz LGBGSPBQFUXURI-ZIAGYGMSSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1(C)CC1 ZINC000062078308 387849457 /nfs/dbraw/zinc/84/94/57/387849457.db2.gz QKXHHRZJTHTSHS-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO COC1CCC(CC[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000423036695 387850960 /nfs/dbraw/zinc/85/09/60/387850960.db2.gz LHKVAFMZXAKUFM-MRFVTOPCSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000643534513 387852241 /nfs/dbraw/zinc/85/22/41/387852241.db2.gz WQUYDBJIIYEGJB-JQWIXIFHSA-N 1 3 220.316 2.072 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)c1ccncc1 ZINC000643460297 387874297 /nfs/dbraw/zinc/87/42/97/387874297.db2.gz NDMCWUSBDJAMGC-GZBFAFLISA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccncc1 ZINC000643460393 387874369 /nfs/dbraw/zinc/87/43/69/387874369.db2.gz YUNBEFQZZJMEBC-SNPRPXQTSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC1(Cc2ccccc2)CC1 ZINC000423054746 387861663 /nfs/dbraw/zinc/86/16/63/387861663.db2.gz UYADGWXOSJXTNY-STQMWFEESA-N 1 3 232.371 2.477 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000423054746 387861668 /nfs/dbraw/zinc/86/16/68/387861668.db2.gz UYADGWXOSJXTNY-STQMWFEESA-N 1 3 232.371 2.477 20 0 BEADHO CSCCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423056064 387861978 /nfs/dbraw/zinc/86/19/78/387861978.db2.gz WWYUWMLNWQNJQT-MNOVXSKESA-N 1 3 218.410 2.235 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423061217 387865332 /nfs/dbraw/zinc/86/53/32/387865332.db2.gz KFOXVTHZSOXRRX-XQHKEYJVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643535847 387865524 /nfs/dbraw/zinc/86/55/24/387865524.db2.gz PKTVXTJLMYOJDS-MFKMUULPSA-N 1 3 249.333 2.013 20 0 BEADHO Cc1cncc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000643535836 387866544 /nfs/dbraw/zinc/86/65/44/387866544.db2.gz PJMPRACDDYCWRD-GXTWGEPZSA-N 1 3 245.370 2.183 20 0 BEADHO COc1ccc(F)cc1CN[C@H](C)CCC[NH3+] ZINC000423062945 387866644 /nfs/dbraw/zinc/86/66/44/387866644.db2.gz NXPDSTYDPAPKOU-SNVBAGLBSA-N 1 3 240.322 2.051 20 0 BEADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cn1 ZINC000643535844 387866671 /nfs/dbraw/zinc/86/66/71/387866671.db2.gz PKTVXTJLMYOJDS-GWCFXTLKSA-N 1 3 249.333 2.013 20 0 BEADHO Cc1cncc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000643535837 387866722 /nfs/dbraw/zinc/86/67/22/387866722.db2.gz PJMPRACDDYCWRD-JSGCOSHPSA-N 1 3 245.370 2.183 20 0 BEADHO CO[C@H](C)[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423064978 387867497 /nfs/dbraw/zinc/86/74/97/387867497.db2.gz AKZUMSHHSGBLFG-XJFOESAGSA-N 1 3 242.407 2.310 20 0 BEADHO CC(C)=CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423066912 387869664 /nfs/dbraw/zinc/86/96/64/387869664.db2.gz FTSLAXKYVZFREE-CHWSQXEVSA-N 1 3 210.365 2.320 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000423066762 387870072 /nfs/dbraw/zinc/87/00/72/387870072.db2.gz XTVSSYVIXWTZNR-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423071100 387871615 /nfs/dbraw/zinc/87/16/15/387871615.db2.gz OANSKVKGXCEOGC-DJBIQUGXSA-N 1 3 234.343 2.144 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1ccc2c(n1)CCCC2 ZINC000423072119 387872357 /nfs/dbraw/zinc/87/23/57/387872357.db2.gz GTMZUTZRMLZFNU-LBPRGKRZSA-N 1 3 247.386 2.177 20 0 BEADHO C[C@H](NCC1(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000423002728 387818637 /nfs/dbraw/zinc/81/86/37/387818637.db2.gz ZJSPGKPOIDWHNN-ZDUSSCGKSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@H]([NH2+]CC1(Cc2ccccc2)CC1)C1CNC1 ZINC000423002728 387818641 /nfs/dbraw/zinc/81/86/41/387818641.db2.gz ZJSPGKPOIDWHNN-ZDUSSCGKSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@@H](N)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000442666991 387818927 /nfs/dbraw/zinc/81/89/27/387818927.db2.gz XNYVQHVIYWGTSY-IAQYHMDHSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@@H](N)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000442666991 387818929 /nfs/dbraw/zinc/81/89/29/387818929.db2.gz XNYVQHVIYWGTSY-IAQYHMDHSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@H](N)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000442666993 387819432 /nfs/dbraw/zinc/81/94/32/387819432.db2.gz XNYVQHVIYWGTSY-NHYWBVRUSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@H](N)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000442666993 387819437 /nfs/dbraw/zinc/81/94/37/387819437.db2.gz XNYVQHVIYWGTSY-NHYWBVRUSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@@H](N)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000442666989 387819608 /nfs/dbraw/zinc/81/96/08/387819608.db2.gz XNYVQHVIYWGTSY-ABAIWWIYSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@@H](N)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000442666989 387819610 /nfs/dbraw/zinc/81/96/10/387819610.db2.gz XNYVQHVIYWGTSY-ABAIWWIYSA-N 1 3 230.355 2.486 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC1(c2ccccn2)CCC1 ZINC000423101874 387889962 /nfs/dbraw/zinc/88/99/62/387889962.db2.gz DJWXHIXMYFIWIZ-STQMWFEESA-N 1 3 247.386 2.219 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000423101874 387889965 /nfs/dbraw/zinc/88/99/65/387889965.db2.gz DJWXHIXMYFIWIZ-STQMWFEESA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)SCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423105358 387890458 /nfs/dbraw/zinc/89/04/58/387890458.db2.gz IFPNUQOBKBFBLC-RYUDHWBXSA-N 1 3 230.421 2.378 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc2[nH]ccc21 ZINC000423105162 387890634 /nfs/dbraw/zinc/89/06/34/387890634.db2.gz CAKKGNDGJDSLCI-NWDGAFQWSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc2[nH]ccc21 ZINC000423105162 387890637 /nfs/dbraw/zinc/89/06/37/387890637.db2.gz CAKKGNDGJDSLCI-NWDGAFQWSA-N 1 3 245.370 2.426 20 0 BEADHO Cc1ccccc1[C@H]1C[C@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000423109854 387893680 /nfs/dbraw/zinc/89/36/80/387893680.db2.gz VFQULCCINFGUFR-YDHLFZDLSA-N 1 3 244.382 2.439 20 0 BEADHO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000423109854 387893682 /nfs/dbraw/zinc/89/36/82/387893682.db2.gz VFQULCCINFGUFR-YDHLFZDLSA-N 1 3 244.382 2.439 20 0 BEADHO CCSCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423117731 387898181 /nfs/dbraw/zinc/89/81/81/387898181.db2.gz WXIVKOAAPKANLH-NEPJUHHUSA-N 1 3 230.421 2.107 20 0 BEADHO CCC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423076295 387876096 /nfs/dbraw/zinc/87/60/96/387876096.db2.gz QTMUIJWYCQLTQO-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000423078799 387876261 /nfs/dbraw/zinc/87/62/61/387876261.db2.gz WTYLAYKIQWWARP-QWRGUYRKSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1(C)CC1 ZINC000423087946 387880680 /nfs/dbraw/zinc/88/06/80/387880680.db2.gz QPSYKTLJDLLBHB-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1cccs1 ZINC000643540246 387881929 /nfs/dbraw/zinc/88/19/29/387881929.db2.gz LJBQMNUNXBDCIC-NXEZZACHSA-N 1 3 212.362 2.006 20 0 BEADHO Cc1cscc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423091755 387882736 /nfs/dbraw/zinc/88/27/36/387882736.db2.gz YQNPCOLTORLKIB-NXEZZACHSA-N 1 3 212.362 2.272 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H]1CCCc2ccccc2C1 ZINC000643540808 387883376 /nfs/dbraw/zinc/88/33/76/387883376.db2.gz VIZJOEIYSXOWKU-HUUCEWRRSA-N 1 3 232.371 2.261 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000423092550 387883434 /nfs/dbraw/zinc/88/34/34/387883434.db2.gz CIDSBBVCWATRED-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cscc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000423091757 387883548 /nfs/dbraw/zinc/88/35/48/387883548.db2.gz YQNPCOLTORLKIB-VHSXEESVSA-N 1 3 212.362 2.272 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423095868 387885939 /nfs/dbraw/zinc/88/59/39/387885939.db2.gz NHHROIYZSRSNOA-XUXIUFHCSA-N 1 3 222.376 2.282 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1ccccc1F ZINC000423097886 387886291 /nfs/dbraw/zinc/88/62/91/387886291.db2.gz RIUUFAXDKIRNCA-KBPBESRZSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC1(C(F)(F)F)CC1 ZINC000423102277 387888784 /nfs/dbraw/zinc/88/87/84/387888784.db2.gz DVDKHOVYTBPBRO-JGVFFNPUSA-N 1 3 224.270 2.044 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC1(C(F)(F)F)CC1 ZINC000423102278 387889434 /nfs/dbraw/zinc/88/94/34/387889434.db2.gz DVDKHOVYTBPBRO-SFYZADRCSA-N 1 3 224.270 2.044 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(CC(C)C)CC1 ZINC000195334767 387918059 /nfs/dbraw/zinc/91/80/59/387918059.db2.gz OORIYBRFWNMXCE-UHFFFAOYSA-N 1 3 233.359 2.168 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H](C)F ZINC000423140129 387918376 /nfs/dbraw/zinc/91/83/76/387918376.db2.gz XKMIXFZUIAEWPZ-ZJUUUORDSA-N 1 3 239.338 2.247 20 0 BEADHO C/C(Cl)=C/CN1CCC(C[NH+](C)C)CC1 ZINC000528352253 387905142 /nfs/dbraw/zinc/90/51/42/387905142.db2.gz FOEXMKFVVIVJLT-WCIBSUBMSA-N 1 3 230.783 2.403 20 0 BEADHO C[C@H](NC[C@]1(C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423129156 387906784 /nfs/dbraw/zinc/90/67/84/387906784.db2.gz DVOCIGNMKHYQDL-RCBQFDQVSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CNC1 ZINC000423129156 387906789 /nfs/dbraw/zinc/90/67/89/387906789.db2.gz DVOCIGNMKHYQDL-RCBQFDQVSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000423133699 387912071 /nfs/dbraw/zinc/91/20/71/387912071.db2.gz VXCVGQCAMYBYND-JHJVBQTASA-N 1 3 242.432 2.107 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000423136856 387914369 /nfs/dbraw/zinc/91/43/69/387914369.db2.gz ZQEYQKSYSLWRNF-AUXWQGHOSA-N 1 3 236.281 2.044 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423153996 387931918 /nfs/dbraw/zinc/93/19/18/387931918.db2.gz OLSALKBFZOWPDR-ZOBORPQBSA-N 1 3 224.392 2.386 20 0 BEADHO CC[C@H](C)[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423156265 387934031 /nfs/dbraw/zinc/93/40/31/387934031.db2.gz KWBCDWNPBJRVOZ-XUXIUFHCSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](C)[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])OC ZINC000423156263 387934190 /nfs/dbraw/zinc/93/41/90/387934190.db2.gz KWBCDWNPBJRVOZ-DGAVXFQQSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](C)[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423156264 387935385 /nfs/dbraw/zinc/93/53/85/387935385.db2.gz KWBCDWNPBJRVOZ-FQUUOJAGSA-N 1 3 242.407 2.297 20 0 BEADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423156632 387936507 /nfs/dbraw/zinc/93/65/07/387936507.db2.gz SVZUKDWXJXUJDS-LJISPDSOSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)c1ccccn1 ZINC000423143835 387920044 /nfs/dbraw/zinc/92/00/44/387920044.db2.gz DZGRXGFBOISFQH-RYUDHWBXSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000423143835 387920048 /nfs/dbraw/zinc/92/00/48/387920048.db2.gz DZGRXGFBOISFQH-RYUDHWBXSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1ccccn1 ZINC000423143834 387920951 /nfs/dbraw/zinc/92/09/51/387920951.db2.gz DZGRXGFBOISFQH-NWDGAFQWSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)c1ccccn1 ZINC000423143834 387920954 /nfs/dbraw/zinc/92/09/54/387920954.db2.gz DZGRXGFBOISFQH-NWDGAFQWSA-N 1 3 235.375 2.075 20 0 BEADHO Cc1cccc2c1OC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C2 ZINC000423144413 387921485 /nfs/dbraw/zinc/92/14/85/387921485.db2.gz YWIZXVORNITQEH-YRGRVCCFSA-N 1 3 248.370 2.014 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCC(C)(F)F ZINC000423147244 387924009 /nfs/dbraw/zinc/92/40/09/387924009.db2.gz RLSITZBFEJPVAP-DTWKUNHWSA-N 1 3 208.296 2.137 20 0 BEADHO Cc1ccc(F)c(CCN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423147027 387924911 /nfs/dbraw/zinc/92/49/11/387924911.db2.gz BTJNDKRHKWZXJQ-NWDGAFQWSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1ccc(F)c(CC[NH2+][C@H](C)C[C@H](C)N)c1 ZINC000423147027 387924913 /nfs/dbraw/zinc/92/49/13/387924913.db2.gz BTJNDKRHKWZXJQ-NWDGAFQWSA-N 1 3 238.350 2.392 20 0 BEADHO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000423150121 387927715 /nfs/dbraw/zinc/92/77/15/387927715.db2.gz IDHWOQQVYMLGDS-FQUUOJAGSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000423150124 387928250 /nfs/dbraw/zinc/92/82/50/387928250.db2.gz IDHWOQQVYMLGDS-XDQVBPFNSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1C[C@H]1C ZINC000321159186 387954456 /nfs/dbraw/zinc/95/44/56/387954456.db2.gz XBTPULVAWUTXJN-BJJPWKGXSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]([NH2+]CC1(C2CCC2)CCC1)C1CNC1 ZINC000423159075 387938053 /nfs/dbraw/zinc/93/80/53/387938053.db2.gz FFJFNSSHRDKXCW-LLVKDONJSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]([NH2+]CC1CCCCCC1)C1CNC1 ZINC000423158059 387938716 /nfs/dbraw/zinc/93/87/16/387938716.db2.gz WCTJKOLOKIQDQS-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162396 387944465 /nfs/dbraw/zinc/94/44/65/387944465.db2.gz LAHCWWPJWNOWLQ-RFGFWPKPSA-N 1 3 222.376 2.140 20 0 BEADHO CCC[C@H]([NH2+][C@H]1CCNC1)C1CCCC1 ZINC000423171397 387956333 /nfs/dbraw/zinc/95/63/33/387956333.db2.gz OHGQQAZWJNVGDS-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000423164948 387948342 /nfs/dbraw/zinc/94/83/42/387948342.db2.gz PBYYZXMJNOVCNV-MROQNXINSA-N 1 3 224.392 2.399 20 0 BEADHO CCCc1ncc(CN[C@@H](C)CCCC[NH3+])o1 ZINC000423165347 387948671 /nfs/dbraw/zinc/94/86/71/387948671.db2.gz UJTQOEGSKRVVQM-NSHDSACASA-N 1 3 239.363 2.234 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000423164949 387948743 /nfs/dbraw/zinc/94/87/43/387948743.db2.gz PBYYZXMJNOVCNV-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423170243 387958042 /nfs/dbraw/zinc/95/80/42/387958042.db2.gz XODAPFOZHRVMIF-MQYQWHSLSA-N 1 3 240.391 2.050 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423171532 387959708 /nfs/dbraw/zinc/95/97/08/387959708.db2.gz OVLASXNPMJYUQO-AHLTXXRQSA-N 1 3 234.318 2.151 20 0 BEADHO CC[C@H](NC1CCC(OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423173119 387960820 /nfs/dbraw/zinc/96/08/20/387960820.db2.gz WZXUMBYSZFGMBA-HOAMVYINSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@H]([NH2+]C1CCC(OC)CC1)[C@@H]1CCCN1 ZINC000423173119 387960824 /nfs/dbraw/zinc/96/08/24/387960824.db2.gz WZXUMBYSZFGMBA-HOAMVYINSA-N 1 3 240.391 2.064 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000423180886 387965401 /nfs/dbraw/zinc/96/54/01/387965401.db2.gz KQSVPWGASAJAKJ-QNWHQSFQSA-N 1 3 228.355 2.374 20 0 BEADHO CC1(C)[C@H](NCCC[NH3+])C[C@H]1Oc1ccccc1 ZINC000423183214 387967760 /nfs/dbraw/zinc/96/77/60/387967760.db2.gz HJIBXGYBISWHKA-ZIAGYGMSSA-N 1 3 248.370 2.171 20 0 BEADHO CC1(C)[C@H]([NH2+]CCCN)C[C@H]1Oc1ccccc1 ZINC000423183214 387967763 /nfs/dbraw/zinc/96/77/63/387967763.db2.gz HJIBXGYBISWHKA-ZIAGYGMSSA-N 1 3 248.370 2.171 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCNCC1 ZINC000423184632 387970098 /nfs/dbraw/zinc/97/00/98/387970098.db2.gz MJMGEOKUXGKGHY-WFASDCNBSA-N 1 3 248.370 2.104 20 0 BEADHO CC[C@@H](C[NH2+][C@H](C)C1CNC1)CC(F)(F)F ZINC000423185578 387970594 /nfs/dbraw/zinc/97/05/94/387970594.db2.gz NYNWPLNYDRYOKM-RKDXNWHRSA-N 1 3 238.297 2.163 20 0 BEADHO NCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000423193916 387979352 /nfs/dbraw/zinc/97/93/52/387979352.db2.gz QZVOJWFFACVTDQ-KGLIPLIRSA-N 1 3 218.344 2.261 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423194542 387979447 /nfs/dbraw/zinc/97/94/47/387979447.db2.gz WTDLUGGTFVYHKE-UMSGYPCISA-N 1 3 234.343 2.113 20 0 BEADHO CCC[C@@H](NCCC[NH3+])c1ccc(OC)cc1 ZINC000423188457 387974540 /nfs/dbraw/zinc/97/45/40/387974540.db2.gz ZGKHJGARVUQGPV-CQSZACIVSA-N 1 3 236.359 2.475 20 0 BEADHO CNCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423201678 387988203 /nfs/dbraw/zinc/98/82/03/387988203.db2.gz PMRKUWYCJDQJEP-QEJZJMRPSA-N 1 3 232.371 2.378 20 0 BEADHO C[NH2+]CCCN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423201678 387988207 /nfs/dbraw/zinc/98/82/07/387988207.db2.gz PMRKUWYCJDQJEP-QEJZJMRPSA-N 1 3 232.371 2.378 20 0 BEADHO CCSCCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246732716 135083133 /nfs/dbraw/zinc/08/31/33/135083133.db2.gz MGNJOUBBMRPZRK-RYUDHWBXSA-N 1 3 230.421 2.154 20 0 BEADHO CCSCCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246732716 135083135 /nfs/dbraw/zinc/08/31/35/135083135.db2.gz MGNJOUBBMRPZRK-RYUDHWBXSA-N 1 3 230.421 2.154 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCSCC1 ZINC000423210082 387995349 /nfs/dbraw/zinc/99/53/49/387995349.db2.gz JPJSTADEPCQPIE-NEPJUHHUSA-N 1 3 242.432 2.107 20 0 BEADHO COc1ccc([C@H](C)NCCC[NH3+])c(C)c1 ZINC000423197054 387982162 /nfs/dbraw/zinc/98/21/62/387982162.db2.gz XPEXJFVIYQDIEX-NSHDSACASA-N 1 3 222.332 2.003 20 0 BEADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCN)C1 ZINC000423196601 387982187 /nfs/dbraw/zinc/98/21/87/387982187.db2.gz VQMSDFHMKOCHNL-ZIAGYGMSSA-N 1 3 247.386 2.355 20 0 BEADHO [NH3+]CCCN[C@H]1CCc2ccc(Cl)cc21 ZINC000423197571 387983422 /nfs/dbraw/zinc/98/34/22/387983422.db2.gz ZWRGRZKEVOTHRC-LBPRGKRZSA-N 1 3 224.735 2.266 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCCCCC1)[C@@H]1CCCO1 ZINC000423198821 387984345 /nfs/dbraw/zinc/98/43/45/387984345.db2.gz ICHQBGINITYKHA-STQMWFEESA-N 1 3 240.391 2.195 20 0 BEADHO C[C@H](NCC1([NH3+])CCCCCC1)[C@@H]1CCCO1 ZINC000423198821 387984348 /nfs/dbraw/zinc/98/43/48/387984348.db2.gz ICHQBGINITYKHA-STQMWFEESA-N 1 3 240.391 2.195 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000423198879 387985255 /nfs/dbraw/zinc/98/52/55/387985255.db2.gz IKJXCWCWDIXKRE-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423198919 387985265 /nfs/dbraw/zinc/98/52/65/387985265.db2.gz IQVRSKMZULYAAL-ZFWWWQNUSA-N 1 3 247.386 2.307 20 0 BEADHO C[NH2+]CCCN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423198919 387985267 /nfs/dbraw/zinc/98/52/67/387985267.db2.gz IQVRSKMZULYAAL-ZFWWWQNUSA-N 1 3 247.386 2.307 20 0 BEADHO CCC[C@@H]([NH2+]CCCNC)C(C)(C)C ZINC000423198893 387986407 /nfs/dbraw/zinc/98/64/07/387986407.db2.gz IOGGPLFHEKTMGB-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCNC ZINC000423201440 387987148 /nfs/dbraw/zinc/98/71/48/387987148.db2.gz ORJRCERJMKJQOX-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO CCC[C@@H](NCC[C@H](C)[NH3+])c1cccnc1 ZINC000423226950 388011009 /nfs/dbraw/zinc/01/10/09/388011009.db2.gz SWYCQESDJDFLCR-WCQYABFASA-N 1 3 221.348 2.250 20 0 BEADHO Cc1ccc(CCN2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420408085 387998766 /nfs/dbraw/zinc/99/87/66/387998766.db2.gz OWXZEAQXPHNQEF-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC000420408085 387998771 /nfs/dbraw/zinc/99/87/71/387998771.db2.gz OWXZEAQXPHNQEF-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@H](CN)C2)cc1 ZINC000420408085 387998773 /nfs/dbraw/zinc/99/87/73/387998773.db2.gz OWXZEAQXPHNQEF-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423216380 388000141 /nfs/dbraw/zinc/00/01/41/388000141.db2.gz RUXOWTVGXJXQJI-ZOBORPQBSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)CC[C@@H]([NH2+][C@H]1CCNC1)C1CC1 ZINC000423216998 388000730 /nfs/dbraw/zinc/00/07/30/388000730.db2.gz RCAGKLJZFRCENM-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423223347 388003545 /nfs/dbraw/zinc/00/35/45/388003545.db2.gz GCNUALCOZHTVAF-YNEHKIRRSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423223347 388003547 /nfs/dbraw/zinc/00/35/47/388003547.db2.gz GCNUALCOZHTVAF-YNEHKIRRSA-N 1 3 242.407 2.153 20 0 BEADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccncc1 ZINC000453182894 388004650 /nfs/dbraw/zinc/00/46/50/388004650.db2.gz SRHPFTUUMXCDGC-OAHLLOKOSA-N 1 3 245.370 2.384 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCCNc2ccccc21 ZINC000423227607 388011076 /nfs/dbraw/zinc/01/10/76/388011076.db2.gz WITIOSGMARHOCT-SMDDNHRTSA-N 1 3 233.359 2.260 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1c2ccccc2C[C@H]1C ZINC000423224183 388005893 /nfs/dbraw/zinc/00/58/93/388005893.db2.gz ILHVNIHLEJCRTA-UHIISALHSA-N 1 3 218.344 2.247 20 0 BEADHO C[C@H]([NH3+])CCN[C@H](c1ccccc1)C1CC1 ZINC000423225165 388007505 /nfs/dbraw/zinc/00/75/05/388007505.db2.gz LOCFAACVSUCLKY-SMDDNHRTSA-N 1 3 218.344 2.465 20 0 BEADHO C[NH2+]CCN[C@@H](CCc1ccccc1)C(C)C ZINC000423225601 388008264 /nfs/dbraw/zinc/00/82/64/388008264.db2.gz NLLHSDAIAMLMJQ-HNNXBMFYSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@H](NCC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000423227109 388012051 /nfs/dbraw/zinc/01/20/51/388012051.db2.gz UMTRIWFBWXTZSH-FZMZJTMJSA-N 1 3 236.359 2.473 20 0 BEADHO COc1cccc([C@@H](C)NCC[C@H](C)[NH3+])c1 ZINC000423228581 388013844 /nfs/dbraw/zinc/01/38/44/388013844.db2.gz DEWWUVDIFQHGOS-WDEREUQCSA-N 1 3 222.332 2.083 20 0 BEADHO CC[NH2+]CCNC1CCC(C(F)F)CC1 ZINC000423230434 388015357 /nfs/dbraw/zinc/01/53/57/388015357.db2.gz DMUIYWIYGOEBEJ-UHFFFAOYSA-N 1 3 220.307 2.009 20 0 BEADHO CC[NH2+]CCN[C@@H]1C[C@H](C)CC[C@H]1CC ZINC000423234886 388018911 /nfs/dbraw/zinc/01/89/11/388018911.db2.gz MMEHYDNGAZFZOG-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)Cc1ccoc1 ZINC000423264315 388042720 /nfs/dbraw/zinc/04/27/20/388042720.db2.gz PVWPOIKFBPPPGZ-WCQYABFASA-N 1 3 224.348 2.174 20 0 BEADHO CC(C)O[C@@H]1C[C@@H](NC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000423263343 388042981 /nfs/dbraw/zinc/04/29/81/388042981.db2.gz AZMOFQPZXHWVTA-JHJVBQTASA-N 1 3 242.407 2.151 20 0 BEADHO c1coc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000446891542 388043703 /nfs/dbraw/zinc/04/37/03/388043703.db2.gz ZYZASWQBYVNUHE-UHFFFAOYSA-N 1 3 234.343 2.244 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423245958 388028772 /nfs/dbraw/zinc/02/87/72/388028772.db2.gz YZJSTHJMJJBSPV-AVGNSLFASA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423245958 388028775 /nfs/dbraw/zinc/02/87/75/388028775.db2.gz YZJSTHJMJJBSPV-AVGNSLFASA-N 1 3 228.355 2.246 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C ZINC000423271966 388052093 /nfs/dbraw/zinc/05/20/93/388052093.db2.gz JMZVNNMWNVPPRE-QWRGUYRKSA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000423273273 388054011 /nfs/dbraw/zinc/05/40/11/388054011.db2.gz KNOLHKKIHJPQJX-SDDRHHMPSA-N 1 3 212.381 2.256 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2ccc(C)cc21 ZINC000423274632 388055490 /nfs/dbraw/zinc/05/54/90/388055490.db2.gz MEPKJRWQZXOMBW-SWLSCSKDSA-N 1 3 232.371 2.427 20 0 BEADHO CCC1(CC)[C@H](NC[C@@H]([NH3+])C(C)C)C[C@H]1OC ZINC000423277449 388059076 /nfs/dbraw/zinc/05/90/76/388059076.db2.gz PPUPOWQEZQOPNN-JHJVBQTASA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423279563 388061500 /nfs/dbraw/zinc/06/15/00/388061500.db2.gz RNEYPUVCNWQOJC-BNOWGMLFSA-N 1 3 236.359 2.318 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423280612 388062613 /nfs/dbraw/zinc/06/26/13/388062613.db2.gz UXMUPOCNCWJEAM-UHTWSYAYSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cc([C@@H](C)NCC[C@H]2CCC[NH2+]C2)no1 ZINC000423281930 388063494 /nfs/dbraw/zinc/06/34/94/388063494.db2.gz VYXRFMSLRYITPO-VXGBXAGGSA-N 1 3 237.347 2.023 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423283450 388064769 /nfs/dbraw/zinc/06/47/69/388064769.db2.gz WEIRWKOZZNLVCV-XQHKEYJVSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc2c(c1)COC2 ZINC000423287196 388071335 /nfs/dbraw/zinc/07/13/35/388071335.db2.gz KULXKVSBXRVGDN-JTQLQIEISA-N 1 3 234.343 2.105 20 0 BEADHO CCO[C@@H]1C[C@H](NCC(C)(C)[NH3+])C1(CC)CC ZINC000423286906 388071806 /nfs/dbraw/zinc/07/18/06/388071806.db2.gz JJFWQRNYHGVTQN-NWDGAFQWSA-N 1 3 242.407 2.297 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N)c(C)c1 ZINC000423286646 388071965 /nfs/dbraw/zinc/07/19/65/388071965.db2.gz HXZFOMDOEYHLFU-LLVKDONJSA-N 1 3 236.359 2.392 20 0 BEADHO CC(C)([NH3+])CN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423287673 388072940 /nfs/dbraw/zinc/07/29/40/388072940.db2.gz NVAAYUCKNMYPAY-GXTWGEPZSA-N 1 3 247.386 2.435 20 0 BEADHO CC(C)(N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423287998 388073366 /nfs/dbraw/zinc/07/33/66/388073366.db2.gz PVRANINGYYJEOP-ZDUSSCGKSA-N 1 3 233.359 2.250 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N)CC2 ZINC000423289777 388073946 /nfs/dbraw/zinc/07/39/46/388073946.db2.gz YETIBEKIVJLRGN-ZDUSSCGKSA-N 1 3 234.343 2.009 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000084217910 388074975 /nfs/dbraw/zinc/07/49/75/388074975.db2.gz SZHJUTMGBIUKFH-KBPBESRZSA-N 1 3 218.344 2.212 20 0 BEADHO CCC(N)(CC)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000423291193 388075907 /nfs/dbraw/zinc/07/59/07/388075907.db2.gz HFSLCWLUMRJMHG-NSHDSACASA-N 1 3 224.348 2.318 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])CCCO2 ZINC000423296881 388078614 /nfs/dbraw/zinc/07/86/14/388078614.db2.gz HWBVQSTUCHIECS-GXTWGEPZSA-N 1 3 248.370 2.393 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])CC2 ZINC000423297495 388079263 /nfs/dbraw/zinc/07/92/63/388079263.db2.gz KNBQADDCOZHGAK-SMDDNHRTSA-N 1 3 218.344 2.167 20 0 BEADHO Cc1cc(C)c(C[NH2+]C2CCNCC2)cc1C ZINC000084517095 388079493 /nfs/dbraw/zinc/07/94/93/388079493.db2.gz SWXFASCDDCDMRK-UHFFFAOYSA-N 1 3 232.371 2.453 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NC[C@H](C)C[NH3+])CC2 ZINC000423297494 388080323 /nfs/dbraw/zinc/08/03/23/388080323.db2.gz KNBQADDCOZHGAK-RISCZKNCSA-N 1 3 218.344 2.167 20 0 BEADHO CSC1(C[NH2+]CC2=CCN(C)CC2)CCC1 ZINC000336659805 388087729 /nfs/dbraw/zinc/08/77/29/388087729.db2.gz CHOVSXZXENSAQK-UHFFFAOYSA-N 1 3 240.416 2.124 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423266966 388046021 /nfs/dbraw/zinc/04/60/21/388046021.db2.gz DMNAFMLJFLMRDR-YNEHKIRRSA-N 1 3 242.407 2.024 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000423269139 388048176 /nfs/dbraw/zinc/04/81/76/388048176.db2.gz GSHSMNARHZMQGW-WUHRBBMRSA-N 1 3 212.381 2.256 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000324875042 388125394 /nfs/dbraw/zinc/12/53/94/388125394.db2.gz CPDSLZNPEKIOKM-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@H](C)O1 ZINC000449178570 388153180 /nfs/dbraw/zinc/15/31/80/388153180.db2.gz XPNPLKVPIHHRMZ-ITGHMWBKSA-N 1 3 240.391 2.015 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)O1 ZINC000449178570 388153183 /nfs/dbraw/zinc/15/31/83/388153183.db2.gz XPNPLKVPIHHRMZ-ITGHMWBKSA-N 1 3 240.391 2.015 20 0 BEADHO CC(C)OC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560640 388232189 /nfs/dbraw/zinc/23/21/89/388232189.db2.gz NXZJSZOCIQFJRE-FUDCBSFHSA-N 1 3 240.391 2.015 20 0 BEADHO CC(C)OC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560640 388232191 /nfs/dbraw/zinc/23/21/91/388232191.db2.gz NXZJSZOCIQFJRE-FUDCBSFHSA-N 1 3 240.391 2.015 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451578833 388282704 /nfs/dbraw/zinc/28/27/04/388282704.db2.gz XUPVKUBOFRIWIN-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451578833 388282706 /nfs/dbraw/zinc/28/27/06/388282706.db2.gz XUPVKUBOFRIWIN-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CCC12CCC2 ZINC000521025830 256609340 /nfs/dbraw/zinc/60/93/40/256609340.db2.gz SLKWROIEBDAGAQ-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CCC12CCC2 ZINC000521025830 256609341 /nfs/dbraw/zinc/60/93/41/256609341.db2.gz SLKWROIEBDAGAQ-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CN)[NH2+][C@H]1CCSc2ccccc21 ZINC000235101301 388365103 /nfs/dbraw/zinc/36/51/03/388365103.db2.gz OJXIKAGQLQROLJ-ONGXEEELSA-N 1 3 222.357 2.160 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000572887576 388384763 /nfs/dbraw/zinc/38/47/63/388384763.db2.gz USSUOHFJZKCOKO-YUELXQCFSA-N 1 3 236.403 2.495 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC1(C)C ZINC000336658816 388460318 /nfs/dbraw/zinc/46/03/18/388460318.db2.gz BGFNFGGZFFWHCA-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCOc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336705560 388465617 /nfs/dbraw/zinc/46/56/17/388465617.db2.gz LCOPWXNACSVPQR-NEPJUHHUSA-N 1 3 236.359 2.331 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](N)C2(C)C)c1 ZINC000404781577 388433639 /nfs/dbraw/zinc/43/36/39/388433639.db2.gz NKGGWAXUSVIZLX-CHWSQXEVSA-N 1 3 218.344 2.210 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC12CCCC2 ZINC000573234885 388435015 /nfs/dbraw/zinc/43/50/15/388435015.db2.gz MPXWAVPRYSMZHZ-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CC[NH2+]CCCN[C@H]1CCC12CCCC2 ZINC000573234885 388435016 /nfs/dbraw/zinc/43/50/16/388435016.db2.gz MPXWAVPRYSMZHZ-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000573234884 388435256 /nfs/dbraw/zinc/43/52/56/388435256.db2.gz MPXWAVPRYSMZHZ-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CC[NH2+]CCCN[C@@H]1CCC12CCCC2 ZINC000573234884 388435260 /nfs/dbraw/zinc/43/52/60/388435260.db2.gz MPXWAVPRYSMZHZ-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1CC1(C)C ZINC000397789646 388499779 /nfs/dbraw/zinc/49/97/79/388499779.db2.gz KSYJMSKCIOUJTN-TUAOUCFPSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](CCCC[NH3+])NCc1noc2ccccc12 ZINC000564348510 388531252 /nfs/dbraw/zinc/53/12/52/388531252.db2.gz LODACMFCFVECSQ-NSHDSACASA-N 1 3 247.342 2.435 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)CC)C1 ZINC000245547005 388588239 /nfs/dbraw/zinc/58/82/39/388588239.db2.gz XAFHMGNHQRVWDG-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843891 388614105 /nfs/dbraw/zinc/61/41/05/388614105.db2.gz SYWXCOLVSSPUKJ-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631843891 388614108 /nfs/dbraw/zinc/61/41/08/388614108.db2.gz SYWXCOLVSSPUKJ-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631843891 388614109 /nfs/dbraw/zinc/61/41/09/388614109.db2.gz SYWXCOLVSSPUKJ-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C(C)C ZINC000362975010 388562380 /nfs/dbraw/zinc/56/23/80/388562380.db2.gz CZGUXIHUSHUSFI-QLFBSQMISA-N 1 3 248.370 2.392 20 0 BEADHO CS[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000521192235 388564400 /nfs/dbraw/zinc/56/44/00/388564400.db2.gz OCILFBUQBHIHSM-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000521192235 388564401 /nfs/dbraw/zinc/56/44/01/388564401.db2.gz OCILFBUQBHIHSM-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530176287 388620083 /nfs/dbraw/zinc/62/00/83/388620083.db2.gz AKINQRPZNMKSAE-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530176643 388621315 /nfs/dbraw/zinc/62/13/15/388621315.db2.gz DUTYDDDUOQFXQM-GRYCIOLGSA-N 1 3 208.349 2.049 20 0 BEADHO CCC[C@H](C)C[NH2+][C@H]1CCNC12CCC2 ZINC000530178569 388621327 /nfs/dbraw/zinc/62/13/27/388621327.db2.gz OMJRDBVYGQXPDO-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530177317 388621791 /nfs/dbraw/zinc/62/17/91/388621791.db2.gz FYBJECJREZRIJO-NEPJUHHUSA-N 1 3 222.376 2.439 20 0 BEADHO CCC(CC)C[NH2+][C@H]1CCNC12CCC2 ZINC000530179108 388621944 /nfs/dbraw/zinc/62/19/44/388621944.db2.gz TXLHBEDXFOJJJI-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CNC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC000530207808 388626169 /nfs/dbraw/zinc/62/61/69/388626169.db2.gz DOUQZQDYVDUERR-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO CNC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC000530207808 388626170 /nfs/dbraw/zinc/62/61/70/388626170.db2.gz DOUQZQDYVDUERR-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530206307 388626417 /nfs/dbraw/zinc/62/64/17/388626417.db2.gz AJVYDLUVHZJVKM-YYHQMBLXSA-N 1 3 210.365 2.138 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)OCC ZINC000530206572 388626691 /nfs/dbraw/zinc/62/66/91/388626691.db2.gz APOIPLXOJUFKTD-MJBXVCDLSA-N 1 3 242.407 2.299 20 0 BEADHO COCCC1CC[NH+]([C@H]2CCC[C@H](N)C2)CC1 ZINC000530212177 388627336 /nfs/dbraw/zinc/62/73/36/388627336.db2.gz PLINAWMOTKNOGJ-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO COCCC1CCN([C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000530212177 388627337 /nfs/dbraw/zinc/62/73/37/388627337.db2.gz PLINAWMOTKNOGJ-KBPBESRZSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CC1(C)C ZINC000530217645 388630111 /nfs/dbraw/zinc/63/01/11/388630111.db2.gz URYMNCVXKJUVGO-SDDRHHMPSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H](NCC1CC=CC1)[C@@H]1CCC[NH2+]1 ZINC000530217666 388630128 /nfs/dbraw/zinc/63/01/28/388630128.db2.gz UZTIMXDAEHYCCJ-STQMWFEESA-N 1 3 208.349 2.073 20 0 BEADHO CC[C@H]([NH2+]CC1CC=CC1)[C@@H]1CCCN1 ZINC000530217666 388630129 /nfs/dbraw/zinc/63/01/29/388630129.db2.gz UZTIMXDAEHYCCJ-STQMWFEESA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H](NCC1CC=CC1)[C@@H]1CCCC[NH2+]1 ZINC000530217411 388630558 /nfs/dbraw/zinc/63/05/58/388630558.db2.gz STIMROBEFVYYAC-AAEUAGOBSA-N 1 3 208.349 2.073 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530216353 388630885 /nfs/dbraw/zinc/63/08/85/388630885.db2.gz AXPAGDWQOXAFPT-SDDRHHMPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CC(C)(C)C1 ZINC000530225159 388636019 /nfs/dbraw/zinc/63/60/19/388636019.db2.gz WUSFEQSWPMLIBB-WDEREUQCSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CC(C)(C)C1 ZINC000530225159 388636022 /nfs/dbraw/zinc/63/60/22/388636022.db2.gz WUSFEQSWPMLIBB-WDEREUQCSA-N 1 3 210.365 2.092 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2(C)CC2)C1 ZINC000246886053 388654372 /nfs/dbraw/zinc/65/43/72/388654372.db2.gz FDIJKVHFAQEVSH-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cncs1 ZINC000126247796 388692619 /nfs/dbraw/zinc/69/26/19/388692619.db2.gz LWHUYFXICLVBRC-SNVBAGLBSA-N 1 3 239.388 2.136 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000565226875 388929535 /nfs/dbraw/zinc/92/95/35/388929535.db2.gz OSVUKDXUMKVVAC-QWRGUYRKSA-N 1 3 232.318 2.281 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2F)C1 ZINC000565313673 388937152 /nfs/dbraw/zinc/93/71/52/388937152.db2.gz MNCABZDSHFMZSD-IRCOFANPSA-N 1 3 214.328 2.127 20 0 BEADHO CC[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000572574341 388982532 /nfs/dbraw/zinc/98/25/32/388982532.db2.gz HBLPQQOHERRNPY-HIFRSBDPSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000572574341 388982535 /nfs/dbraw/zinc/98/25/35/388982535.db2.gz HBLPQQOHERRNPY-HIFRSBDPSA-N 1 3 247.386 2.464 20 0 BEADHO C[N@H+]1CC=C(CNCc2ccc(F)cc2)CC1 ZINC000271874091 389026883 /nfs/dbraw/zinc/02/68/83/389026883.db2.gz YTLMNTIGORTPMX-UHFFFAOYSA-N 1 3 234.318 2.177 20 0 BEADHO C[N@@H+]1CC=C(CNCc2ccc(F)cc2)CC1 ZINC000271874091 389026886 /nfs/dbraw/zinc/02/68/86/389026886.db2.gz YTLMNTIGORTPMX-UHFFFAOYSA-N 1 3 234.318 2.177 20 0 BEADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCCC1 ZINC000400378480 533499983 /nfs/dbraw/zinc/49/99/83/533499983.db2.gz JMFGYNGFYSLMHM-MDZLAQPJSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCCC1 ZINC000400378480 533499986 /nfs/dbraw/zinc/49/99/86/533499986.db2.gz JMFGYNGFYSLMHM-MDZLAQPJSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccn1 ZINC000274918801 132204373 /nfs/dbraw/zinc/20/43/73/132204373.db2.gz OTPKBPGOFJQGFP-UKRRQHHQSA-N 1 3 245.370 2.311 20 0 BEADHO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccn1 ZINC000274918801 132204375 /nfs/dbraw/zinc/20/43/75/132204375.db2.gz OTPKBPGOFJQGFP-UKRRQHHQSA-N 1 3 245.370 2.311 20 0 BEADHO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccn1 ZINC000274918797 132204504 /nfs/dbraw/zinc/20/45/04/132204504.db2.gz OTPKBPGOFJQGFP-DZGCQCFKSA-N 1 3 245.370 2.311 20 0 BEADHO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccn1 ZINC000274918797 132204505 /nfs/dbraw/zinc/20/45/05/132204505.db2.gz OTPKBPGOFJQGFP-DZGCQCFKSA-N 1 3 245.370 2.311 20 0 BEADHO C[C@@H]1CN(c2ccnc3ccccc32)CC[C@@H]1[NH3+] ZINC000094342414 132239271 /nfs/dbraw/zinc/23/92/71/132239271.db2.gz WQSGBYFGDNVMSD-YPMHNXCESA-N 1 3 241.338 2.408 20 0 BEADHO Cc1cc(N2CCC([NH3+])CC2)c2ccccc2n1 ZINC000035697517 132268708 /nfs/dbraw/zinc/26/87/08/132268708.db2.gz UUFSENHKHJLEPI-UHFFFAOYSA-N 1 3 241.338 2.471 20 0 BEADHO CC1(C)C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000045116846 132354751 /nfs/dbraw/zinc/35/47/51/132354751.db2.gz RTQDSGZKWSCWOI-AWEZNQCLSA-N 1 3 245.370 2.439 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000052272856 132362148 /nfs/dbraw/zinc/36/21/48/132362148.db2.gz UHCJZRGFPDMTLK-RISCZKNCSA-N 1 3 231.343 2.048 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168519451 134225482 /nfs/dbraw/zinc/22/54/82/134225482.db2.gz PMGFEGCVGCHVNX-GHMZBOCLSA-N 1 3 224.373 2.226 20 0 BEADHO C1CCCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000168708111 134246462 /nfs/dbraw/zinc/24/64/62/134246462.db2.gz BYQGIHLCIULUCR-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO C1CCCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000168708026 134246506 /nfs/dbraw/zinc/24/65/06/134246506.db2.gz BYQGIHLCIULUCR-CYBMUJFWSA-N 1 3 210.365 2.441 20 0 BEADHO c1csc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000168703175 134246535 /nfs/dbraw/zinc/24/65/35/134246535.db2.gz IGRLVJGPKUCEGM-NSHDSACASA-N 1 3 224.373 2.022 20 0 BEADHO c1csc(CC[NH2+][C@H]2CCCNCC2)c1 ZINC000168703175 134246536 /nfs/dbraw/zinc/24/65/36/134246536.db2.gz IGRLVJGPKUCEGM-NSHDSACASA-N 1 3 224.373 2.022 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCCNCC2)CCCS1 ZINC000168774165 134247906 /nfs/dbraw/zinc/24/79/06/134247906.db2.gz WFKCVLPTDWTVHJ-NWDGAFQWSA-N 1 3 228.405 2.004 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000173902828 134278666 /nfs/dbraw/zinc/27/86/66/134278666.db2.gz YVCXIVFZSRNSGZ-KBPBESRZSA-N 1 3 222.376 2.369 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000173902828 134278667 /nfs/dbraw/zinc/27/86/67/134278667.db2.gz YVCXIVFZSRNSGZ-KBPBESRZSA-N 1 3 222.376 2.369 20 0 BEADHO COc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000222075421 134329125 /nfs/dbraw/zinc/32/91/25/134329125.db2.gz ZGYKOAUGHLRSPA-SWLSCSKDSA-N 1 3 248.370 2.125 20 0 BEADHO COc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000222075421 134329126 /nfs/dbraw/zinc/32/91/26/134329126.db2.gz ZGYKOAUGHLRSPA-SWLSCSKDSA-N 1 3 248.370 2.125 20 0 BEADHO C(CC1CCCC1)C[N@@H+]1CCCNCC1 ZINC000226414450 134365704 /nfs/dbraw/zinc/36/57/04/134365704.db2.gz JMFOYKZPRLDZSX-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO C(CC1CCCC1)C[N@H+]1CCCNCC1 ZINC000226414450 134365705 /nfs/dbraw/zinc/36/57/05/134365705.db2.gz JMFOYKZPRLDZSX-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO COc1ccc([C@H](C)N(C)CCC[NH3+])cc1 ZINC000227744294 134392196 /nfs/dbraw/zinc/39/21/96/134392196.db2.gz ZKDIMNBAQPZYBP-NSHDSACASA-N 1 3 222.332 2.037 20 0 BEADHO CC1CC([NH2+]CCCN2CCC(C)CC2)C1 ZINC000231787171 134545398 /nfs/dbraw/zinc/54/53/98/134545398.db2.gz VDHZECOJKGCPEP-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO CCOC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249128302 135035276 /nfs/dbraw/zinc/03/52/76/135035276.db2.gz RMQKLACBZCGNJY-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO CCOC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249128302 135035278 /nfs/dbraw/zinc/03/52/78/135035278.db2.gz RMQKLACBZCGNJY-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000251586182 135072144 /nfs/dbraw/zinc/07/21/44/135072144.db2.gz YYUPDPZZLUYRJG-KBPBESRZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2CCNCC2)C[C@@H](C)C1 ZINC000252100168 135083954 /nfs/dbraw/zinc/08/39/54/135083954.db2.gz IGZACBDQKKCLEO-PJXYFTJBSA-N 1 3 210.365 2.153 20 0 BEADHO C([NH2+][C@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC1 ZINC000086499926 135087263 /nfs/dbraw/zinc/08/72/63/135087263.db2.gz YQHOUZQDMVWJLZ-MCIONIFRSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000252513591 135092150 /nfs/dbraw/zinc/09/21/50/135092150.db2.gz ZMTKJJBHRHCCOM-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H](NC1CCC([NH3+])CC1)c1nccs1 ZINC000086730378 135096090 /nfs/dbraw/zinc/09/60/90/135096090.db2.gz RHGQEURIVLGCGG-ILDUYXDCSA-N 1 3 239.388 2.454 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000252787833 135109814 /nfs/dbraw/zinc/10/98/14/135109814.db2.gz QRRFUAMNLPDOMP-YJRXYDGGSA-N 1 3 202.301 2.129 20 0 BEADHO C[C@H]1CCN(Cc2cccs2)C[C@H]1C[NH3+] ZINC000253183486 135122900 /nfs/dbraw/zinc/12/29/00/135122900.db2.gz GOSSCKJLDSKVQF-WDEREUQCSA-N 1 3 224.373 2.165 20 0 BEADHO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000258804710 135134625 /nfs/dbraw/zinc/13/46/25/135134625.db2.gz CJBDBCIVYHOTPM-GHMZBOCLSA-N 1 3 224.373 2.416 20 0 BEADHO C[C@@H](c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257690571 135139232 /nfs/dbraw/zinc/13/92/32/135139232.db2.gz JBACJOGWDMWQSV-ZFWWWQNUSA-N 1 3 230.355 2.433 20 0 BEADHO Fc1ccccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257709071 135141116 /nfs/dbraw/zinc/14/11/16/135141116.db2.gz SIGBWKJUFXBVFJ-UHFFFAOYSA-N 1 3 248.345 2.401 20 0 BEADHO CCc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261529285 135155290 /nfs/dbraw/zinc/15/52/90/135155290.db2.gz AOBAGDSKDXVXSO-GHMZBOCLSA-N 1 3 206.333 2.074 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)s1 ZINC000261529410 135155984 /nfs/dbraw/zinc/15/59/84/135155984.db2.gz RVDUOBQYFBGZBJ-BBBLOLIVSA-N 1 3 212.362 2.443 20 0 BEADHO C[C@@H]([N@H+](C)C[C@H]1CCCNC1)C1(C)CC1 ZINC000261530606 135157869 /nfs/dbraw/zinc/15/78/69/135157869.db2.gz CURNQZUKQFPNCM-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]([N@@H+](C)C[C@H]1CCCNC1)C1(C)CC1 ZINC000261530606 135157870 /nfs/dbraw/zinc/15/78/70/135157870.db2.gz CURNQZUKQFPNCM-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1[C@H]([NH3+])CCN1C[C@H]1CCC[C@@H](C)C1 ZINC000261530635 135158235 /nfs/dbraw/zinc/15/82/35/135158235.db2.gz CWZZBTQGWYSFDC-MROQNXINSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000261531029 135158962 /nfs/dbraw/zinc/15/89/62/135158962.db2.gz DXNOHFVBMYCCIG-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCCC1 ZINC000261531170 135160014 /nfs/dbraw/zinc/16/00/14/135160014.db2.gz FLOPIFHKIVAEEP-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)NC[C@@H](C)c1ccccc1 ZINC000261531655 135161079 /nfs/dbraw/zinc/16/10/79/135161079.db2.gz HKLLTGQAVHNDHM-IJLUTSLNSA-N 1 3 206.333 2.115 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000087647688 135161460 /nfs/dbraw/zinc/16/14/60/135161460.db2.gz HEEYBSKTDRCCHH-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)[C@H](C)C1 ZINC000087647294 135161463 /nfs/dbraw/zinc/16/14/63/135161463.db2.gz IGYZBENVAABSJN-SYQHCUMBSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]1CN(CC2CCC(C)CC2)C[C@H]1[NH3+] ZINC000261531874 135161631 /nfs/dbraw/zinc/16/16/31/135161631.db2.gz IDYCQYCDURYUMF-PYNQCMFNSA-N 1 3 210.365 2.092 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000261532377 135162577 /nfs/dbraw/zinc/16/25/77/135162577.db2.gz AFMCSOSOKCQECM-RWMBFGLXSA-N 1 3 242.432 2.392 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000087682942 135164216 /nfs/dbraw/zinc/16/42/16/135164216.db2.gz MXKZNYGZJMQMJP-RWMBFGLXSA-N 1 3 242.432 2.379 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](N)C2)c(C)c1 ZINC000261534311 135166666 /nfs/dbraw/zinc/16/66/66/135166666.db2.gz PVDVYHSYHAJGHT-GXTWGEPZSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](N)C2)c(C)c1 ZINC000261534311 135166668 /nfs/dbraw/zinc/16/66/68/135166668.db2.gz PVDVYHSYHAJGHT-GXTWGEPZSA-N 1 3 218.344 2.082 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000261536501 135172127 /nfs/dbraw/zinc/17/21/27/135172127.db2.gz RZEGZUTXLGLUGV-MROQNXINSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)CC1 ZINC000261536977 135172941 /nfs/dbraw/zinc/17/29/41/135172941.db2.gz ULBIUFNMPDAOQF-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000261538479 135176152 /nfs/dbraw/zinc/17/61/52/135176152.db2.gz YGBVPRXODRERLQ-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000261538374 135176286 /nfs/dbraw/zinc/17/62/86/135176286.db2.gz XWGFWHCZJIHZGQ-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538374 135176287 /nfs/dbraw/zinc/17/62/87/135176287.db2.gz XWGFWHCZJIHZGQ-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000261538373 135176678 /nfs/dbraw/zinc/17/66/78/135176678.db2.gz XWGFWHCZJIHZGQ-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538373 135176680 /nfs/dbraw/zinc/17/66/80/135176680.db2.gz XWGFWHCZJIHZGQ-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000261538779 135177048 /nfs/dbraw/zinc/17/70/48/135177048.db2.gz ZHEQYJQCLGTVCK-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2)[C@H](C)C1 ZINC000261538779 135177049 /nfs/dbraw/zinc/17/70/49/135177049.db2.gz ZHEQYJQCLGTVCK-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261550764 135189382 /nfs/dbraw/zinc/18/93/82/135189382.db2.gz QJJCELYJVZYYEX-GOEBONIOSA-N 1 3 244.382 2.261 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000084217772 135193209 /nfs/dbraw/zinc/19/32/09/135193209.db2.gz DZMLAVGRKJTVIB-ZYHUDNBSSA-N 1 3 224.373 2.008 20 0 BEADHO CCc1ccccc1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261554053 135193687 /nfs/dbraw/zinc/19/36/87/135193687.db2.gz AOXVSQNJHNTAEQ-ZBFHGGJFSA-N 1 3 244.382 2.290 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccccc1 ZINC000261556492 135196927 /nfs/dbraw/zinc/19/69/27/135196927.db2.gz QVGKOKUJVJTMRN-AWEZNQCLSA-N 1 3 236.359 2.028 20 0 BEADHO C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261558244 135198666 /nfs/dbraw/zinc/19/86/66/135198666.db2.gz DBXMRYFZEVHEII-QPKOPYBWSA-N 1 3 246.354 2.146 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000261558089 135198916 /nfs/dbraw/zinc/19/89/16/135198916.db2.gz SGHYVCKLMWNWEF-MNOVXSKESA-N 1 3 229.327 2.060 20 0 BEADHO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c2ccccc2n1 ZINC000261562602 135204070 /nfs/dbraw/zinc/20/40/70/135204070.db2.gz GNFVTDZSDCNIIE-WCQYABFASA-N 1 3 241.338 2.469 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(C)(C)O ZINC000261565385 135207686 /nfs/dbraw/zinc/20/76/86/135207686.db2.gz YHTZCBYCWZMHEN-CHWSQXEVSA-N 1 3 242.407 2.048 20 0 BEADHO Cc1ccccc1C[C@H](C)N[C@H](C)[C@H](C)[NH3+] ZINC000261568615 135210512 /nfs/dbraw/zinc/21/05/12/135210512.db2.gz FQOYLXKHECKHQT-RWMBFGLXSA-N 1 3 220.360 2.251 20 0 BEADHO CCSCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000164012730 135211847 /nfs/dbraw/zinc/21/18/47/135211847.db2.gz KMJVVIQMIYHQLA-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CCSCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164012730 135211849 /nfs/dbraw/zinc/21/18/49/135211849.db2.gz KMJVVIQMIYHQLA-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1ccc(F)cc1 ZINC000261572839 135214892 /nfs/dbraw/zinc/21/48/92/135214892.db2.gz IJKRPGZGKQCBNE-GMTAPVOTSA-N 1 3 224.323 2.082 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@H](N)[C@@H]2C)c1C ZINC000261576595 135217614 /nfs/dbraw/zinc/21/76/14/135217614.db2.gz KKGGXUAVNQYDLW-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@H](N)[C@@H]2C)c1C ZINC000261576595 135217615 /nfs/dbraw/zinc/21/76/15/135217615.db2.gz KKGGXUAVNQYDLW-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@@H](N)[C@H]2C)c1C ZINC000261576597 135217748 /nfs/dbraw/zinc/21/77/48/135217748.db2.gz KKGGXUAVNQYDLW-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@@H](N)[C@H]2C)c1C ZINC000261576597 135217749 /nfs/dbraw/zinc/21/77/49/135217749.db2.gz KKGGXUAVNQYDLW-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO C1CCC2(C1)CCCC[C@@H]2[NH2+][C@@H]1CCNC1 ZINC000261576366 135217860 /nfs/dbraw/zinc/21/78/60/135217860.db2.gz KISVFLIPUCRRBP-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC[C@H]2C)[C@H]1C ZINC000261579860 135220820 /nfs/dbraw/zinc/22/08/20/135220820.db2.gz MMOFBQOOYKBZPI-PEBLQZBPSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000261581569 135222495 /nfs/dbraw/zinc/22/24/95/135222495.db2.gz QSNZEXOQHWFZSE-KBMXLJTQSA-N 1 3 244.382 2.474 20 0 BEADHO CC1CCC(C[NH2+][C@@H]2CCNC[C@H]2C)CC1 ZINC000261582807 135223640 /nfs/dbraw/zinc/22/36/40/135223640.db2.gz OSIRHHWQUXRDMM-FKZOYECMSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cc(F)ccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261585269 135225664 /nfs/dbraw/zinc/22/56/64/135225664.db2.gz SYCOEISHVRGNQR-AEGPPILISA-N 1 3 248.345 2.303 20 0 BEADHO Cc1cc(F)ccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261585272 135225799 /nfs/dbraw/zinc/22/57/99/135225799.db2.gz SYCOEISHVRGNQR-QEJZJMRPSA-N 1 3 248.345 2.303 20 0 BEADHO [NH3+][C@@H]1CC[C@@H]2CN(C/C=C/c3ccccc3)C[C@@H]12 ZINC000261589262 135229942 /nfs/dbraw/zinc/22/99/42/135229942.db2.gz WEYFXHHMOUYZGT-BKBYIFCJSA-N 1 3 242.366 2.369 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000261546362 135238490 /nfs/dbraw/zinc/23/84/90/135238490.db2.gz KWYUBRNJUFHSOI-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCCNC1 ZINC000261546362 135238491 /nfs/dbraw/zinc/23/84/91/135238491.db2.gz KWYUBRNJUFHSOI-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO CCN(CCC1CC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547958 135240882 /nfs/dbraw/zinc/24/08/82/135240882.db2.gz MWZXEZFLNHGMEZ-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CC[C@@]2(CCN(C[C@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742115 135248918 /nfs/dbraw/zinc/24/89/18/135248918.db2.gz IPYBQJWJXJRRKF-RBSFLKMASA-N 1 3 236.403 2.498 20 0 BEADHO Cc1ccc(CCN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261754116 135249802 /nfs/dbraw/zinc/24/98/02/135249802.db2.gz LKAJZHDAFGZPQC-HNNXBMFYSA-N 1 3 232.371 2.208 20 0 BEADHO CCC[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261756366 135250141 /nfs/dbraw/zinc/25/01/41/135250141.db2.gz KXDZCGZFQXKGMY-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CS[C@@H]1CCCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261759659 135250909 /nfs/dbraw/zinc/25/09/09/135250909.db2.gz LDLMSKSTNMGGJA-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)CC1(C)C ZINC000261813352 135255553 /nfs/dbraw/zinc/25/55/53/135255553.db2.gz HVAWEDALHFXRML-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)CC1(C)C ZINC000261813352 135255554 /nfs/dbraw/zinc/25/55/54/135255554.db2.gz HVAWEDALHFXRML-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261984038 135269783 /nfs/dbraw/zinc/26/97/83/135269783.db2.gz JMJBEQXJISNDLP-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO NCC[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000262990136 135325439 /nfs/dbraw/zinc/32/54/39/135325439.db2.gz NOUSLCSHYOBKIR-INIZCTEOSA-N 1 3 244.382 2.315 20 0 BEADHO NCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000262990136 135325440 /nfs/dbraw/zinc/32/54/40/135325440.db2.gz NOUSLCSHYOBKIR-INIZCTEOSA-N 1 3 244.382 2.315 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@H]21 ZINC000348253792 136057519 /nfs/dbraw/zinc/05/75/19/136057519.db2.gz FNDHLNSTAPQOMF-KKJSVHSVSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@H]21 ZINC000348253792 136057520 /nfs/dbraw/zinc/05/75/20/136057520.db2.gz FNDHLNSTAPQOMF-KKJSVHSVSA-N 1 3 244.329 2.102 20 0 BEADHO CC1(F)CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000335373836 136084710 /nfs/dbraw/zinc/08/47/10/136084710.db2.gz OHBCBYZXPSWXOA-QCXCNERSSA-N 1 3 226.339 2.093 20 0 BEADHO CC1(F)CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000335373836 136084711 /nfs/dbraw/zinc/08/47/11/136084711.db2.gz OHBCBYZXPSWXOA-QCXCNERSSA-N 1 3 226.339 2.093 20 0 BEADHO Cc1cccc(C[N@@H+](C)C2CCNCC2)c1C ZINC000335383296 136088164 /nfs/dbraw/zinc/08/81/64/136088164.db2.gz FBTJJXQJARWAPZ-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@H+](C)C2CCNCC2)c1C ZINC000335383296 136088165 /nfs/dbraw/zinc/08/81/65/136088165.db2.gz FBTJJXQJARWAPZ-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1CNC1 ZINC000335551593 136098019 /nfs/dbraw/zinc/09/80/19/136098019.db2.gz KBXDTSBTDHWMRL-ZYHUDNBSSA-N 1 3 210.365 2.010 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC1CC(c2ccccc2)C1 ZINC000335562404 136106861 /nfs/dbraw/zinc/10/68/61/136106861.db2.gz VZMNMPHSWGCCRV-CVSAEHQPSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCNCC1 ZINC000335568958 136108573 /nfs/dbraw/zinc/10/85/73/136108573.db2.gz PCZKTZUIPVQUGA-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCNCC1 ZINC000335568960 136108599 /nfs/dbraw/zinc/10/85/99/136108599.db2.gz PCZKTZUIPVQUGA-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](N)C1(C)C)c1ccccc1 ZINC000404806258 397734763 /nfs/dbraw/zinc/73/47/63/397734763.db2.gz YNXQUBXJMXKOQW-DRZSPHRISA-N 1 3 218.344 2.463 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000380746777 397883935 /nfs/dbraw/zinc/88/39/35/397883935.db2.gz SUURLBFAFWATPP-NQBHXWOUSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1cccs1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000380746777 397883940 /nfs/dbraw/zinc/88/39/40/397883940.db2.gz SUURLBFAFWATPP-NQBHXWOUSA-N 1 3 238.400 2.267 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](Nc2ccnc3ccccc32)C1 ZINC000382460030 397951245 /nfs/dbraw/zinc/95/12/45/397951245.db2.gz URADUHFKVCDZGB-NEPJUHHUSA-N 1 3 241.338 2.339 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000382460031 397951315 /nfs/dbraw/zinc/95/13/15/397951315.db2.gz URADUHFKVCDZGB-NWDGAFQWSA-N 1 3 241.338 2.339 20 0 BEADHO Cc1cc(C)cc(OCC[NH2+]CC2(N)CCC2)c1 ZINC000647907556 397952695 /nfs/dbraw/zinc/95/26/95/397952695.db2.gz UKFBBBZRHFFRDF-UHFFFAOYSA-N 1 3 248.370 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCN)C1 ZINC000390477605 397891164 /nfs/dbraw/zinc/89/11/64/397891164.db2.gz LJEXWSGWVJYGOE-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCN)C1 ZINC000390477605 397891167 /nfs/dbraw/zinc/89/11/67/397891167.db2.gz LJEXWSGWVJYGOE-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](CCN(C)CCC[NH3+])C1 ZINC000390477605 397891168 /nfs/dbraw/zinc/89/11/68/397891168.db2.gz LJEXWSGWVJYGOE-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](CC[N@H+](C)CCCN)C1 ZINC000390477604 397891206 /nfs/dbraw/zinc/89/12/06/397891206.db2.gz LJEXWSGWVJYGOE-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCN)C1 ZINC000390477604 397891207 /nfs/dbraw/zinc/89/12/07/397891207.db2.gz LJEXWSGWVJYGOE-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](CCN(C)CCC[NH3+])C1 ZINC000390477604 397891209 /nfs/dbraw/zinc/89/12/09/397891209.db2.gz LJEXWSGWVJYGOE-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO N[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659163 398007710 /nfs/dbraw/zinc/00/77/10/398007710.db2.gz SFXAMAQQTSORPN-KKUMJFAQSA-N 1 3 230.355 2.213 20 0 BEADHO N[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659163 398007714 /nfs/dbraw/zinc/00/77/14/398007714.db2.gz SFXAMAQQTSORPN-KKUMJFAQSA-N 1 3 230.355 2.213 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccccc1F ZINC000414851555 398059559 /nfs/dbraw/zinc/05/95/59/398059559.db2.gz PISVINQRJWRIIA-NWDGAFQWSA-N 1 3 238.350 2.202 20 0 BEADHO C[C@@H](NC1CCC([NH3+])CC1)c1ccco1 ZINC000051693188 398057217 /nfs/dbraw/zinc/05/72/17/398057217.db2.gz ATRGEZAPTSAXQR-KPPDAEKUSA-N 1 3 208.305 2.200 20 0 BEADHO CCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414925335 398103788 /nfs/dbraw/zinc/10/37/88/398103788.db2.gz LOUVAYPEQJWNGH-KBPBESRZSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCC2)C[C@@H]1CN ZINC000397321473 398120701 /nfs/dbraw/zinc/12/07/01/398120701.db2.gz SXUIMHBGRVDDCH-MDZLAQPJSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCC2)C[C@@H]1CN ZINC000397321473 398120704 /nfs/dbraw/zinc/12/07/04/398120704.db2.gz SXUIMHBGRVDDCH-MDZLAQPJSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[N@H+](CC2(C)CCC2)CC[C@@H]1N ZINC000389693477 398125202 /nfs/dbraw/zinc/12/52/02/398125202.db2.gz IFOAPNIPAXYCBQ-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1N ZINC000389693477 398125204 /nfs/dbraw/zinc/12/52/04/398125204.db2.gz IFOAPNIPAXYCBQ-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CN(CC2(C)CCC2)CC[C@@H]1[NH3+] ZINC000389693477 398125205 /nfs/dbraw/zinc/12/52/05/398125205.db2.gz IFOAPNIPAXYCBQ-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@H]1N ZINC000382254336 487536042 /nfs/dbraw/zinc/53/60/42/487536042.db2.gz VVZDTUNYIIWSMK-WCQYABFASA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@H]1N ZINC000382254336 487536044 /nfs/dbraw/zinc/53/60/44/487536044.db2.gz VVZDTUNYIIWSMK-WCQYABFASA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1CN(CCC(C)(C)C2CC2)CC[C@H]1[NH3+] ZINC000382254336 487536045 /nfs/dbraw/zinc/53/60/45/487536045.db2.gz VVZDTUNYIIWSMK-WCQYABFASA-N 1 3 224.392 2.482 20 0 BEADHO NCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000334859475 487572095 /nfs/dbraw/zinc/57/20/95/487572095.db2.gz ZBOWYESBRNDSMN-CYBMUJFWSA-N 1 3 208.349 2.158 20 0 BEADHO NCCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000334859475 487572104 /nfs/dbraw/zinc/57/21/04/487572104.db2.gz ZBOWYESBRNDSMN-CYBMUJFWSA-N 1 3 208.349 2.158 20 0 BEADHO CC(C)OCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000160050224 167244496 /nfs/dbraw/zinc/24/44/96/167244496.db2.gz VALGQLMYHBEMHX-UONOGXRCSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@H](C[NH2+][C@H]1CS[C@H](C)C1)CN1CCCC1 ZINC000086935926 487587300 /nfs/dbraw/zinc/58/73/00/487587300.db2.gz QNCZCNDCSNBKMN-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H](CN[C@H]1CS[C@H](C)C1)C[NH+]1CCCC1 ZINC000086935926 487587305 /nfs/dbraw/zinc/58/73/05/487587305.db2.gz QNCZCNDCSNBKMN-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265604 409563832 /nfs/dbraw/zinc/56/38/32/409563832.db2.gz SDGNNQZPKNRPBN-LJIZCISZSA-N 1 3 248.414 2.497 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662244084 409534836 /nfs/dbraw/zinc/53/48/36/409534836.db2.gz GLQCSASNHIOFRR-QNSTZXKLSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662244084 409534842 /nfs/dbraw/zinc/53/48/42/409534842.db2.gz GLQCSASNHIOFRR-QNSTZXKLSA-N 1 3 222.376 2.092 20 0 BEADHO CO[C@@H](CN(C)CC(C)(C)C[NH3+])C1CCCC1 ZINC000662247904 409545448 /nfs/dbraw/zinc/54/54/48/409545448.db2.gz ODKGBZMWEAJDTE-ZDUSSCGKSA-N 1 3 242.407 2.108 20 0 BEADHO CO[C@@H](C[N@H+](C)CC(C)(C)CN)C1CCCC1 ZINC000662247904 409545455 /nfs/dbraw/zinc/54/54/55/409545455.db2.gz ODKGBZMWEAJDTE-ZDUSSCGKSA-N 1 3 242.407 2.108 20 0 BEADHO CO[C@@H](C[N@@H+](C)CC(C)(C)CN)C1CCCC1 ZINC000662247904 409545462 /nfs/dbraw/zinc/54/54/62/409545462.db2.gz ODKGBZMWEAJDTE-ZDUSSCGKSA-N 1 3 242.407 2.108 20 0 BEADHO CC[C@@H]1CN(CCC=C(C)C)CC[C@H]1[NH3+] ZINC000662269672 409572929 /nfs/dbraw/zinc/57/29/29/409572929.db2.gz CVFFTEVARRAWNN-CHWSQXEVSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@@H]1C[N@H+](CCC=C(C)C)CC[C@H]1N ZINC000662269672 409572937 /nfs/dbraw/zinc/57/29/37/409572937.db2.gz CVFFTEVARRAWNN-CHWSQXEVSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@@H]1C[N@@H+](CCC=C(C)C)CC[C@H]1N ZINC000662269672 409572942 /nfs/dbraw/zinc/57/29/42/409572942.db2.gz CVFFTEVARRAWNN-CHWSQXEVSA-N 1 3 210.365 2.402 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272621 409576664 /nfs/dbraw/zinc/57/66/64/409576664.db2.gz GXRCAYTYSXGQPE-XJFOESAGSA-N 1 3 222.376 2.236 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272621 409576672 /nfs/dbraw/zinc/57/66/72/409576672.db2.gz GXRCAYTYSXGQPE-XJFOESAGSA-N 1 3 222.376 2.236 20 0 BEADHO CO[C@H](CN[C@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277282 409590564 /nfs/dbraw/zinc/59/05/64/409590564.db2.gz PEJVNZFPMCMMCW-CHWSQXEVSA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000662282907 409607398 /nfs/dbraw/zinc/60/73/98/409607398.db2.gz DGAUQYCKLCWKPF-MXWKQRLJSA-N 1 3 234.334 2.479 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CCCC1CCC1 ZINC000662284755 409615171 /nfs/dbraw/zinc/61/51/71/409615171.db2.gz PGFADEHBDLHCQR-WCQYABFASA-N 1 3 210.365 2.378 20 0 BEADHO CC(C)SCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304325758 167331336 /nfs/dbraw/zinc/33/13/36/167331336.db2.gz SVLFBSJFILVEQY-OLZOCXBDSA-N 1 3 242.432 2.344 20 0 BEADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000259112283 409731855 /nfs/dbraw/zinc/73/18/55/409731855.db2.gz SSIHJGZCBADNPB-ZIAGYGMSSA-N 1 3 234.343 2.055 20 0 BEADHO CC(C)SCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304325758 167331332 /nfs/dbraw/zinc/33/13/32/167331332.db2.gz SVLFBSJFILVEQY-OLZOCXBDSA-N 1 3 242.432 2.344 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@H]([C@H](C)N)C1)C(C)(C)C ZINC000308778196 409904854 /nfs/dbraw/zinc/90/48/54/409904854.db2.gz BITYDJCGAZNBRK-SRVKXCTJSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@H]([C@H](C)N)C1)C(C)(C)C ZINC000308778196 409904860 /nfs/dbraw/zinc/90/48/60/409904860.db2.gz BITYDJCGAZNBRK-SRVKXCTJSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H]1CN(CCCCCF)CC[C@H]1[NH3+] ZINC000308916723 409936205 /nfs/dbraw/zinc/93/62/05/409936205.db2.gz INEBBGKPIJBPOK-NWDGAFQWSA-N 1 3 216.344 2.185 20 0 BEADHO C[C@@H]1C[C@H]1CNCc1ccc(C[NH3+])cc1F ZINC000650717073 410355193 /nfs/dbraw/zinc/35/51/93/410355193.db2.gz QZSVQCSUMACINP-SKDRFNHKSA-N 1 3 222.307 2.030 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc2c1CCC2)[C@H](C)N ZINC000650703639 410332499 /nfs/dbraw/zinc/33/24/99/410332499.db2.gz JXHAAOGVLLDZPG-WDEREUQCSA-N 1 3 218.344 2.001 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000650703636 410332553 /nfs/dbraw/zinc/33/25/53/410332553.db2.gz JXHAAOGVLLDZPG-GHMZBOCLSA-N 1 3 218.344 2.001 20 0 BEADHO NC1(C[NH2+]Cc2cccc3c2CCC3)CCC1 ZINC000650703522 410333175 /nfs/dbraw/zinc/33/31/75/410333175.db2.gz DBPXZJJRZMLNOZ-UHFFFAOYSA-N 1 3 230.355 2.146 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703864 410336153 /nfs/dbraw/zinc/33/61/53/410336153.db2.gz VOULDSMBYVILMX-MLGOLLRUSA-N 1 3 244.382 2.263 20 0 BEADHO [NH3+]CC1(CCNCc2ccc(F)cc2F)CC1 ZINC000650711974 410342668 /nfs/dbraw/zinc/34/26/68/410342668.db2.gz LFNIJAJTIZROFF-UHFFFAOYSA-N 1 3 240.297 2.183 20 0 BEADHO Cc1ccc([C@@H](C)NCCC2(C[NH3+])CC2)o1 ZINC000650743656 410377850 /nfs/dbraw/zinc/37/78/50/410377850.db2.gz YKMFKDNZPCJAHH-LLVKDONJSA-N 1 3 222.332 2.368 20 0 BEADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccc(F)cn1 ZINC000650745906 410385626 /nfs/dbraw/zinc/38/56/26/410385626.db2.gz QQAURNKXEHHVLX-SNVBAGLBSA-N 1 3 237.322 2.000 20 0 BEADHO CN(C[C@@H]1CCC[N@@H+]1C)c1nccc2[nH]ccc21 ZINC000664029574 410437900 /nfs/dbraw/zinc/43/79/00/410437900.db2.gz RAXVZCQUTBHRDF-NSHDSACASA-N 1 3 244.342 2.093 20 0 BEADHO CN(C[C@@H]1CCC[N@H+]1C)c1nccc2[nH]ccc21 ZINC000664029574 410437907 /nfs/dbraw/zinc/43/79/07/410437907.db2.gz RAXVZCQUTBHRDF-NSHDSACASA-N 1 3 244.342 2.093 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000665283611 410765329 /nfs/dbraw/zinc/76/53/29/410765329.db2.gz QTASPWLDAXWSLE-NEPJUHHUSA-N 1 3 222.332 2.072 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCCc2ccco2)C1 ZINC000665283611 410765336 /nfs/dbraw/zinc/76/53/36/410765336.db2.gz QTASPWLDAXWSLE-NEPJUHHUSA-N 1 3 222.332 2.072 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000665283614 410766995 /nfs/dbraw/zinc/76/69/95/410766995.db2.gz QTASPWLDAXWSLE-VXGBXAGGSA-N 1 3 222.332 2.072 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2ccco2)C1 ZINC000665283614 410767005 /nfs/dbraw/zinc/76/70/05/410767005.db2.gz QTASPWLDAXWSLE-VXGBXAGGSA-N 1 3 222.332 2.072 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)CN(C)C ZINC000308879796 410785762 /nfs/dbraw/zinc/78/57/62/410785762.db2.gz DUAHRNUVFZEMOQ-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO COc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000665294854 410787578 /nfs/dbraw/zinc/78/75/78/410787578.db2.gz XPGCKEHSDMXZON-TZMCWYRMSA-N 1 3 248.370 2.221 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1CCCF ZINC000665297885 410824718 /nfs/dbraw/zinc/82/47/18/410824718.db2.gz NKUWJERLURFHND-TUAOUCFPSA-N 1 3 216.344 2.102 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000338299362 169775198 /nfs/dbraw/zinc/77/51/98/169775198.db2.gz ZGSLUHUTRDRJIO-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000052380105 167003948 /nfs/dbraw/zinc/00/39/48/167003948.db2.gz JSSLNGAUHRZVNL-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000053664704 167099773 /nfs/dbraw/zinc/09/97/73/167099773.db2.gz OHWPGGNQPVWHRS-UHFFFAOYSA-N 1 3 233.359 2.296 20 0 BEADHO CC(C)SCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000309223827 167329852 /nfs/dbraw/zinc/32/98/52/167329852.db2.gz RITBMDUBBOKDBF-YHWZYXNKSA-N 1 3 242.432 2.343 20 0 BEADHO CC(C)SCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309223827 167329854 /nfs/dbraw/zinc/32/98/54/167329854.db2.gz RITBMDUBBOKDBF-YHWZYXNKSA-N 1 3 242.432 2.343 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CSC[C@@H]1C ZINC000651865232 411148158 /nfs/dbraw/zinc/14/81/58/411148158.db2.gz RDKCXAAOHKVTSR-STQMWFEESA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CSC[C@@H]1C ZINC000651865232 411148159 /nfs/dbraw/zinc/14/81/59/411148159.db2.gz RDKCXAAOHKVTSR-STQMWFEESA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CSC[C@@H]1C ZINC000651865232 411148160 /nfs/dbraw/zinc/14/81/60/411148160.db2.gz RDKCXAAOHKVTSR-STQMWFEESA-N 1 3 244.448 2.305 20 0 BEADHO NCCC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000655948836 411161130 /nfs/dbraw/zinc/16/11/30/411161130.db2.gz FRDLYCVHWGLLMY-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000655948836 411161132 /nfs/dbraw/zinc/16/11/32/411161132.db2.gz FRDLYCVHWGLLMY-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652221211 411175612 /nfs/dbraw/zinc/17/56/12/411175612.db2.gz SZNJJQUVCVTSHM-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO c1cc2c(c(CNCCC[NH+]3CCC3)c1)CCC2 ZINC000655754233 411184106 /nfs/dbraw/zinc/18/41/06/411184106.db2.gz NSXMFTYSCHDFHW-UHFFFAOYSA-N 1 3 244.382 2.361 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCSCC1)CN(C)C ZINC000658018452 411198889 /nfs/dbraw/zinc/19/88/89/411198889.db2.gz QSYPHZIEBYZAJB-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCSCC1)CN(C)C ZINC000658018447 411198968 /nfs/dbraw/zinc/19/89/68/411198968.db2.gz QSYPHZIEBYZAJB-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO Cc1ccccc1CN1CCC(C)([NH3+])CC1 ZINC000049816970 411245990 /nfs/dbraw/zinc/24/59/90/411245990.db2.gz VYNNLGGRQUPDHW-UHFFFAOYSA-N 1 3 218.344 2.308 20 0 BEADHO COCCCCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355024 411214926 /nfs/dbraw/zinc/21/49/26/411214926.db2.gz MYTHCFBWJZHZNO-UONOGXRCSA-N 1 3 242.407 2.252 20 0 BEADHO COCCCCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355024 411214929 /nfs/dbraw/zinc/21/49/29/411214929.db2.gz MYTHCFBWJZHZNO-UONOGXRCSA-N 1 3 242.407 2.252 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423307129 411238851 /nfs/dbraw/zinc/23/88/51/411238851.db2.gz MMZLZRVGLLBHLI-NFAWXSAZSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H](c1ccncc1)N1CCC(CC[NH3+])CC1 ZINC000070183652 411240030 /nfs/dbraw/zinc/24/00/30/411240030.db2.gz SVICAVLZDDEAII-GFCCVEGCSA-N 1 3 233.359 2.203 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](C)c1ccccn1 ZINC000656782020 411360381 /nfs/dbraw/zinc/36/03/81/411360381.db2.gz CQPFEEXOGQDTOR-MGPQQGTHSA-N 1 3 247.386 2.305 20 0 BEADHO FC1(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000656785866 411364393 /nfs/dbraw/zinc/36/43/93/411364393.db2.gz KHNNQJWDZMUNFR-CYBMUJFWSA-N 1 3 240.366 2.200 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)C[C@H]1C ZINC000656787996 411367054 /nfs/dbraw/zinc/36/70/54/411367054.db2.gz DALAORDJZASFSE-MQYQWHSLSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCNC1 ZINC000656788230 411367127 /nfs/dbraw/zinc/36/71/27/411367127.db2.gz XTTFRFQIQSMPEX-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO NCCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656790634 411370644 /nfs/dbraw/zinc/37/06/44/411370644.db2.gz FQLXAUVCVXEVES-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO NCCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656790634 411370648 /nfs/dbraw/zinc/37/06/48/411370648.db2.gz FQLXAUVCVXEVES-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@]1(CN2CCC[C@@H](CCF)C2)CC[NH2+]C1 ZINC000656792232 411371863 /nfs/dbraw/zinc/37/18/63/411371863.db2.gz PUHYGXMZPWHWJN-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000403324498 411341925 /nfs/dbraw/zinc/34/19/25/411341925.db2.gz NHWMKFWSTAXABL-RYMFRWLXSA-N 1 3 222.376 2.295 20 0 BEADHO CC1(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000336744132 168021537 /nfs/dbraw/zinc/02/15/37/168021537.db2.gz PVEDFGALRKHUCT-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000336744132 168021533 /nfs/dbraw/zinc/02/15/33/168021533.db2.gz PVEDFGALRKHUCT-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000336744132 168021534 /nfs/dbraw/zinc/02/15/34/168021534.db2.gz PVEDFGALRKHUCT-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CC1=CC[C@H]([NH2+]CC2=CCN(C)CC2)CC1 ZINC000285274557 168120777 /nfs/dbraw/zinc/12/07/77/168120777.db2.gz QZKKOIMNEFLQOR-AWEZNQCLSA-N 1 3 220.360 2.337 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCC(C)CC1 ZINC000126795877 168153196 /nfs/dbraw/zinc/15/31/96/168153196.db2.gz UGWOEEBBRLWTCZ-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCC(C)CC1 ZINC000126795877 168153197 /nfs/dbraw/zinc/15/31/97/168153197.db2.gz UGWOEEBBRLWTCZ-YIOUJQMASA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(N(C)C[C@H]2CC[NH2+]C2)CC1 ZINC000051889638 168159376 /nfs/dbraw/zinc/15/93/76/168159376.db2.gz GQENONUDWHNNHU-CPCZMJQVSA-N 1 3 210.365 2.106 20 0 BEADHO CC1CCN(CCC[NH2+][C@H]2CCSC2)CC1 ZINC000020146237 168178902 /nfs/dbraw/zinc/17/89/02/168178902.db2.gz MWLVSNJYNNDQRZ-ZDUSSCGKSA-N 1 3 242.432 2.204 20 0 BEADHO CC1CC[NH+](CCCN[C@H]2CCSC2)CC1 ZINC000020146237 168178903 /nfs/dbraw/zinc/17/89/03/168178903.db2.gz MWLVSNJYNNDQRZ-ZDUSSCGKSA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)C[C@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000070346240 411392050 /nfs/dbraw/zinc/39/20/50/411392050.db2.gz JFKFUQGOVUVUJN-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)COCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404406131 411394342 /nfs/dbraw/zinc/39/43/42/411394342.db2.gz UZLWCNFQDNEXNM-UONOGXRCSA-N 1 3 242.407 2.108 20 0 BEADHO Cc1ccncc1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404410474 411394865 /nfs/dbraw/zinc/39/48/65/411394865.db2.gz CESGPANJFKOMOZ-DZGCQCFKSA-N 1 3 247.386 2.339 20 0 BEADHO CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414825840 411449822 /nfs/dbraw/zinc/44/98/22/411449822.db2.gz UJEWTUBPAPQBDW-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000415011675 411488093 /nfs/dbraw/zinc/48/80/93/411488093.db2.gz RFTWNRKVEVYCFG-NWDGAFQWSA-N 1 3 236.359 2.299 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC000037731404 170008561 /nfs/dbraw/zinc/00/85/61/170008561.db2.gz IPLYMIOKLANOGR-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C)s2)C1 ZINC000037484276 170015959 /nfs/dbraw/zinc/01/59/59/170015959.db2.gz KOGRKLCIVMRCDU-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000034822368 170159754 /nfs/dbraw/zinc/15/97/54/170159754.db2.gz DEWAQFBNZSECFB-GFCCVEGCSA-N 1 3 236.359 2.298 20 0 BEADHO CC(C)(F)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657645275 411568783 /nfs/dbraw/zinc/56/87/83/411568783.db2.gz QEINEHCLXSVVHO-RYUDHWBXSA-N 1 3 228.355 2.341 20 0 BEADHO CC(C)(F)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657645275 411568785 /nfs/dbraw/zinc/56/87/85/411568785.db2.gz QEINEHCLXSVVHO-RYUDHWBXSA-N 1 3 228.355 2.341 20 0 BEADHO Cc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)ccn1 ZINC000663377434 411642070 /nfs/dbraw/zinc/64/20/70/411642070.db2.gz ACRLREAOLRRBQJ-OAHLLOKOSA-N 1 3 247.386 2.344 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]CC12CC(C1)CN2 ZINC000663497539 411678756 /nfs/dbraw/zinc/67/87/56/411678756.db2.gz HAZCJZYIPLTFGA-NELGMTEASA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC000663497539 411678758 /nfs/dbraw/zinc/67/87/58/411678758.db2.gz HAZCJZYIPLTFGA-NELGMTEASA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)CN3)[C@@H](C)C1 ZINC000663497821 411679349 /nfs/dbraw/zinc/67/93/49/411679349.db2.gz KGKHFYFPOJTHQD-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000663497821 411679350 /nfs/dbraw/zinc/67/93/50/411679350.db2.gz KGKHFYFPOJTHQD-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)(C[NH2+]CC12CC(C1)CN2)c1ccccc1 ZINC000663499513 411682834 /nfs/dbraw/zinc/68/28/34/411682834.db2.gz XQWONRQAAUDRSL-UHFFFAOYSA-N 1 3 244.382 2.306 20 0 BEADHO CC1(C)CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663499552 411683067 /nfs/dbraw/zinc/68/30/67/411683067.db2.gz YGNCLKGGWSOZBT-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663499552 411683072 /nfs/dbraw/zinc/68/30/72/411683072.db2.gz YGNCLKGGWSOZBT-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCC[C@@H](CN[C@@H](C)C[NH2+]C)C1 ZINC000663509432 411689319 /nfs/dbraw/zinc/68/93/19/411689319.db2.gz KJZZZCXZHMZLNL-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@H](C)NC1CCC(C(C)C)CC1 ZINC000663508522 411689956 /nfs/dbraw/zinc/68/99/56/411689956.db2.gz CCKJRYMSBFYDQD-HIFPTAJRSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H](C)CCCC(F)(F)F ZINC000663514157 411695964 /nfs/dbraw/zinc/69/59/64/411695964.db2.gz NQQGLUZISGARKQ-IUCAKERBSA-N 1 3 226.286 2.305 20 0 BEADHO C[NH+](C)C1(CNc2nccc3[nH]ccc32)CCC1 ZINC000663833426 411755952 /nfs/dbraw/zinc/75/59/52/411755952.db2.gz IFHOYJGZJMVPJP-UHFFFAOYSA-N 1 3 244.342 2.459 20 0 BEADHO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2nccc3[nH]ccc32)C1 ZINC000663708325 411727524 /nfs/dbraw/zinc/72/75/24/411727524.db2.gz NNJPTBKOJIQMLC-MFKMUULPSA-N 1 3 244.342 2.315 20 0 BEADHO CC[N@H+]1C[C@@H](C)[C@@H](Nc2nccc3[nH]ccc32)C1 ZINC000663708325 411727526 /nfs/dbraw/zinc/72/75/26/411727526.db2.gz NNJPTBKOJIQMLC-MFKMUULPSA-N 1 3 244.342 2.315 20 0 BEADHO Cc1c[nH+]ccc1NC[C@H]1CCN1C(C)(C)C ZINC000664142380 411870255 /nfs/dbraw/zinc/87/02/55/411870255.db2.gz JHBRCGLKHSDDDQ-GFCCVEGCSA-N 1 3 233.359 2.097 20 0 BEADHO CC[C@@H](CC(F)F)CN1CCC([NH3+])CC1 ZINC000662239711 412037013 /nfs/dbraw/zinc/03/70/13/412037013.db2.gz FWHPMCYKDIBCSE-VIFPVBQESA-N 1 3 220.307 2.091 20 0 BEADHO C([NH2+]C1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1)C1CC1 ZINC000662244010 412039954 /nfs/dbraw/zinc/03/99/54/412039954.db2.gz FQYYNHZRMNYBAN-QDMKHBRRSA-N 1 3 248.414 2.497 20 0 BEADHO CC(C)=CCC[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000662245761 412043495 /nfs/dbraw/zinc/04/34/95/412043495.db2.gz OKZXUSFQLABCMR-QWHCGFSZSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCC[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000662245761 412043498 /nfs/dbraw/zinc/04/34/98/412043498.db2.gz OKZXUSFQLABCMR-QWHCGFSZSA-N 1 3 210.365 2.402 20 0 BEADHO CC(C)=CCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662245761 412043501 /nfs/dbraw/zinc/04/35/01/412043501.db2.gz OKZXUSFQLABCMR-QWHCGFSZSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CCCC2)CC[C@@H]1N ZINC000134106819 412061675 /nfs/dbraw/zinc/06/16/75/412061675.db2.gz NFNSFCFEEKOLCQ-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1N ZINC000134106819 412061679 /nfs/dbraw/zinc/06/16/79/412061679.db2.gz NFNSFCFEEKOLCQ-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO c1ccc([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662282506 412071981 /nfs/dbraw/zinc/07/19/81/412071981.db2.gz AZFZFKFYHOWDPE-GOEBONIOSA-N 1 3 244.382 2.476 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000662282905 412071995 /nfs/dbraw/zinc/07/19/95/412071995.db2.gz DGAUQYCKLCWKPF-GMTAPVOTSA-N 1 3 234.334 2.479 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1 ZINC000662282245 412072053 /nfs/dbraw/zinc/07/20/53/412072053.db2.gz DVWKUZIRSDJNKM-RBSFLKMASA-N 1 3 248.370 2.234 20 0 BEADHO c1ccc([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662282505 412073121 /nfs/dbraw/zinc/07/31/21/412073121.db2.gz AZFZFKFYHOWDPE-GDBMZVCRSA-N 1 3 244.382 2.476 20 0 BEADHO CC[C@H](C)C[NH2+]CCCN1CCCCC1 ZINC000020128882 171284466 /nfs/dbraw/zinc/28/44/66/171284466.db2.gz NHJOYRPXENCDQY-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)OC ZINC000362974753 171393515 /nfs/dbraw/zinc/39/35/15/171393515.db2.gz BPWJVYBYVPLZIE-XUXIUFHCSA-N 1 3 242.407 2.155 20 0 BEADHO CCN(Cc1ccc(C)cc1)C[C@H]1CC[NH2+]C1 ZINC000662304067 412088745 /nfs/dbraw/zinc/08/87/45/412088745.db2.gz FAPGJGHAOHAYOF-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO CC(C)C[C@H](C)CN1CC2CC1(C[NH3+])C2 ZINC000662306334 412090194 /nfs/dbraw/zinc/09/01/94/412090194.db2.gz QOOCJWUIEMKLCJ-HIFPTAJRSA-N 1 3 210.365 2.092 20 0 BEADHO Cc1ccc(C[N@@H+]2CC3CC2(CN)C3)c(C)c1 ZINC000662307262 412092327 /nfs/dbraw/zinc/09/23/27/412092327.db2.gz XZRJMKLYJIHGLD-UHFFFAOYSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C[N@H+]2CC3CC2(CN)C3)c(C)c1 ZINC000662307262 412092331 /nfs/dbraw/zinc/09/23/31/412092331.db2.gz XZRJMKLYJIHGLD-UHFFFAOYSA-N 1 3 230.355 2.227 20 0 BEADHO CCC(CC)CCC[N@H+](C)CCCN ZINC000662315755 412096478 /nfs/dbraw/zinc/09/64/78/412096478.db2.gz HFKJKSRQXKRDKR-UHFFFAOYSA-N 1 3 200.370 2.483 20 0 BEADHO CCC(CC)CCC[N@@H+](C)CCCN ZINC000662315755 412096481 /nfs/dbraw/zinc/09/64/81/412096481.db2.gz HFKJKSRQXKRDKR-UHFFFAOYSA-N 1 3 200.370 2.483 20 0 BEADHO CCC(CC)CCCN(C)CCC[NH3+] ZINC000662315755 412096485 /nfs/dbraw/zinc/09/64/85/412096485.db2.gz HFKJKSRQXKRDKR-UHFFFAOYSA-N 1 3 200.370 2.483 20 0 BEADHO CCC(CC)CCCN(C)C[C@](C)(O)C[NH2+]C ZINC000662317737 412098069 /nfs/dbraw/zinc/09/80/69/412098069.db2.gz RMJGTMBTRRWDQN-CQSZACIVSA-N 1 3 244.423 2.105 20 0 BEADHO CCC(CC)CCC[N@H+](C)C[C@](C)(O)CNC ZINC000662317737 412098071 /nfs/dbraw/zinc/09/80/71/412098071.db2.gz RMJGTMBTRRWDQN-CQSZACIVSA-N 1 3 244.423 2.105 20 0 BEADHO CCC(CC)CCC[N@@H+](C)C[C@](C)(O)CNC ZINC000662317737 412098075 /nfs/dbraw/zinc/09/80/75/412098075.db2.gz RMJGTMBTRRWDQN-CQSZACIVSA-N 1 3 244.423 2.105 20 0 BEADHO CC[C@H](COCC1CC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000665236512 412176118 /nfs/dbraw/zinc/17/61/18/412176118.db2.gz OIVGIZYCBDEIEF-MCIONIFRSA-N 1 3 240.391 2.051 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1=CCCC1 ZINC000665274039 412215026 /nfs/dbraw/zinc/21/50/26/412215026.db2.gz IMEQJYQTHFWTDO-OLZOCXBDSA-N 1 3 208.349 2.346 20 0 BEADHO COCc1csc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000665263456 412205152 /nfs/dbraw/zinc/20/51/52/412205152.db2.gz MLCXYXHZRCZNBV-VHSXEESVSA-N 1 3 242.388 2.110 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000665263048 412205348 /nfs/dbraw/zinc/20/53/48/412205348.db2.gz FDRATALTNLTQEE-QSLWVIQJSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCN1 ZINC000665263048 412205352 /nfs/dbraw/zinc/20/53/52/412205352.db2.gz FDRATALTNLTQEE-QSLWVIQJSA-N 1 3 222.376 2.153 20 0 BEADHO COCc1csc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000665263455 412206357 /nfs/dbraw/zinc/20/63/57/412206357.db2.gz MLCXYXHZRCZNBV-UWVGGRQHSA-N 1 3 242.388 2.110 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000665267234 412210017 /nfs/dbraw/zinc/21/00/17/412210017.db2.gz SIAGYZREEKTJTK-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@H](N)C2)CC1(F)F ZINC000665266855 412210293 /nfs/dbraw/zinc/21/02/93/412210293.db2.gz KXFMJNLRLAOIBK-AXFHLTTASA-N 1 3 232.318 2.281 20 0 BEADHO C[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccccn1 ZINC000665231994 412168079 /nfs/dbraw/zinc/16/80/79/412168079.db2.gz CUYRDYAHPXDTEG-UMVBOHGHSA-N 1 3 247.386 2.435 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1noc2ccccc12 ZINC000665231882 412170396 /nfs/dbraw/zinc/17/03/96/412170396.db2.gz ABCAZDPKJYFCDC-WDEREUQCSA-N 1 3 247.342 2.086 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1noc2ccccc12 ZINC000665231882 412170400 /nfs/dbraw/zinc/17/04/00/412170400.db2.gz ABCAZDPKJYFCDC-WDEREUQCSA-N 1 3 247.342 2.086 20 0 BEADHO [NH3+][C@H]1CCCCC[C@H]1NCC1=CCCC1 ZINC000665274040 412216182 /nfs/dbraw/zinc/21/61/82/412216182.db2.gz IMEQJYQTHFWTDO-QWHCGFSZSA-N 1 3 208.349 2.346 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665279330 412222373 /nfs/dbraw/zinc/22/23/73/412222373.db2.gz ANAABICCSJWKKR-SDDRHHMPSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC12CCC2 ZINC000665282054 412226098 /nfs/dbraw/zinc/22/60/98/412226098.db2.gz PSFYQRVCXLJUQT-VXGBXAGGSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC12CCC2 ZINC000665282054 412226100 /nfs/dbraw/zinc/22/61/00/412226100.db2.gz PSFYQRVCXLJUQT-VXGBXAGGSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1ccoc1 ZINC000665282414 412227427 /nfs/dbraw/zinc/22/74/27/412227427.db2.gz XTRAQBIJJFEDJS-DGCLKSJQSA-N 1 3 224.348 2.174 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)C1CNC1 ZINC000665283643 412229294 /nfs/dbraw/zinc/22/92/94/412229294.db2.gz RMVCEAHFWJBPHW-VXGBXAGGSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)C1CCCCC1 ZINC000665283642 412229318 /nfs/dbraw/zinc/22/93/18/412229318.db2.gz RMVCEAHFWJBPHW-RYUDHWBXSA-N 1 3 224.392 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H]1CCCC12CCCC2 ZINC000665297303 412244199 /nfs/dbraw/zinc/24/41/99/412244199.db2.gz CXDBMLQYHYSNBZ-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@H](C)[C@@H](C)N[C@@H](C)C[NH2+]C ZINC000665298325 412246054 /nfs/dbraw/zinc/24/60/54/412246054.db2.gz UWDGMWCUQCGJMZ-SDDRHHMPSA-N 1 3 200.370 2.399 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)CCC(C)(C)C ZINC000665298429 412246554 /nfs/dbraw/zinc/24/65/54/412246554.db2.gz VXONITORHYNHEC-MNOVXSKESA-N 1 3 200.370 2.399 20 0 BEADHO CCc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245254 171800968 /nfs/dbraw/zinc/80/09/68/171800968.db2.gz CJOZKHJYPOJMTI-AWEZNQCLSA-N 1 3 218.344 2.030 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC2(CC2)CC1 ZINC000363459912 173028046 /nfs/dbraw/zinc/02/80/46/173028046.db2.gz TYFLMHYZGPZBRW-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1CCC2(CC2)CC1 ZINC000363459912 173028047 /nfs/dbraw/zinc/02/80/47/173028047.db2.gz TYFLMHYZGPZBRW-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO CN1CCC[C@@H]1CC[NH+]1CCC2(CC2)CC1 ZINC000363459912 173028048 /nfs/dbraw/zinc/02/80/48/173028048.db2.gz TYFLMHYZGPZBRW-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000336585046 173037385 /nfs/dbraw/zinc/03/73/85/173037385.db2.gz BIGZDHSREYJGTI-KGLIPLIRSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000336585046 173037387 /nfs/dbraw/zinc/03/73/87/173037387.db2.gz BIGZDHSREYJGTI-KGLIPLIRSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1CCC2(CC2)CC1 ZINC000363459913 173051940 /nfs/dbraw/zinc/05/19/40/173051940.db2.gz TYFLMHYZGPZBRW-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1CCC2(CC2)CC1 ZINC000363459913 173051942 /nfs/dbraw/zinc/05/19/42/173051942.db2.gz TYFLMHYZGPZBRW-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO CN1CCC[C@H]1CC[NH+]1CCC2(CC2)CC1 ZINC000363459913 173051943 /nfs/dbraw/zinc/05/19/43/173051943.db2.gz TYFLMHYZGPZBRW-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC000054627348 173324521 /nfs/dbraw/zinc/32/45/21/173324521.db2.gz TUNBHHCYUMZQTJ-YHWZYXNKSA-N 1 3 210.365 2.247 20 0 BEADHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC000054627348 173324522 /nfs/dbraw/zinc/32/45/22/173324522.db2.gz TUNBHHCYUMZQTJ-YHWZYXNKSA-N 1 3 210.365 2.247 20 0 BEADHO C[NH2+]CC1CCN(Cc2cccc(OC)c2)CC1 ZINC000011889188 173338748 /nfs/dbraw/zinc/33/87/48/173338748.db2.gz LMQGFUFOQCFWIL-UHFFFAOYSA-N 1 3 248.370 2.127 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000309660814 173346876 /nfs/dbraw/zinc/34/68/76/173346876.db2.gz XTBCZAPSJQLURP-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000309660814 173346877 /nfs/dbraw/zinc/34/68/77/173346877.db2.gz XTBCZAPSJQLURP-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000309660813 173347096 /nfs/dbraw/zinc/34/70/96/173347096.db2.gz XTBCZAPSJQLURP-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000309660813 173347098 /nfs/dbraw/zinc/34/70/98/173347098.db2.gz XTBCZAPSJQLURP-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251672432 173370521 /nfs/dbraw/zinc/37/05/21/173370521.db2.gz GNDJYIUWQFTCNE-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251672432 173370523 /nfs/dbraw/zinc/37/05/23/173370523.db2.gz GNDJYIUWQFTCNE-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO C[NH2+]C[C@@H]1CCN(Cc2c(C)cccc2C)C1 ZINC000130889203 173370802 /nfs/dbraw/zinc/37/08/02/173370802.db2.gz IXLWMDCLZLETNO-AWEZNQCLSA-N 1 3 232.371 2.345 20 0 BEADHO CNC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000053031455 173380553 /nfs/dbraw/zinc/38/05/53/173380553.db2.gz IQULHYFLHXGSDS-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000053031455 173380555 /nfs/dbraw/zinc/38/05/55/173380555.db2.gz IQULHYFLHXGSDS-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCC2CCCC2)C1 ZINC000053031455 173380557 /nfs/dbraw/zinc/38/05/57/173380557.db2.gz IQULHYFLHXGSDS-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO COCCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000363546411 174264795 /nfs/dbraw/zinc/26/47/95/174264795.db2.gz RKZOAPLDPKJKKU-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO COc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000104314174 175098923 /nfs/dbraw/zinc/09/89/23/175098923.db2.gz DJAUMOVNOBFYDK-AWEZNQCLSA-N 1 3 248.370 2.399 20 0 BEADHO COc1cccc(CNCC2=CC[N@H+](C)CC2)c1 ZINC000271854490 175262935 /nfs/dbraw/zinc/26/29/35/175262935.db2.gz UKWSJTRJHHJTGG-UHFFFAOYSA-N 1 3 246.354 2.047 20 0 BEADHO COc1cccc(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000271854490 175262936 /nfs/dbraw/zinc/26/29/36/175262936.db2.gz UKWSJTRJHHJTGG-UHFFFAOYSA-N 1 3 246.354 2.047 20 0 BEADHO COc1cccc([C@@H](C)N2CC[C@@H](C[NH3+])C2)c1 ZINC000224194727 175286939 /nfs/dbraw/zinc/28/69/39/175286939.db2.gz VCXTXKXNJZLDCD-NEPJUHHUSA-N 1 3 234.343 2.037 20 0 BEADHO C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049708457 176021553 /nfs/dbraw/zinc/02/15/53/176021553.db2.gz DEXULUOWZSCBAU-DYEKYZERSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCOCC1 ZINC000036303941 176071951 /nfs/dbraw/zinc/07/19/51/176071951.db2.gz ZASZWSQBCTXXJW-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN ZINC000251566345 176081286 /nfs/dbraw/zinc/08/12/86/176081286.db2.gz AMVCXRFNOSPKSL-MROQNXINSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000227572203 176117574 /nfs/dbraw/zinc/11/75/74/176117574.db2.gz KPKMVIXWUOYEPM-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](CN)C2)C1 ZINC000227572203 176117576 /nfs/dbraw/zinc/11/75/76/176117576.db2.gz KPKMVIXWUOYEPM-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+]C2CCNCC2)C1 ZINC000235295669 176118481 /nfs/dbraw/zinc/11/84/81/176118481.db2.gz AZNKFFCOWTVZBM-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000309154115 176131056 /nfs/dbraw/zinc/13/10/56/176131056.db2.gz WZBDZGKDNVMHTC-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCN2)C1 ZINC000235297323 176138429 /nfs/dbraw/zinc/13/84/29/176138429.db2.gz AJHJJCDWPYBIEO-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CCCNC2)C1 ZINC000235297373 176138740 /nfs/dbraw/zinc/13/87/40/176138740.db2.gz PVNWYCUYEUDGIX-HZSPNIEDSA-N 1 3 224.392 2.402 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309105911 176212111 /nfs/dbraw/zinc/21/21/11/176212111.db2.gz HWKXDEILZBQEHM-DGCLKSJQSA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCc1ccccc1 ZINC000049713023 176371841 /nfs/dbraw/zinc/37/18/41/176371841.db2.gz MTTCZJGUWUHMSE-HIFRSBDPSA-N 1 3 232.371 2.431 20 0 BEADHO C[C@H]1CC[N@H+](CCCCCF)C[C@H]1CN ZINC000336695468 177161255 /nfs/dbraw/zinc/16/12/55/177161255.db2.gz NWIANVCSFZTACX-NWDGAFQWSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@H]1CC[N@@H+](CCCCCF)C[C@H]1CN ZINC000336695468 177161256 /nfs/dbraw/zinc/16/12/56/177161256.db2.gz NWIANVCSFZTACX-NWDGAFQWSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@H]1CCN(CCCCCF)C[C@H]1C[NH3+] ZINC000336695468 177161258 /nfs/dbraw/zinc/16/12/58/177161258.db2.gz NWIANVCSFZTACX-NWDGAFQWSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCCC1 ZINC000335197167 177174762 /nfs/dbraw/zinc/17/47/62/177174762.db2.gz RBMNJCASVNWZHE-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCc1ccccc1 ZINC000049713024 177326474 /nfs/dbraw/zinc/32/64/74/177326474.db2.gz MTTCZJGUWUHMSE-ZFWWWQNUSA-N 1 3 232.371 2.431 20 0 BEADHO C[C@H]1C[C@@H](NCCC[NH3+])c2ccccc21 ZINC000336719745 177330523 /nfs/dbraw/zinc/33/05/23/177330523.db2.gz ZCMVZNSAVOSVEX-GXFFZTMASA-N 1 3 204.317 2.173 20 0 BEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000154416593 177332466 /nfs/dbraw/zinc/33/24/66/177332466.db2.gz KLMNYISMHITNOT-TYNCELHUSA-N 1 3 248.370 2.211 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000087310879 487639602 /nfs/dbraw/zinc/63/96/02/487639602.db2.gz CUYFBTRQWPWLET-WDEREUQCSA-N 1 3 224.373 2.368 20 0 BEADHO C[C@H]1CCC[C@@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000479767289 225192425 /nfs/dbraw/zinc/19/24/25/225192425.db2.gz AUVFLLAFSVICSF-ZQDZILKHSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000488310705 225366387 /nfs/dbraw/zinc/36/63/87/225366387.db2.gz HJMONTNTFAWEAR-RQJABVFESA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000488310705 225366391 /nfs/dbraw/zinc/36/63/91/225366391.db2.gz HJMONTNTFAWEAR-RQJABVFESA-N 1 3 222.376 2.059 20 0 BEADHO CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC(C)(C)C ZINC000383610857 487647724 /nfs/dbraw/zinc/64/77/24/487647724.db2.gz SPCKFJQWGSOIEF-ZDUSSCGKSA-N 1 3 244.423 2.056 20 0 BEADHO CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC(C)(C)C ZINC000383610857 487647728 /nfs/dbraw/zinc/64/77/28/487647728.db2.gz SPCKFJQWGSOIEF-ZDUSSCGKSA-N 1 3 244.423 2.056 20 0 BEADHO CC1(C)CCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000232770263 487653018 /nfs/dbraw/zinc/65/30/18/487653018.db2.gz IIVRMYGTVLTNKV-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H]1CC1(C)C ZINC000397775114 262745719 /nfs/dbraw/zinc/74/57/19/262745719.db2.gz IBNOOGJUFAAIOI-RHYQMDGZSA-N 1 3 210.365 2.009 20 0 BEADHO C[NH2+]CCC1CCN(Cc2cncc(C)c2)CC1 ZINC000228620457 487695039 /nfs/dbraw/zinc/69/50/39/487695039.db2.gz MEVAMOBURBOBFZ-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000527720038 262875939 /nfs/dbraw/zinc/87/59/39/262875939.db2.gz KWTXUDRRMNSWHW-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000527720038 262875940 /nfs/dbraw/zinc/87/59/40/262875940.db2.gz KWTXUDRRMNSWHW-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO C[NH+](C)C1(CNc2ccnc3ccccc32)CC1 ZINC000397824210 262935995 /nfs/dbraw/zinc/93/59/95/262935995.db2.gz ALCBEAJAXNYNSS-UHFFFAOYSA-N 1 3 241.338 2.163 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H]1CS[C@@H](C)C1 ZINC000226330596 487712884 /nfs/dbraw/zinc/71/28/84/487712884.db2.gz ZQSKJOLMSWIVDA-NWDGAFQWSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H]1CS[C@@H](C)C1 ZINC000226330596 487712890 /nfs/dbraw/zinc/71/28/90/487712890.db2.gz ZQSKJOLMSWIVDA-NWDGAFQWSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000226330596 487712898 /nfs/dbraw/zinc/71/28/98/487712898.db2.gz ZQSKJOLMSWIVDA-NWDGAFQWSA-N 1 3 230.421 2.200 20 0 BEADHO c1cc(N2CCC([NH2+]CCC3CC3)CC2)ccn1 ZINC000088455081 487726846 /nfs/dbraw/zinc/72/68/46/487726846.db2.gz CHWDYFLFWSZRJL-UHFFFAOYSA-N 1 3 245.370 2.440 20 0 BEADHO CC[C@]1(C)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000379462402 487734475 /nfs/dbraw/zinc/73/44/75/487734475.db2.gz UKWLVJVPNUJENT-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2Cc3ccccc32)C1 ZINC000250853005 487742133 /nfs/dbraw/zinc/74/21/33/487742133.db2.gz NDLQVFLMAHWMFA-MGPQQGTHSA-N 1 3 230.355 2.186 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250859522 487742022 /nfs/dbraw/zinc/74/20/22/487742022.db2.gz RONDBQFZNZFUGK-GZBFAFLISA-N 1 3 230.355 2.043 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250869256 487743245 /nfs/dbraw/zinc/74/32/45/487743245.db2.gz YAYUQTHOLNSXAG-SQWLQELKSA-N 1 3 244.382 2.433 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414961350 487779061 /nfs/dbraw/zinc/77/90/61/487779061.db2.gz YWLCPXKLBXVHKY-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO CNC1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000162967129 487794522 /nfs/dbraw/zinc/79/45/22/487794522.db2.gz MPLJPIKWGRWBHY-LLVKDONJSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]C1CCN(C[C@@H](C)C(C)(C)C)CC1 ZINC000162967129 487794525 /nfs/dbraw/zinc/79/45/25/487794525.db2.gz MPLJPIKWGRWBHY-LLVKDONJSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](C[NH2+]CCCNC1CC1)C(C)(C)C ZINC000163005522 487796633 /nfs/dbraw/zinc/79/66/33/487796633.db2.gz DOYSJWAEMPZKOG-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)C(C)(C)C ZINC000251889688 487805813 /nfs/dbraw/zinc/80/58/13/487805813.db2.gz VLHMVHRYGDRJCN-IJLUTSLNSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)C(C)(C)C ZINC000251889688 487805820 /nfs/dbraw/zinc/80/58/20/487805820.db2.gz VLHMVHRYGDRJCN-IJLUTSLNSA-N 1 3 212.381 2.338 20 0 BEADHO C[NH+]1CCC(NCc2cccc3c2CCC3)CC1 ZINC000651669344 487814572 /nfs/dbraw/zinc/81/45/72/487814572.db2.gz QJYHLBNOXBQMPZ-UHFFFAOYSA-N 1 3 244.382 2.359 20 0 BEADHO CC[C@@H]1c2ccccc2CCN1CCC[NH3+] ZINC000666640938 487849341 /nfs/dbraw/zinc/84/93/41/487849341.db2.gz FPVRHKNBYOIMST-CQSZACIVSA-N 1 3 218.344 2.345 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@@H]1CCOc2ccccc21 ZINC000666741416 487869770 /nfs/dbraw/zinc/86/97/70/487869770.db2.gz QSSFMGHPVYOZOY-JSGCOSHPSA-N 1 3 248.370 2.126 20 0 BEADHO CCCOc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000666834161 487870441 /nfs/dbraw/zinc/87/04/41/487870441.db2.gz MRKSCXZLICVECP-OAHLLOKOSA-N 1 3 248.370 2.302 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000666874199 487874730 /nfs/dbraw/zinc/87/47/30/487874730.db2.gz APOAXRRAYBATEA-MDZLAQPJSA-N 1 3 210.365 2.295 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000666835906 487887922 /nfs/dbraw/zinc/88/79/22/487887922.db2.gz YXEBEUCVPXUBIW-HNNXBMFYSA-N 1 3 241.338 2.062 20 0 BEADHO [NH3+]C1(CNC[C@@H]2CCOc3ccccc32)CCC1 ZINC000666828773 487888573 /nfs/dbraw/zinc/88/85/73/487888573.db2.gz OLYBQQWAOFRFPP-LBPRGKRZSA-N 1 3 246.354 2.024 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCNCC1 ZINC000666858970 487891878 /nfs/dbraw/zinc/89/18/78/487891878.db2.gz PVIMAQWVTCHRCK-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C(C[NH2+]CC1CCSCC1)CN1CCCC1 ZINC000229260418 487900215 /nfs/dbraw/zinc/90/02/15/487900215.db2.gz KQFFUYJDVOLMSV-UHFFFAOYSA-N 1 3 242.432 2.205 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccccc1C1CC1 ZINC000666910472 487901261 /nfs/dbraw/zinc/90/12/61/487901261.db2.gz TTXVFFINBQHBJM-CYBMUJFWSA-N 1 3 218.344 2.391 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC3(CCC3)C2)C1 ZINC000666995314 487924488 /nfs/dbraw/zinc/92/44/88/487924488.db2.gz JZCIDWIAWPSZJL-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1N ZINC000157894742 487927894 /nfs/dbraw/zinc/92/78/94/487927894.db2.gz ZRNVHNGETJENMA-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1N ZINC000157894742 487927898 /nfs/dbraw/zinc/92/78/98/487927898.db2.gz ZRNVHNGETJENMA-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CC[C@H](C2CCC2)C1 ZINC000667060729 487929884 /nfs/dbraw/zinc/92/98/84/487929884.db2.gz HZIYSMVTKOUQFW-UONOGXRCSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000126023315 487938353 /nfs/dbraw/zinc/93/83/53/487938353.db2.gz JHDLNWFINJHWCL-UPJWGTAASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000235301748 487940418 /nfs/dbraw/zinc/94/04/18/487940418.db2.gz LHIIPHUNEOEBBJ-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO COCC1(CC[NH2+][C@H]2CCC[C@H](N)C2)CCC1 ZINC000566480840 323001045 /nfs/dbraw/zinc/00/10/45/323001045.db2.gz BBVGCRDWOYDSJY-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000569710115 323038106 /nfs/dbraw/zinc/03/81/06/323038106.db2.gz NCNVSZFXZIJSBN-CYBMUJFWSA-N 1 3 220.360 2.171 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1cccs1 ZINC000569801917 323041035 /nfs/dbraw/zinc/04/10/35/323041035.db2.gz RXQZBSBBKMFFBB-WCQYABFASA-N 1 3 238.400 2.398 20 0 BEADHO CCN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](C)OC ZINC000569897533 323043642 /nfs/dbraw/zinc/04/36/42/323043642.db2.gz PASRFZRZWZUBOW-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC[C@H]1CCCC[N@H+]1C)C[C@H](C)OC ZINC000569897533 323043643 /nfs/dbraw/zinc/04/36/43/323043643.db2.gz PASRFZRZWZUBOW-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904073 323043976 /nfs/dbraw/zinc/04/39/76/323043976.db2.gz CVXSMHBKIYJEFW-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904073 323043977 /nfs/dbraw/zinc/04/39/77/323043977.db2.gz CVXSMHBKIYJEFW-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000570107605 323050293 /nfs/dbraw/zinc/05/02/93/323050293.db2.gz XURHFGCJIMBPDJ-XBFCOCLRSA-N 1 3 248.370 2.183 20 0 BEADHO C[C@H](Cc1ccsc1)NCC[C@H](C)[NH3+] ZINC000570663007 323066448 /nfs/dbraw/zinc/06/64/48/323066448.db2.gz YDMPPAXXSNSNLR-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+]CC[C@H](C)N ZINC000570663007 323066449 /nfs/dbraw/zinc/06/64/49/323066449.db2.gz YDMPPAXXSNSNLR-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO COc1ccccc1/C=C/CN[C@H](C)C[C@H](C)[NH3+] ZINC000563135336 323094598 /nfs/dbraw/zinc/09/45/98/323094598.db2.gz JHDYFYLATFTSRJ-FRNKVXGRSA-N 1 3 248.370 2.424 20 0 BEADHO CCOCCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000563423085 323124209 /nfs/dbraw/zinc/12/42/09/323124209.db2.gz DBIKTNWZZXFJIB-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)n1 ZINC000571462090 323145391 /nfs/dbraw/zinc/14/53/91/323145391.db2.gz PIBSKGOGBVGHSO-ZIAGYGMSSA-N 1 3 233.359 2.058 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H](C)CCC(C)C ZINC000414956073 323152261 /nfs/dbraw/zinc/15/22/61/323152261.db2.gz MYRMVKVZADHXAZ-NWDGAFQWSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H]1CN(CC2CC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000530211579 323211724 /nfs/dbraw/zinc/21/17/24/323211724.db2.gz MPYXEOLXLXVZHI-JQWIXIFHSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530211583 323211705 /nfs/dbraw/zinc/21/17/05/323211705.db2.gz MPYXEOLXLXVZHI-ZYHUDNBSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530211583 323211707 /nfs/dbraw/zinc/21/17/07/323211707.db2.gz MPYXEOLXLXVZHI-ZYHUDNBSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CN(CC2CC(C)(C)C2)CC[C@H]1[NH3+] ZINC000530211583 323211708 /nfs/dbraw/zinc/21/17/08/323211708.db2.gz MPYXEOLXLXVZHI-ZYHUDNBSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530211579 323211722 /nfs/dbraw/zinc/21/17/22/323211722.db2.gz MPYXEOLXLXVZHI-JQWIXIFHSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@@H]1N ZINC000530211579 323211723 /nfs/dbraw/zinc/21/17/23/323211723.db2.gz MPYXEOLXLXVZHI-JQWIXIFHSA-N 1 3 210.365 2.092 20 0 BEADHO CCC[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])OCC ZINC000530212960 323216557 /nfs/dbraw/zinc/21/65/57/323216557.db2.gz SHMQOPDYGWYGKS-MGPQQGTHSA-N 1 3 242.407 2.441 20 0 BEADHO Cc1ncccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000530219789 323218061 /nfs/dbraw/zinc/21/80/61/323218061.db2.gz KGQZVOQQBFLXAY-KGLIPLIRSA-N 1 3 233.359 2.140 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+](C)C1CC(C)(C)C1 ZINC000395463121 323227439 /nfs/dbraw/zinc/22/74/39/323227439.db2.gz PYDWFMCRJYLYMY-LLVKDONJSA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395463121 323227442 /nfs/dbraw/zinc/22/74/42/323227442.db2.gz PYDWFMCRJYLYMY-LLVKDONJSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@@H](CN)C[NH2+]C(C1CCC1)C1CCC1 ZINC000324712295 323265942 /nfs/dbraw/zinc/26/59/42/323265942.db2.gz CJGXFFGJNIPSSN-JTQLQIEISA-N 1 3 210.365 2.140 20 0 BEADHO CCC[C@@H](NC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000324929722 323306271 /nfs/dbraw/zinc/30/62/71/323306271.db2.gz NHHWMVXWFBSPLD-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H]([NH2+]C[C@H]1CCCN1)C1CCC1 ZINC000324929722 323306273 /nfs/dbraw/zinc/30/62/73/323306273.db2.gz NHHWMVXWFBSPLD-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCCc1cccs1 ZINC000517731001 324176585 /nfs/dbraw/zinc/17/65/85/324176585.db2.gz YLTGVHBNWHRBSJ-NWDGAFQWSA-N 1 3 224.373 2.150 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCCC2)C[C@H]1CN ZINC000397331364 324211882 /nfs/dbraw/zinc/21/18/82/324211882.db2.gz RBIVBSCRVIAOEI-YRGRVCCFSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCCC2)C[C@H]1CN ZINC000397331364 324211890 /nfs/dbraw/zinc/21/18/90/324211890.db2.gz RBIVBSCRVIAOEI-YRGRVCCFSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](CCCC[NH3+])NCc1noc2ccccc12 ZINC000564348508 325451143 /nfs/dbraw/zinc/45/11/43/325451143.db2.gz LODACMFCFVECSQ-LLVKDONJSA-N 1 3 247.342 2.435 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000565609813 325935103 /nfs/dbraw/zinc/93/51/03/325935103.db2.gz RMZYZPZDDDHLKW-HZPDHXFCSA-N 1 3 244.382 2.261 20 0 BEADHO Cc1cc(F)ccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000565951145 325977451 /nfs/dbraw/zinc/97/74/51/325977451.db2.gz KRJKKJXFABFKHF-MNOVXSKESA-N 1 3 224.323 2.350 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000566483160 326056320 /nfs/dbraw/zinc/05/63/20/326056320.db2.gz ZHFNKSSXVBBWHK-MWLCHTKSSA-N 1 3 232.318 2.424 20 0 BEADHO CCNCCC[NH2+][C@H](C)C1CCSCC1 ZINC000567159352 326126155 /nfs/dbraw/zinc/12/61/55/326126155.db2.gz MGRGPKGFTAYRCY-LLVKDONJSA-N 1 3 230.421 2.107 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Oc1ccccc1 ZINC000567249498 326150638 /nfs/dbraw/zinc/15/06/38/326150638.db2.gz ICYIUSVSDIRJMI-RDBSUJKOSA-N 1 3 248.370 2.313 20 0 BEADHO CN1CCC([C@@H]2CC[N@H+](CC3(C)CC3)C2)CC1 ZINC000567399473 326183526 /nfs/dbraw/zinc/18/35/26/326183526.db2.gz DZRPBKBGEPWJFB-CQSZACIVSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC([C@@H]2CC[N@@H+](CC3(C)CC3)C2)CC1 ZINC000567399473 326183527 /nfs/dbraw/zinc/18/35/27/326183527.db2.gz DZRPBKBGEPWJFB-CQSZACIVSA-N 1 3 236.403 2.450 20 0 BEADHO CC(C)[NH2+]CCCN[C@H](C)Cc1ccoc1 ZINC000567579929 326221752 /nfs/dbraw/zinc/22/17/52/326221752.db2.gz YHKSFRHSBFQATD-GFCCVEGCSA-N 1 3 224.348 2.188 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC1CC1 ZINC000156834285 326243952 /nfs/dbraw/zinc/24/39/52/326243952.db2.gz FKEYESGGJDKEDA-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO FCCCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889766 326277091 /nfs/dbraw/zinc/27/70/91/326277091.db2.gz TZUNBSLMRMULNO-CYBMUJFWSA-N 1 3 228.355 2.202 20 0 BEADHO FCCCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000567889766 326277093 /nfs/dbraw/zinc/27/70/93/326277093.db2.gz TZUNBSLMRMULNO-CYBMUJFWSA-N 1 3 228.355 2.202 20 0 BEADHO FCCCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000567889766 326277094 /nfs/dbraw/zinc/27/70/94/326277094.db2.gz TZUNBSLMRMULNO-CYBMUJFWSA-N 1 3 228.355 2.202 20 0 BEADHO FCCCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889767 326277246 /nfs/dbraw/zinc/27/72/46/326277246.db2.gz TZUNBSLMRMULNO-ZDUSSCGKSA-N 1 3 228.355 2.202 20 0 BEADHO FCCCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567889767 326277247 /nfs/dbraw/zinc/27/72/47/326277247.db2.gz TZUNBSLMRMULNO-ZDUSSCGKSA-N 1 3 228.355 2.202 20 0 BEADHO FCCCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567889767 326277249 /nfs/dbraw/zinc/27/72/49/326277249.db2.gz TZUNBSLMRMULNO-ZDUSSCGKSA-N 1 3 228.355 2.202 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000568248483 326334180 /nfs/dbraw/zinc/33/41/80/326334180.db2.gz SGWHHHOAJIYABY-LSDHHAIUSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568248483 326334184 /nfs/dbraw/zinc/33/41/84/326334184.db2.gz SGWHHHOAJIYABY-LSDHHAIUSA-N 1 3 232.371 2.397 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCC12CC2)CN(C)C ZINC000568277317 326339963 /nfs/dbraw/zinc/33/99/63/326339963.db2.gz VNFQAFWJGBKORS-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO CC1(C)CCCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663499000 488047675 /nfs/dbraw/zinc/04/76/75/488047675.db2.gz UAWCEIQBMPTCED-LXVYMNJGSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663499000 488047678 /nfs/dbraw/zinc/04/76/78/488047678.db2.gz UAWCEIQBMPTCED-LXVYMNJGSA-N 1 3 222.376 2.297 20 0 BEADHO CN(CC[C@H]1CC[NH2+]C1)Cc1ccsc1 ZINC000084384772 488050085 /nfs/dbraw/zinc/05/00/85/488050085.db2.gz MFVNTZRXJHHGFK-LLVKDONJSA-N 1 3 224.373 2.180 20 0 BEADHO CN1CC[C@@H]([NH2+]Cc2cccnc2)CC1(C)C ZINC000084519281 488056779 /nfs/dbraw/zinc/05/67/79/488056779.db2.gz XWNFUGRHEFRBMB-CYBMUJFWSA-N 1 3 233.359 2.044 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N)C1)CC(F)F ZINC000656200902 488067758 /nfs/dbraw/zinc/06/77/58/488067758.db2.gz YGSXIKLLANMCQM-IVZWLZJFSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@H](c1ccncc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257692590 488082373 /nfs/dbraw/zinc/08/23/73/488082373.db2.gz JNNBVXHBUMXJIV-CYBMUJFWSA-N 1 3 245.370 2.218 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403637625 488131531 /nfs/dbraw/zinc/13/15/31/488131531.db2.gz OQKDMFNBXQTYKB-JARUQAPTSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403637625 488131536 /nfs/dbraw/zinc/13/15/36/488131536.db2.gz OQKDMFNBXQTYKB-JARUQAPTSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000093496299 487471559 /nfs/dbraw/zinc/47/15/59/487471559.db2.gz BOFCXGWBJPMSTJ-IHRRRGAJSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000405986320 487494436 /nfs/dbraw/zinc/49/44/36/487494436.db2.gz CFSYSZQOHFTZDA-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986320 487494437 /nfs/dbraw/zinc/49/44/37/487494437.db2.gz CFSYSZQOHFTZDA-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000405986322 487494453 /nfs/dbraw/zinc/49/44/53/487494453.db2.gz CFSYSZQOHFTZDA-VXGBXAGGSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000405986322 487494455 /nfs/dbraw/zinc/49/44/55/487494455.db2.gz CFSYSZQOHFTZDA-VXGBXAGGSA-N 1 3 224.392 2.482 20 0 BEADHO CN(CCC(C)(C)C1CC1)C1CC([NH3+])C1 ZINC000405988796 487494474 /nfs/dbraw/zinc/49/44/74/487494474.db2.gz LKVANICCWYLESG-UHFFFAOYSA-N 1 3 210.365 2.234 20 0 BEADHO C[N@H+](CCC(C)(C)C1CC1)C1CC(N)C1 ZINC000405988796 487494476 /nfs/dbraw/zinc/49/44/76/487494476.db2.gz LKVANICCWYLESG-UHFFFAOYSA-N 1 3 210.365 2.234 20 0 BEADHO C[N@@H+](CCC(C)(C)C1CC1)C1CC(N)C1 ZINC000405988796 487494479 /nfs/dbraw/zinc/49/44/79/487494479.db2.gz LKVANICCWYLESG-UHFFFAOYSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000405967609 487495517 /nfs/dbraw/zinc/49/55/17/487495517.db2.gz SGUILRAHMAVFPG-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967609 487495523 /nfs/dbraw/zinc/49/55/23/487495523.db2.gz SGUILRAHMAVFPG-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000405967612 487495685 /nfs/dbraw/zinc/49/56/85/487495685.db2.gz SGUILRAHMAVFPG-RYUDHWBXSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967612 487495690 /nfs/dbraw/zinc/49/56/90/487495690.db2.gz SGUILRAHMAVFPG-RYUDHWBXSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1C[N@H+](CCCC(C)C)CC[C@@H]1N ZINC000161559780 487503013 /nfs/dbraw/zinc/50/30/13/487503013.db2.gz JYGUWFSKABZEFL-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](CCCC(C)C)CC[C@@H]1N ZINC000161559780 487503017 /nfs/dbraw/zinc/50/30/17/487503017.db2.gz JYGUWFSKABZEFL-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1CN(CCCC(C)C)CC[C@@H]1[NH3+] ZINC000161559780 487503019 /nfs/dbraw/zinc/50/30/19/487503019.db2.gz JYGUWFSKABZEFL-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000249989597 487726617 /nfs/dbraw/zinc/72/66/17/487726617.db2.gz TVKLRNVZPJYTDY-BTTYYORXSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC[C@H]1C)C(C)(C)C ZINC000379943455 488161956 /nfs/dbraw/zinc/16/19/56/488161956.db2.gz CPMSHDHIYYEHRC-IJLUTSLNSA-N 1 3 212.381 2.256 20 0 BEADHO CN(C)CCOc1ccc(C[N@H+](C)C2CC2)cc1 ZINC000678140171 488204929 /nfs/dbraw/zinc/20/49/29/488204929.db2.gz LCUXBYRFJPDEQS-UHFFFAOYSA-N 1 3 248.370 2.221 20 0 BEADHO CN(C)CCOc1ccc(C[N@@H+](C)C2CC2)cc1 ZINC000678140171 488204934 /nfs/dbraw/zinc/20/49/34/488204934.db2.gz LCUXBYRFJPDEQS-UHFFFAOYSA-N 1 3 248.370 2.221 20 0 BEADHO CC[C@H]1C[N@H+](CCC2CCC2)CC[C@H]1N ZINC000398751679 488223597 /nfs/dbraw/zinc/22/35/97/488223597.db2.gz BYSHWFOIHCZORA-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1N ZINC000398751679 488223599 /nfs/dbraw/zinc/22/35/99/488223599.db2.gz BYSHWFOIHCZORA-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1CN(CCC2CCC2)CC[C@H]1[NH3+] ZINC000398751679 488223602 /nfs/dbraw/zinc/22/36/02/488223602.db2.gz BYSHWFOIHCZORA-QWHCGFSZSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799006 488224692 /nfs/dbraw/zinc/22/46/92/488224692.db2.gz NDJLOEGAYJAMKA-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398799006 488224689 /nfs/dbraw/zinc/22/46/89/488224689.db2.gz NDJLOEGAYJAMKA-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)C[N@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211945392 488352972 /nfs/dbraw/zinc/35/29/72/488352972.db2.gz XZFSWQLOWRZVTN-UHFFFAOYSA-N 1 3 232.371 2.420 20 0 BEADHO CC(C)C[N@@H+](C)Cc1ccc2c(c1)CNCC2 ZINC000211945392 488352973 /nfs/dbraw/zinc/35/29/73/488352973.db2.gz XZFSWQLOWRZVTN-UHFFFAOYSA-N 1 3 232.371 2.420 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000070327812 490209630 /nfs/dbraw/zinc/20/96/30/490209630.db2.gz DDENLOHGDHQXED-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000070327818 490210014 /nfs/dbraw/zinc/21/00/14/490210014.db2.gz DDENLOHGDHQXED-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO Cc1cccc(CCN[C@@H](C)C[C@@H]2CCC[NH2+]2)n1 ZINC000415111195 490214697 /nfs/dbraw/zinc/21/46/97/490214697.db2.gz UCYNSSHDNIBOCN-ZFWWWQNUSA-N 1 3 247.386 2.053 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CC1 ZINC000083055798 490318413 /nfs/dbraw/zinc/31/84/13/490318413.db2.gz KUBAUVWQDBVZGI-TZMCWYRMSA-N 1 3 224.392 2.495 20 0 BEADHO c1ccc2c(c1)CC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000128895983 490593602 /nfs/dbraw/zinc/59/36/02/490593602.db2.gz NAURYGMRUPFCLB-DZGCQCFKSA-N 1 3 230.355 2.406 20 0 BEADHO CCC[N@H+](C[C@H]1CC[C@@H](C)O1)C1CCNCC1 ZINC000232018157 491123795 /nfs/dbraw/zinc/12/37/95/491123795.db2.gz XMZYAULPWGHSIR-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C[C@H]1CC[C@@H](C)O1)C1CCNCC1 ZINC000232018157 491123796 /nfs/dbraw/zinc/12/37/96/491123796.db2.gz XMZYAULPWGHSIR-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN(C[C@H]1CC[C@@H](C)O1)C1CC[NH2+]CC1 ZINC000232018157 491123797 /nfs/dbraw/zinc/12/37/97/491123797.db2.gz XMZYAULPWGHSIR-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ncc[nH]2)CCO1 ZINC000139023275 491130192 /nfs/dbraw/zinc/13/01/92/491130192.db2.gz IASHZOBSDZCWKQ-SDDRHHMPSA-N 1 3 237.347 2.264 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000488352456 533722242 /nfs/dbraw/zinc/72/22/42/533722242.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352456 533722247 /nfs/dbraw/zinc/72/22/47/533722247.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000488352456 533722253 /nfs/dbraw/zinc/72/22/53/533722253.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000488352456 533722255 /nfs/dbraw/zinc/72/22/55/533722255.db2.gz NVTPFPNJCWPNTO-VHDGCEQUSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000488358715 533722477 /nfs/dbraw/zinc/72/24/77/533722477.db2.gz XZNGOGZDKFIUBI-QLFBSQMISA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000488358715 533722483 /nfs/dbraw/zinc/72/24/83/533722483.db2.gz XZNGOGZDKFIUBI-QLFBSQMISA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488358715 533722492 /nfs/dbraw/zinc/72/24/92/533722492.db2.gz XZNGOGZDKFIUBI-QLFBSQMISA-N 1 3 236.403 2.450 20 0 BEADHO C[C@H](NC[C@H]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000400386907 533905418 /nfs/dbraw/zinc/90/54/18/533905418.db2.gz MCRKSBSPNHELHB-RWMBFGLXSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CCCN1 ZINC000400386907 533905425 /nfs/dbraw/zinc/90/54/25/533905425.db2.gz MCRKSBSPNHELHB-RWMBFGLXSA-N 1 3 208.349 2.073 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000251286606 535610519 /nfs/dbraw/zinc/61/05/19/535610519.db2.gz GXYFGUWHCPGMAY-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000251286606 535610527 /nfs/dbraw/zinc/61/05/27/535610527.db2.gz GXYFGUWHCPGMAY-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CCOC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(C)C ZINC000348481045 535669184 /nfs/dbraw/zinc/66/91/84/535669184.db2.gz SXWCOHUZHMGNOO-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000348481045 535669189 /nfs/dbraw/zinc/66/91/89/535669189.db2.gz SXWCOHUZHMGNOO-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@@H](NCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000348481045 535669195 /nfs/dbraw/zinc/66/91/95/535669195.db2.gz SXWCOHUZHMGNOO-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000892068937 582784488 /nfs/dbraw/zinc/78/44/88/582784488.db2.gz WPFSVMAEUONXSZ-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000892068937 582784490 /nfs/dbraw/zinc/78/44/90/582784490.db2.gz WPFSVMAEUONXSZ-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]2CCCCN2)C1 ZINC000242463552 525384339 /nfs/dbraw/zinc/38/43/39/525384339.db2.gz DFIGHHKRSRRDCH-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]2CCCCN2)C1 ZINC000242463552 525384345 /nfs/dbraw/zinc/38/43/45/525384345.db2.gz DFIGHHKRSRRDCH-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H](C)CN(CC[C@H]2CCCC[NH2+]2)C1 ZINC000242463552 525384354 /nfs/dbraw/zinc/38/43/54/525384354.db2.gz DFIGHHKRSRRDCH-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@@H]1CCC[N@@H+]1CC1CCC(C)CC1 ZINC000169225517 536457815 /nfs/dbraw/zinc/45/78/15/536457815.db2.gz BCIBQSPLVWXDLI-RUXDESIVSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@@H]1CCC[N@H+]1CC1CCC(C)CC1 ZINC000169225517 536457817 /nfs/dbraw/zinc/45/78/17/536457817.db2.gz BCIBQSPLVWXDLI-RUXDESIVSA-N 1 3 224.392 2.497 20 0 BEADHO CCN1CC[C@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486986782 527814137 /nfs/dbraw/zinc/81/41/37/527814137.db2.gz ZKHLNODXCAUKFB-NHZBNJEXSA-N 1 3 245.370 2.026 20 0 BEADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000300987392 528252057 /nfs/dbraw/zinc/25/20/57/528252057.db2.gz VBERXDRECRSPLG-HZSPNIEDSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000300987392 528252064 /nfs/dbraw/zinc/25/20/64/528252064.db2.gz VBERXDRECRSPLG-HZSPNIEDSA-N 1 3 224.392 2.352 20 0 BEADHO CCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000174949754 528485896 /nfs/dbraw/zinc/48/58/96/528485896.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000174949754 528485902 /nfs/dbraw/zinc/48/59/02/528485902.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000174949754 528485905 /nfs/dbraw/zinc/48/59/05/528485905.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000174949754 528485910 /nfs/dbraw/zinc/48/59/10/528485910.db2.gz OVGZZTOFLTZDQC-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CC[C@H](C2CC2)C1 ZINC000400006187 528554173 /nfs/dbraw/zinc/55/41/73/528554173.db2.gz RLKLPELXYBQTEU-STQMWFEESA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)[C@H](C)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261532704 534955519 /nfs/dbraw/zinc/95/55/19/534955519.db2.gz CREYAENNOCTFLF-STQMWFEESA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[C@H](C)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261532704 534955521 /nfs/dbraw/zinc/95/55/21/534955521.db2.gz CREYAENNOCTFLF-STQMWFEESA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960323 535168413 /nfs/dbraw/zinc/16/84/13/535168413.db2.gz YJKZUTTYNAUOAT-UHFFFAOYSA-N 1 3 233.359 2.296 20 0 BEADHO CC[C@@H](C)CN(CC)C[C@]1(C)CC[NH2+]C1 ZINC000086440222 535510661 /nfs/dbraw/zinc/51/06/61/535510661.db2.gz YSMFLGKSOAHNRM-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(OC)cc1 ZINC000261551313 535802980 /nfs/dbraw/zinc/80/29/80/535802980.db2.gz MCKFBVPSICEVEY-CYBMUJFWSA-N 1 3 236.359 2.473 20 0 BEADHO CC[C@@H](NCCC[NH3+])c1cccc(F)c1 ZINC000164078114 535803728 /nfs/dbraw/zinc/80/37/28/535803728.db2.gz FLOLMDDWLKVYTC-GFCCVEGCSA-N 1 3 210.296 2.215 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000219319176 535819234 /nfs/dbraw/zinc/81/92/34/535819234.db2.gz ADUSIJYVSWWVMT-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2)C1 ZINC000261533591 535822014 /nfs/dbraw/zinc/82/20/14/535822014.db2.gz LAIOAKFFYIYTPX-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@]1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261554799 535908424 /nfs/dbraw/zinc/90/84/24/535908424.db2.gz UPQHMGHJFJKKTG-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@]1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261554799 535908427 /nfs/dbraw/zinc/90/84/27/535908427.db2.gz UPQHMGHJFJKKTG-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CCc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261565580 535936965 /nfs/dbraw/zinc/93/69/65/535936965.db2.gz HSZXYQZIMWVNBK-HRCADAONSA-N 1 3 244.382 2.418 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000251378293 535937455 /nfs/dbraw/zinc/93/74/55/535937455.db2.gz SKLBFACROWMELS-RDBSUJKOSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@]1(C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261554802 536048393 /nfs/dbraw/zinc/04/83/93/536048393.db2.gz UPQHMGHJFJKKTG-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@]1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261554802 536048395 /nfs/dbraw/zinc/04/83/95/536048395.db2.gz UPQHMGHJFJKKTG-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](CSC)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252730746 536127116 /nfs/dbraw/zinc/12/71/16/536127116.db2.gz MRYSGFNAQBSGMJ-AGIUHOORSA-N 1 3 242.432 2.344 20 0 BEADHO CC[C@H](CSC)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730746 536127117 /nfs/dbraw/zinc/12/71/17/536127117.db2.gz MRYSGFNAQBSGMJ-AGIUHOORSA-N 1 3 242.432 2.344 20 0 BEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCF)C1 ZINC000352011219 536181006 /nfs/dbraw/zinc/18/10/06/536181006.db2.gz ACTNQOWWZCJFML-AWEZNQCLSA-N 1 3 242.382 2.400 20 0 BEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCF)C1 ZINC000352011219 536181010 /nfs/dbraw/zinc/18/10/10/536181010.db2.gz ACTNQOWWZCJFML-AWEZNQCLSA-N 1 3 242.382 2.400 20 0 BEADHO CCCSC[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000892612543 582929162 /nfs/dbraw/zinc/92/91/62/582929162.db2.gz ARTMWRMCVYPGGB-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261593405 536901511 /nfs/dbraw/zinc/90/15/11/536901511.db2.gz WUAHUPUVSXPRJM-VWYCJHECSA-N 1 3 222.332 2.082 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000891934139 582740236 /nfs/dbraw/zinc/74/02/36/582740236.db2.gz WYPMUCBKTFYXPB-AWEZNQCLSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@H]2C2CC2)CC1 ZINC000891934139 582740237 /nfs/dbraw/zinc/74/02/37/582740237.db2.gz WYPMUCBKTFYXPB-AWEZNQCLSA-N 1 3 222.376 2.203 20 0 BEADHO CCCOc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000560942771 582841183 /nfs/dbraw/zinc/84/11/83/582841183.db2.gz CEDZWDULYCGCLD-LBPRGKRZSA-N 1 3 236.359 2.160 20 0 BEADHO CC(C)Cc1ccc(C[NH2+]CCCN(C)C)cn1 ZINC000892430007 582885784 /nfs/dbraw/zinc/88/57/84/582885784.db2.gz XUTRDFLBGWBZDP-UHFFFAOYSA-N 1 3 249.402 2.321 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000893674299 583193453 /nfs/dbraw/zinc/19/34/53/583193453.db2.gz YUNFREATYGOHLA-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CC1CCN(C)CC1 ZINC000893674299 583193455 /nfs/dbraw/zinc/19/34/55/583193455.db2.gz YUNFREATYGOHLA-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC1=C(C)C[N@H+](CC2CCN(C)CC2)CC1 ZINC000894194907 583333529 /nfs/dbraw/zinc/33/35/29/583333529.db2.gz NLFKZDVHORRXHE-UHFFFAOYSA-N 1 3 222.376 2.370 20 0 BEADHO CC1=C(C)C[N@@H+](CC2CCN(C)CC2)CC1 ZINC000894194907 583333530 /nfs/dbraw/zinc/33/35/30/583333530.db2.gz NLFKZDVHORRXHE-UHFFFAOYSA-N 1 3 222.376 2.370 20 0 BEADHO C(=C/c1ccccc1)\CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000323665567 583532396 /nfs/dbraw/zinc/53/23/96/583532396.db2.gz DMKRXWINOLZRMX-FXEMMDDYSA-N 1 3 242.366 2.241 20 0 BEADHO CCCC[C@H](COC)NCC[C@H](C)[NH+](C)C ZINC000895293036 583638917 /nfs/dbraw/zinc/63/89/17/583638917.db2.gz FUDRPXMKKULNSM-QWHCGFSZSA-N 1 3 230.396 2.121 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCC2(CCC2)O1 ZINC000883429738 583808260 /nfs/dbraw/zinc/80/82/60/583808260.db2.gz CPOCJVUHIWFPHC-RYUDHWBXSA-N 1 3 240.391 2.051 20 0 BEADHO C[N@@H+]1CC[C@@H](N[C@H]2C=CCC2)CC1(C)C ZINC000858189905 588937995 /nfs/dbraw/zinc/93/79/95/588937995.db2.gz YXLBHGNGOSXQOE-NWDGAFQWSA-N 1 3 208.349 2.167 20 0 BEADHO C[N@H+]1CC[C@@H](N[C@H]2C=CCC2)CC1(C)C ZINC000858189905 588937996 /nfs/dbraw/zinc/93/79/96/588937996.db2.gz YXLBHGNGOSXQOE-NWDGAFQWSA-N 1 3 208.349 2.167 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000897955448 584065442 /nfs/dbraw/zinc/06/54/42/584065442.db2.gz UVAGLQKMQOTMSJ-MRLBHPIUSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897955448 584065443 /nfs/dbraw/zinc/06/54/43/584065443.db2.gz UVAGLQKMQOTMSJ-MRLBHPIUSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897955448 584065444 /nfs/dbraw/zinc/06/54/44/584065444.db2.gz UVAGLQKMQOTMSJ-MRLBHPIUSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000873249509 584128329 /nfs/dbraw/zinc/12/83/29/584128329.db2.gz ATERNKTVZKEUPO-ATZCPNFKSA-N 1 3 239.750 2.123 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000858490872 588960091 /nfs/dbraw/zinc/96/00/91/588960091.db2.gz RILDURTXFMOXBB-VHDGCEQUSA-N 1 3 236.403 2.497 20 0 BEADHO CSCC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902328453 584560977 /nfs/dbraw/zinc/56/09/77/584560977.db2.gz KVONVHZXRKCSDP-NWDGAFQWSA-N 1 3 244.448 2.496 20 0 BEADHO CO[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902333891 584563393 /nfs/dbraw/zinc/56/33/93/584563393.db2.gz MVGRWUMGNVHXAK-QWHCGFSZSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902406856 584574333 /nfs/dbraw/zinc/57/43/33/584574333.db2.gz VIJCJZSSCVYPAJ-XGFWRYKXSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902406856 584574335 /nfs/dbraw/zinc/57/43/35/584574335.db2.gz VIJCJZSSCVYPAJ-XGFWRYKXSA-N 1 3 236.403 2.399 20 0 BEADHO CSC1(C[NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000902385361 584578250 /nfs/dbraw/zinc/57/82/50/584578250.db2.gz ZZBHYIWDFTVBPD-NSHDSACASA-N 1 3 242.432 2.250 20 0 BEADHO CSC1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902385361 584578251 /nfs/dbraw/zinc/57/82/51/584578251.db2.gz ZZBHYIWDFTVBPD-NSHDSACASA-N 1 3 242.432 2.250 20 0 BEADHO CCC[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902389229 584580318 /nfs/dbraw/zinc/58/03/18/584580318.db2.gz TTYFTWRBQCYEEQ-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CS1 ZINC000902391307 584582021 /nfs/dbraw/zinc/58/20/21/584582021.db2.gz VBJCSHVWDRJPSI-UTUOFQBUSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)CS1 ZINC000902391307 584582023 /nfs/dbraw/zinc/58/20/23/584582023.db2.gz VBJCSHVWDRJPSI-UTUOFQBUSA-N 1 3 242.432 2.248 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2C=CCC2)C1 ZINC000902391565 584582325 /nfs/dbraw/zinc/58/23/25/584582325.db2.gz GYCQKXXUBCLVQA-NEPJUHHUSA-N 1 3 208.349 2.073 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc(N)c2)C1 ZINC000902391148 584582397 /nfs/dbraw/zinc/58/23/97/584582397.db2.gz COQVTRCLHZSEGQ-CQSZACIVSA-N 1 3 247.386 2.137 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000902396920 584585643 /nfs/dbraw/zinc/58/56/43/584585643.db2.gz IEUKXEGQQHMHGJ-GHMZBOCLSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CNCC1(C)C ZINC000902444239 584598381 /nfs/dbraw/zinc/59/83/81/584598381.db2.gz MWOZPMFXSNJPBF-QWRGUYRKSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[C@@H](NCC1([NH3+])CC1)c1ccccc1 ZINC000902413511 584599766 /nfs/dbraw/zinc/59/97/66/584599766.db2.gz NFFLBDHHXHCLKX-CYBMUJFWSA-N 1 3 218.344 2.465 20 0 BEADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CC2)C1(CC)CC ZINC000902414534 584600310 /nfs/dbraw/zinc/60/03/10/584600310.db2.gz WSYSMGYZKDLWIT-NEPJUHHUSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478887 584603768 /nfs/dbraw/zinc/60/37/68/584603768.db2.gz YOVOAPNUAKDCFW-ZUWCUPBKSA-N 1 3 222.376 2.438 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000902447225 584603928 /nfs/dbraw/zinc/60/39/28/584603928.db2.gz XIUMIYQMGDXVHV-AVGNSLFASA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCSC(C)(C)C1 ZINC000902452944 584607856 /nfs/dbraw/zinc/60/78/56/584607856.db2.gz NQJDZLPBYVBYJI-SDDRHHMPSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCSC(C)(C)C1 ZINC000902452947 584608006 /nfs/dbraw/zinc/60/80/06/584608006.db2.gz NQJDZLPBYVBYJI-SRVKXCTJSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCSC(C)(C)C1 ZINC000902452940 584608015 /nfs/dbraw/zinc/60/80/15/584608015.db2.gz NQJDZLPBYVBYJI-QJPTWQEYSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C1CNC1 ZINC000902457581 584610178 /nfs/dbraw/zinc/61/01/78/584610178.db2.gz UWXWUVWIWKWNPF-UWVGGRQHSA-N 1 3 232.318 2.009 20 0 BEADHO C1CC1[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCC1 ZINC000902459604 584610833 /nfs/dbraw/zinc/61/08/33/584610833.db2.gz CXGWZVDBZQNZDB-REWJHTLYSA-N 1 3 220.360 2.048 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)O1 ZINC000902460249 584610903 /nfs/dbraw/zinc/61/09/03/584610903.db2.gz FUSBBYNDOWPVAC-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC(C)(C)O1 ZINC000902460617 584611605 /nfs/dbraw/zinc/61/16/05/584611605.db2.gz HPNKGIDBBAMUSG-SRVKXCTJSA-N 1 3 228.380 2.050 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902462985 584612620 /nfs/dbraw/zinc/61/26/20/584612620.db2.gz YLNXSWLIRCAFNO-GUDWOMEESA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]1C ZINC000902465895 584613972 /nfs/dbraw/zinc/61/39/72/584613972.db2.gz HIBYDIQCAAKJHP-GSZZWUTPSA-N 1 3 222.376 2.294 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466798 584614241 /nfs/dbraw/zinc/61/42/41/584614241.db2.gz MVJZKIJXKGQQQX-RXGFPQBGSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902467586 584615017 /nfs/dbraw/zinc/61/50/17/584615017.db2.gz OYORRMAFKJNXQV-XHJNMGKDSA-N 1 3 220.360 2.048 20 0 BEADHO C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469073 584615479 /nfs/dbraw/zinc/61/54/79/584615479.db2.gz OYORRMAFKJNXQV-MEBFFEOJSA-N 1 3 220.360 2.048 20 0 BEADHO C([NH2+][C@H]1CCCSC1)[C@H]1CCCCCN1 ZINC000902485281 584624547 /nfs/dbraw/zinc/62/45/47/584624547.db2.gz ZEHYHNRAOHIGHT-NEPJUHHUSA-N 1 3 228.405 2.004 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(Cl)cn1 ZINC000902485200 584624702 /nfs/dbraw/zinc/62/47/02/584624702.db2.gz JAHXYGRHWDDNJC-FXPVBKGRSA-N 1 3 239.750 2.123 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(F)cc(F)c1 ZINC000902488112 584626767 /nfs/dbraw/zinc/62/67/67/584626767.db2.gz KGOOAOWRPULQBP-JRKPZEMJSA-N 1 3 240.297 2.353 20 0 BEADHO CNc1ccc(C)cc1C[NH2+]C[C@H](C)CN(C)C ZINC000902571283 584636114 /nfs/dbraw/zinc/63/61/14/584636114.db2.gz HDBOZKJEBABAEV-ZDUSSCGKSA-N 1 3 249.402 2.324 20 0 BEADHO CNc1ccccc1C[NH2+]C[C@H](C)CN(C)C ZINC000902571682 584636311 /nfs/dbraw/zinc/63/63/11/584636311.db2.gz LSSUKEXGLAIPPH-LBPRGKRZSA-N 1 3 235.375 2.016 20 0 BEADHO C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)CN(C)C ZINC000902999214 584715017 /nfs/dbraw/zinc/71/50/17/584715017.db2.gz MRAKNVWDEAUTNQ-JHJVBQTASA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903055821 584722008 /nfs/dbraw/zinc/72/20/08/584722008.db2.gz MFSZPJGRWFUSBK-QXMXGUDHSA-N 1 3 222.376 2.390 20 0 BEADHO CCN(CCc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430939 584761403 /nfs/dbraw/zinc/76/14/03/584761403.db2.gz JUGUFHCKMBCLKG-ZBFHGGJFSA-N 1 3 246.398 2.407 20 0 BEADHO C[N@@H+]1CC[C@H](NC/C=C\Cl)[C@@H]2CCC[C@@H]21 ZINC000903443515 584768533 /nfs/dbraw/zinc/76/85/33/584768533.db2.gz HSZBAFZEITXKRQ-DHBYLJOMSA-N 1 3 228.767 2.201 20 0 BEADHO C[N@H+]1CC[C@H](NC/C=C\Cl)[C@@H]2CCC[C@@H]21 ZINC000903443515 584768534 /nfs/dbraw/zinc/76/85/34/584768534.db2.gz HSZBAFZEITXKRQ-DHBYLJOMSA-N 1 3 228.767 2.201 20 0 BEADHO CN1CC[C@H]([NH2+]C/C=C\Cl)[C@@H]2CCC[C@@H]21 ZINC000903443515 584768535 /nfs/dbraw/zinc/76/85/35/584768535.db2.gz HSZBAFZEITXKRQ-DHBYLJOMSA-N 1 3 228.767 2.201 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903447139 584770788 /nfs/dbraw/zinc/77/07/88/584770788.db2.gz GOFGYSHYKISOQK-SMDDNHRTSA-N 1 3 243.354 2.337 20 0 BEADHO CC[C@@H]1C[C@H]1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453908 584772859 /nfs/dbraw/zinc/77/28/59/584772859.db2.gz PCZREMFLPYEYBR-HZSPNIEDSA-N 1 3 222.376 2.108 20 0 BEADHO FC1(F)CC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903472321 584775875 /nfs/dbraw/zinc/77/58/75/584775875.db2.gz RWEIUCGEDHCVME-WDEREUQCSA-N 1 3 244.329 2.296 20 0 BEADHO FC1(F)CC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903472320 584776074 /nfs/dbraw/zinc/77/60/74/584776074.db2.gz RWEIUCGEDHCVME-QWRGUYRKSA-N 1 3 244.329 2.296 20 0 BEADHO C[N@H+](C[C@H]1CCCCNC1)C(C1CC1)C1CC1 ZINC000903727314 584793237 /nfs/dbraw/zinc/79/32/37/584793237.db2.gz SGESEHOSKJGGQH-LBPRGKRZSA-N 1 3 236.403 2.497 20 0 BEADHO C[N@@H+](C[C@H]1CCCCNC1)C(C1CC1)C1CC1 ZINC000903727314 584793238 /nfs/dbraw/zinc/79/32/38/584793238.db2.gz SGESEHOSKJGGQH-LBPRGKRZSA-N 1 3 236.403 2.497 20 0 BEADHO CC1CC(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000903740887 584795921 /nfs/dbraw/zinc/79/59/21/584795921.db2.gz LTJDSCSDCWYTFY-NEXFUWMNSA-N 1 3 236.403 2.497 20 0 BEADHO FC1(F)C[C@@]12CCN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903768791 584798144 /nfs/dbraw/zinc/79/81/44/584798144.db2.gz QVVYUOSUXMZFHI-NWDGAFQWSA-N 1 3 244.329 2.107 20 0 BEADHO C1=CC[C@@H]2C[N@@H+](C[C@@H]3CCCCNC3)C[C@@H]2C1 ZINC000903778044 584799908 /nfs/dbraw/zinc/79/99/08/584799908.db2.gz JFYAOWZPFTYNKU-KFWWJZLASA-N 1 3 234.387 2.274 20 0 BEADHO C1=CC[C@@H]2C[N@H+](C[C@@H]3CCCCNC3)C[C@@H]2C1 ZINC000903778044 584799909 /nfs/dbraw/zinc/79/99/09/584799909.db2.gz JFYAOWZPFTYNKU-KFWWJZLASA-N 1 3 234.387 2.274 20 0 BEADHO [NH3+]C[C@]12CC[C@@H]1CCN2C[C@@H]1CCC(F)(F)C1 ZINC000903861803 584811960 /nfs/dbraw/zinc/81/19/60/584811960.db2.gz YFTSYNGDPOIKIS-IJLUTSLNSA-N 1 3 244.329 2.235 20 0 BEADHO [NH3+]C[C@@]12CC[C@H]1CCN2CCCC1CCC1 ZINC000903860320 584812546 /nfs/dbraw/zinc/81/25/46/584812546.db2.gz QTPIKXDUYMRZEM-KBPBESRZSA-N 1 3 222.376 2.380 20 0 BEADHO C[C@]1(C2CC2)COCCN1CCCCCC[NH3+] ZINC000903883662 584818369 /nfs/dbraw/zinc/81/83/69/584818369.db2.gz ZBEGIYANTBHGCQ-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@@H]2CCCC[C@@H]21 ZINC000903903512 584820829 /nfs/dbraw/zinc/82/08/29/584820829.db2.gz UXFQUUBPMLZLGQ-DDHJBXDOSA-N 1 3 246.345 2.479 20 0 BEADHO C[C@H](Cc1cccs1)NC[C@@H]([NH3+])CC(F)F ZINC000903923256 584823889 /nfs/dbraw/zinc/82/38/89/584823889.db2.gz OZMFWTRPCSLLCO-BDAKNGLRSA-N 1 3 248.342 2.251 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]CC1CCCCCC1 ZINC000903960777 584828114 /nfs/dbraw/zinc/82/81/14/584828114.db2.gz ZHUQXPSXHUFMBB-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963709 584833458 /nfs/dbraw/zinc/83/34/58/584833458.db2.gz GNVLYFZQLVICAY-OPRDCNLKSA-N 1 3 238.297 2.305 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963606 584833621 /nfs/dbraw/zinc/83/36/21/584833621.db2.gz BZPHTLXVGIGPLH-FVCCEPFGSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000903964066 584833798 /nfs/dbraw/zinc/83/37/98/584833798.db2.gz KOTZOHBDRKSEOW-UKRRQHHQSA-N 1 3 248.370 2.043 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000903964370 584834077 /nfs/dbraw/zinc/83/40/77/584834077.db2.gz OEILRYWFPLEBES-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000903964108 584834183 /nfs/dbraw/zinc/83/41/83/584834183.db2.gz LXPUGVWQDGQARB-NJMOYASZSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000903964096 584834201 /nfs/dbraw/zinc/83/42/01/584834201.db2.gz LJADWHKUEKEHNH-NZEXEKPDSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000903964886 584834568 /nfs/dbraw/zinc/83/45/68/584834568.db2.gz XSQXRMDQZGUIFT-QNWHQSFQSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccccc1C[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968290 584835010 /nfs/dbraw/zinc/83/50/10/584835010.db2.gz SAULRSCCAPWEBR-FMKPAKJESA-N 1 3 246.398 2.371 20 0 BEADHO CCC[N@H+](C)C[C@@H](N)CCC(C)(C)C ZINC000904307710 584862481 /nfs/dbraw/zinc/86/24/81/584862481.db2.gz UIBROLKOMLRUPP-NSHDSACASA-N 1 3 200.370 2.482 20 0 BEADHO CCC[N@@H+](C)C[C@@H](N)CCC(C)(C)C ZINC000904307710 584862483 /nfs/dbraw/zinc/86/24/83/584862483.db2.gz UIBROLKOMLRUPP-NSHDSACASA-N 1 3 200.370 2.482 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN2CC[C@](F)(c3ccccc3)C2)C1 ZINC000904350979 584869543 /nfs/dbraw/zinc/86/95/43/584869543.db2.gz SSSZQHNVFITXLZ-VHDGCEQUSA-N 1 3 248.345 2.294 20 0 BEADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@@]1(C)CCCNC1 ZINC000904378496 584876074 /nfs/dbraw/zinc/87/60/74/584876074.db2.gz DVBXQPRSLZWICC-JSGCOSHPSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@@]1(C)CCCNC1 ZINC000904378496 584876075 /nfs/dbraw/zinc/87/60/75/584876075.db2.gz DVBXQPRSLZWICC-JSGCOSHPSA-N 1 3 224.392 2.354 20 0 BEADHO CN(C[C@@H]1CC1(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904378496 584876076 /nfs/dbraw/zinc/87/60/76/584876076.db2.gz DVBXQPRSLZWICC-JSGCOSHPSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1cccc(CN(C)CC2CC[NH+](C)CC2)n1 ZINC000738312313 585042795 /nfs/dbraw/zinc/04/27/95/585042795.db2.gz PGURMQXNAKLKCR-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782185542 585810819 /nfs/dbraw/zinc/81/08/19/585810819.db2.gz HGSNFLPSTGCFKQ-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782185542 585810820 /nfs/dbraw/zinc/81/08/20/585810820.db2.gz HGSNFLPSTGCFKQ-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000782184871 585810927 /nfs/dbraw/zinc/81/09/27/585810927.db2.gz GPJOHAPBEWCBOF-TZMCWYRMSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000782184871 585810928 /nfs/dbraw/zinc/81/09/28/585810928.db2.gz GPJOHAPBEWCBOF-TZMCWYRMSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](C1CC1)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000782184871 585810929 /nfs/dbraw/zinc/81/09/29/585810929.db2.gz GPJOHAPBEWCBOF-TZMCWYRMSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](C1CC1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184871 585810930 /nfs/dbraw/zinc/81/09/30/585810930.db2.gz GPJOHAPBEWCBOF-TZMCWYRMSA-N 1 3 236.403 2.449 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782191549 585811812 /nfs/dbraw/zinc/81/18/12/585811812.db2.gz XAVGKFIIMJSRHD-VXGBXAGGSA-N 1 3 210.365 2.059 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782191549 585811813 /nfs/dbraw/zinc/81/18/13/585811813.db2.gz XAVGKFIIMJSRHD-VXGBXAGGSA-N 1 3 210.365 2.059 20 0 BEADHO CS[C@@H]1CC[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000817897221 586834546 /nfs/dbraw/zinc/83/45/46/586834546.db2.gz HGUTYKXJBXOMLM-FDYHWXHSSA-N 1 3 242.432 2.391 20 0 BEADHO CCC(CC)(CN[C@@H]1C[NH2+]CC[C@H]1C)SC ZINC000817900547 586835734 /nfs/dbraw/zinc/83/57/34/586835734.db2.gz PTIJLJWLEVHQFO-VXGBXAGGSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1ccccc1 ZINC000817900077 586835845 /nfs/dbraw/zinc/83/58/45/586835845.db2.gz KCTFUGMOVDZONE-UKRRQHHQSA-N 1 3 247.386 2.076 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000817900503 586836269 /nfs/dbraw/zinc/83/62/69/586836269.db2.gz PHDXFVDZAIFMOO-WUHRBBMRSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CCC1 ZINC000817906748 586836846 /nfs/dbraw/zinc/83/68/46/586836846.db2.gz FEBYWKPSRBGQTL-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CCC1 ZINC000817906746 586837369 /nfs/dbraw/zinc/83/73/69/586837369.db2.gz FEBYWKPSRBGQTL-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO COc1cc(C)c([C@@H](C)NCCC[NH3+])cc1C ZINC000817938986 586844479 /nfs/dbraw/zinc/84/44/79/586844479.db2.gz XCHNLCCFLYWMNI-GFCCVEGCSA-N 1 3 236.359 2.311 20 0 BEADHO C[NH2+]CCCN[C@H](C)CSC(C)(C)C ZINC000817939887 586845638 /nfs/dbraw/zinc/84/56/38/586845638.db2.gz HUQXFDNUMTYAOV-SNVBAGLBSA-N 1 3 218.410 2.106 20 0 BEADHO CNCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000817939887 586845640 /nfs/dbraw/zinc/84/56/40/586845640.db2.gz HUQXFDNUMTYAOV-SNVBAGLBSA-N 1 3 218.410 2.106 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000817950695 586847508 /nfs/dbraw/zinc/84/75/08/586847508.db2.gz XGBYMRYTYFGEFG-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CSC(C)(C)C)NCC(C)(C)[NH3+] ZINC000817959390 586851335 /nfs/dbraw/zinc/85/13/35/586851335.db2.gz CRHXLOHWDLKXAQ-VIFPVBQESA-N 1 3 218.410 2.234 20 0 BEADHO C[C@@H](CSC(C)(C)C)NC[C@@H]([NH3+])C1CC1 ZINC000817965638 586855257 /nfs/dbraw/zinc/85/52/57/586855257.db2.gz SRDMAZXFGHCDJB-GXSJLCMTSA-N 1 3 230.421 2.234 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817979154 586861955 /nfs/dbraw/zinc/86/19/55/586861955.db2.gz IGVPBYZZNVKORJ-GXFFZTMASA-N 1 3 234.343 2.009 20 0 BEADHO C[N@H+](CCCCNCc1ccoc1)C1CC1 ZINC000835061263 587779816 /nfs/dbraw/zinc/77/98/16/587779816.db2.gz GREIXLJLZDENPP-UHFFFAOYSA-N 1 3 222.332 2.244 20 0 BEADHO C[N@@H+](CCCCNCc1ccoc1)C1CC1 ZINC000835061263 587779817 /nfs/dbraw/zinc/77/98/17/587779817.db2.gz GREIXLJLZDENPP-UHFFFAOYSA-N 1 3 222.332 2.244 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841076885 587943935 /nfs/dbraw/zinc/94/39/35/587943935.db2.gz RZTHYHALRZYSIJ-QWRGUYRKSA-N 1 3 248.370 2.225 20 0 BEADHO CCCCCC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000841085439 587946104 /nfs/dbraw/zinc/94/61/04/587946104.db2.gz CLDOZFCXAJZUFY-KBPBESRZSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@@H](NCCCCCC[NH3+])c1ccco1 ZINC000843342345 588101075 /nfs/dbraw/zinc/10/10/75/588101075.db2.gz KTFOBHHQLHCNFA-LLVKDONJSA-N 1 3 210.321 2.449 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1ccccn1 ZINC000843342521 588101540 /nfs/dbraw/zinc/10/15/40/588101540.db2.gz RNDFWZFWZFUMKP-LBPRGKRZSA-N 1 3 221.348 2.251 20 0 BEADHO [NH3+]C[C@H]1CCCN(Cc2cccc3c2CCC3)C1 ZINC000844901689 588218962 /nfs/dbraw/zinc/21/89/62/588218962.db2.gz HWHLYBHVMLAFOZ-CYBMUJFWSA-N 1 3 244.382 2.346 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000845996034 588252782 /nfs/dbraw/zinc/25/27/82/588252782.db2.gz JJVZFLAZDWOLPL-CQSZACIVSA-N 1 3 240.391 2.247 20 0 BEADHO CCCCCC[NH+]1CCC(NCCOC)CC1 ZINC000846221696 588259946 /nfs/dbraw/zinc/25/99/46/588259946.db2.gz BWRVOYCABOOSJT-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C1CCCC1 ZINC000863482756 589292549 /nfs/dbraw/zinc/29/25/49/589292549.db2.gz KTTMFCYTFFYBJJ-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546710 589296297 /nfs/dbraw/zinc/29/62/97/589296297.db2.gz MZVLZKLQHUQNNS-VOAKCMCISA-N 1 3 210.365 2.151 20 0 BEADHO Cc1cc(CNCC2CC[NH+](C)CC2)c(C)o1 ZINC000119897086 589346737 /nfs/dbraw/zinc/34/67/37/589346737.db2.gz DWIPMCIYUMLATQ-UHFFFAOYSA-N 1 3 236.359 2.328 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CCC(C)(C)CO1 ZINC000866661825 589508949 /nfs/dbraw/zinc/50/89/49/589508949.db2.gz VOQUJQURKJSYJN-OCCSQVGLSA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@H]([NH2+]CCOCCN(C)C)C(C)(C)CC ZINC000872064837 589863610 /nfs/dbraw/zinc/86/36/10/589863610.db2.gz MWLPLQFARCIHGF-ZDUSSCGKSA-N 1 3 244.423 2.369 20 0 BEADHO CCN1CCN(c2cc[nH+]cc2C2CC2)C[C@@H]1C ZINC000872492132 589944371 /nfs/dbraw/zinc/94/43/71/589944371.db2.gz CLHTUCODGWBRLZ-LBPRGKRZSA-N 1 3 245.370 2.489 20 0 BEADHO CCC[C@H](C)C[NH2+][C@]12CCC[C@@H]1NCC2 ZINC000873229722 590002445 /nfs/dbraw/zinc/00/24/45/590002445.db2.gz FDZYGZAJVWAQML-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)(C)CC[NH2+][C@]12CCC[C@H]1NCC2 ZINC000873232337 590002600 /nfs/dbraw/zinc/00/26/00/590002600.db2.gz WSSALVBCKZKCFE-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO COCCC[C@H](C)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236921 590004530 /nfs/dbraw/zinc/00/45/30/590004530.db2.gz KTKJSOPWXMYLEB-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO Cc1nc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)c(C)s1 ZINC000873252191 590008793 /nfs/dbraw/zinc/00/87/93/590008793.db2.gz PTITZRARSJAUQI-ONOSFVFSSA-N 1 3 239.388 2.148 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cccnc1Cl ZINC000873257080 590011459 /nfs/dbraw/zinc/01/14/59/590011459.db2.gz QOAAWZNZOZGLSL-OPRDCNLKSA-N 1 3 239.750 2.123 20 0 BEADHO Cc1cc([C@@H](C)N[C@H](C)C2CC[NH2+]CC2)no1 ZINC000873269045 590015636 /nfs/dbraw/zinc/01/56/36/590015636.db2.gz KGMRNJDPDQHWRY-GHMZBOCLSA-N 1 3 237.347 2.022 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000873282306 590018541 /nfs/dbraw/zinc/01/85/41/590018541.db2.gz SYOMZMQSLIKMDE-IHRRRGAJSA-N 1 3 222.376 2.450 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2ncccc12 ZINC000873282339 590018563 /nfs/dbraw/zinc/01/85/63/590018563.db2.gz CGSJKANKBVUZTQ-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2ncccc12 ZINC000873282338 590019092 /nfs/dbraw/zinc/01/90/92/590019092.db2.gz CGSJKANKBVUZTQ-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC1CC(Nc2ccccc2)C1 ZINC000873295291 590023962 /nfs/dbraw/zinc/02/39/62/590023962.db2.gz DZJCTGJEOGJGPX-CZWNDGCPSA-N 1 3 247.386 2.345 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295291 590023965 /nfs/dbraw/zinc/02/39/65/590023965.db2.gz DZJCTGJEOGJGPX-CZWNDGCPSA-N 1 3 247.386 2.345 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CC1(F)F ZINC000877073697 590278236 /nfs/dbraw/zinc/27/82/36/590278236.db2.gz QRGYZRBQUYSKBE-WHOHXGKFSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC1(F)F ZINC000877073697 590278237 /nfs/dbraw/zinc/27/82/37/590278237.db2.gz QRGYZRBQUYSKBE-WHOHXGKFSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CC1(F)F ZINC000877073695 590278397 /nfs/dbraw/zinc/27/83/97/590278397.db2.gz QRGYZRBQUYSKBE-QCNOEVLYSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC1(F)F ZINC000877073695 590278398 /nfs/dbraw/zinc/27/83/98/590278398.db2.gz QRGYZRBQUYSKBE-QCNOEVLYSA-N 1 3 246.345 2.493 20 0 BEADHO CN1CC=C(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877137900 590291201 /nfs/dbraw/zinc/29/12/01/590291201.db2.gz FAZDRPBFTNJRFR-SNVBAGLBSA-N 1 3 249.185 2.032 20 0 BEADHO C[N@@H+]1CC[C@@H]2CN(CC3(C)CCC3)CC[C@H]21 ZINC000877738383 590405539 /nfs/dbraw/zinc/40/55/39/590405539.db2.gz BIZNZLSLIKUGBS-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CC[C@@H]2CN(CC3(C)CCC3)CC[C@H]21 ZINC000877738383 590405540 /nfs/dbraw/zinc/40/55/40/590405540.db2.gz BIZNZLSLIKUGBS-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO CC(C)C1(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000877738842 590406344 /nfs/dbraw/zinc/40/63/44/590406344.db2.gz MOAAABAGEOMOJB-KBPBESRZSA-N 1 3 236.403 2.449 20 0 BEADHO CC(C)C1(CN2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000877738842 590406346 /nfs/dbraw/zinc/40/63/46/590406346.db2.gz MOAAABAGEOMOJB-KBPBESRZSA-N 1 3 236.403 2.449 20 0 BEADHO C=C/C=C/CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000878103598 590494841 /nfs/dbraw/zinc/49/48/41/590494841.db2.gz GMXBCEJXXFXAKP-GFUIURDCSA-N 1 3 208.349 2.002 20 0 BEADHO C=C/C=C\CC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000878167686 590514284 /nfs/dbraw/zinc/51/42/84/590514284.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C\CC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000878167686 590514286 /nfs/dbraw/zinc/51/42/86/590514286.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C\CCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000878167686 590514289 /nfs/dbraw/zinc/51/42/89/590514289.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C\CCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167686 590514290 /nfs/dbraw/zinc/51/42/90/590514290.db2.gz XTAQYJGBDQPQLC-LMVHVUTASA-N 1 3 222.376 2.392 20 0 BEADHO CCCCC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879574349 590813694 /nfs/dbraw/zinc/81/36/94/590813694.db2.gz ZSYTXABKIQGRQV-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879574349 590813698 /nfs/dbraw/zinc/81/36/98/590813698.db2.gz ZSYTXABKIQGRQV-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879574348 590814735 /nfs/dbraw/zinc/81/47/35/590814735.db2.gz ZSYTXABKIQGRQV-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879574348 590814736 /nfs/dbraw/zinc/81/47/36/590814736.db2.gz ZSYTXABKIQGRQV-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H](C)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258905 590979374 /nfs/dbraw/zinc/97/93/74/590979374.db2.gz DTDKOFKGIJKAIV-QWHCGFSZSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@H](C)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880258905 590979375 /nfs/dbraw/zinc/97/93/75/590979375.db2.gz DTDKOFKGIJKAIV-QWHCGFSZSA-N 1 3 233.359 2.391 20 0 BEADHO CCCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880262604 590980232 /nfs/dbraw/zinc/98/02/32/590980232.db2.gz QELUMYRJUPIPRU-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880262604 590980237 /nfs/dbraw/zinc/98/02/37/590980237.db2.gz QELUMYRJUPIPRU-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO Fc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000128840750 591167665 /nfs/dbraw/zinc/16/76/65/591167665.db2.gz ILBDOZGYUNRNRH-AWEZNQCLSA-N 1 3 236.334 2.100 20 0 BEADHO Fc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000128840750 591167667 /nfs/dbraw/zinc/16/76/67/591167667.db2.gz ILBDOZGYUNRNRH-AWEZNQCLSA-N 1 3 236.334 2.100 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000128895791 591176678 /nfs/dbraw/zinc/17/66/78/591176678.db2.gz NAURYGMRUPFCLB-ZFWWWQNUSA-N 1 3 230.355 2.406 20 0 BEADHO C=C/C=C/CCN(C1CC1)C1CC[NH2+]CC1 ZINC000883415764 591652294 /nfs/dbraw/zinc/65/22/94/591652294.db2.gz DMPPJOIDAIIIDZ-ONEGZZNKSA-N 1 3 220.360 2.335 20 0 BEADHO [NH3+]C[C@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883417168 591653011 /nfs/dbraw/zinc/65/30/11/591653011.db2.gz PUBFCCGRABVPQD-GHMZBOCLSA-N 1 3 232.318 2.093 20 0 BEADHO NCC12CC(C1)C[N@@H+]2CC[C@H]1CCCC1(F)F ZINC000883435819 591666441 /nfs/dbraw/zinc/66/64/41/591666441.db2.gz DEPZUDISAVZZEF-MOENNCHZSA-N 1 3 244.329 2.235 20 0 BEADHO NCC12CC(C1)C[N@H+]2CC[C@H]1CCCC1(F)F ZINC000883435819 591666445 /nfs/dbraw/zinc/66/64/45/591666445.db2.gz DEPZUDISAVZZEF-MOENNCHZSA-N 1 3 244.329 2.235 20 0 BEADHO [NH3+][C@H]1C[C@H](NCC2CCOCC2)c2ccccc21 ZINC000132112046 591687967 /nfs/dbraw/zinc/68/79/67/591687967.db2.gz VHXCYVVKDQKBIP-GJZGRUSLSA-N 1 3 246.354 2.147 20 0 BEADHO Cc1coc(CNCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000886142509 592162700 /nfs/dbraw/zinc/16/27/00/592162700.db2.gz DRDDWUTWAYEQBX-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1coc(CNCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000886142509 592162697 /nfs/dbraw/zinc/16/26/97/592162697.db2.gz DRDDWUTWAYEQBX-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H]2CSC[C@@H]2C1 ZINC000886568121 592261740 /nfs/dbraw/zinc/26/17/40/592261740.db2.gz APTWHSGIUWENME-BETUJISGSA-N 1 3 242.432 2.013 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568121 592261742 /nfs/dbraw/zinc/26/17/42/592261742.db2.gz APTWHSGIUWENME-BETUJISGSA-N 1 3 242.432 2.013 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568121 592261744 /nfs/dbraw/zinc/26/17/44/592261744.db2.gz APTWHSGIUWENME-BETUJISGSA-N 1 3 242.432 2.013 20 0 BEADHO [NH3+]C1CCC(NCc2ncc(Cl)s2)CC1 ZINC000220816842 592357022 /nfs/dbraw/zinc/35/70/22/592357022.db2.gz YFZCSNFHJAFJCO-UHFFFAOYSA-N 1 3 245.779 2.156 20 0 BEADHO CC1(C[NH2+][C@@H]2CCNC23CCC3)CC(F)(F)C1 ZINC000925733855 634583196 /nfs/dbraw/zinc/58/31/96/634583196.db2.gz LPTORYLZGLNKQC-SNVBAGLBSA-N 1 3 244.329 2.296 20 0 BEADHO CC[C@H](NCCC(C)(C)[NH3+])c1ccncc1 ZINC000925736484 634590448 /nfs/dbraw/zinc/59/04/48/634590448.db2.gz AJFZJEHXWOFFFV-LBPRGKRZSA-N 1 3 221.348 2.250 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000925882141 635610604 /nfs/dbraw/zinc/61/06/04/635610604.db2.gz XOPSCLFYSLDVBU-KGLIPLIRSA-N 1 3 222.376 2.450 20 0 BEADHO CC(C)([NH3+])CCNCc1ccc(F)cc1 ZINC000258896119 631669638 /nfs/dbraw/zinc/66/96/38/631669638.db2.gz LTQHALSTFYUGJH-UHFFFAOYSA-N 1 3 210.296 2.043 20 0 BEADHO C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000309761839 632667763 /nfs/dbraw/zinc/66/77/63/632667763.db2.gz IVMRXQJOHKBYEF-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H]2CCOC2)c2ccccc21 ZINC000236302532 632914961 /nfs/dbraw/zinc/91/49/61/632914961.db2.gz TWKVMURXPCOGGI-KCPJHIHWSA-N 1 3 246.354 2.147 20 0 BEADHO C[C@@H]([NH2+]CC[C@H](C)N(C)C)C1CC(F)(F)C1 ZINC000895291032 636131989 /nfs/dbraw/zinc/13/19/89/636131989.db2.gz YQDMKQXVHUGFLS-VHSXEESVSA-N 1 3 234.334 2.350 20 0 BEADHO CCC(CC)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328471692 633768016 /nfs/dbraw/zinc/76/80/16/633768016.db2.gz ADXJWOYQMHSVQI-YHQUGGNUSA-N 1 3 222.376 2.009 20 0 BEADHO CCC[C@H](CC)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328522012 633771409 /nfs/dbraw/zinc/77/14/09/633771409.db2.gz HLFORLNECHWHLP-XNBXPENISA-N 1 3 222.376 2.151 20 0 BEADHO CC[C@H](C)[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328566134 633775212 /nfs/dbraw/zinc/77/52/12/633775212.db2.gz MKQBBMCWFBZSNM-ISCIKXKRSA-N 1 3 222.376 2.007 20 0 BEADHO C[C@H]1C[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C[C@@H](C)C1 ZINC000328576961 633778300 /nfs/dbraw/zinc/77/83/00/633778300.db2.gz ZSFZWHFUHQUNMY-ZGNUMKAHSA-N 1 3 248.414 2.397 20 0 BEADHO CSC[C@H](C)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925502357 633826111 /nfs/dbraw/zinc/82/61/11/633826111.db2.gz GVEBZRFFQQYYCC-USZNOCQGSA-N 1 3 242.432 2.104 20 0 BEADHO CSC[C@H](C)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925502357 633826115 /nfs/dbraw/zinc/82/61/15/633826115.db2.gz GVEBZRFFQQYYCC-USZNOCQGSA-N 1 3 242.432 2.104 20 0 BEADHO CC(F)(F)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925677855 634269760 /nfs/dbraw/zinc/26/97/60/634269760.db2.gz BFRCELXKOFUDPW-VWYCJHECSA-N 1 3 246.345 2.398 20 0 BEADHO CC[C@@H]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925679691 634275708 /nfs/dbraw/zinc/27/57/08/634275708.db2.gz LSAJYYOZZABUFH-GBIHRFPISA-N 1 3 248.414 2.399 20 0 BEADHO CC[C@@H]1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925679692 634276208 /nfs/dbraw/zinc/27/62/08/634276208.db2.gz LSAJYYOZZABUFH-KDELZDPKSA-N 1 3 248.414 2.399 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000925768161 635188832 /nfs/dbraw/zinc/18/88/32/635188832.db2.gz TVEPVVXCBNZBJL-XJKSGUPXSA-N 1 3 246.398 2.451 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CCCC[C@H]1C ZINC000925783646 635292184 /nfs/dbraw/zinc/29/21/84/635292184.db2.gz KOCIZMIMSLXSNA-DHGKCCLASA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338884 635298726 /nfs/dbraw/zinc/29/87/26/635298726.db2.gz CNATUTXXMAPJHG-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000925790321 635314989 /nfs/dbraw/zinc/31/49/89/635314989.db2.gz GZEZJDSULBHEIV-CQJJVWNLSA-N 1 3 244.382 2.365 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450470906 636443178 /nfs/dbraw/zinc/44/31/78/636443178.db2.gz JJHLYVGQHMITLB-NSHDSACASA-N 1 3 246.345 2.305 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450470906 636443181 /nfs/dbraw/zinc/44/31/81/636443181.db2.gz JJHLYVGQHMITLB-NSHDSACASA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1CCC[N@H+](CCCNC2CC2)[C@H]1C ZINC000252175613 636780395 /nfs/dbraw/zinc/78/03/95/636780395.db2.gz OXFMRIAUDDFZDK-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CCC[N@@H+](CCCNC2CC2)[C@H]1C ZINC000252175613 636780396 /nfs/dbraw/zinc/78/03/96/636780396.db2.gz OXFMRIAUDDFZDK-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CCCN(CCC[NH2+]C2CC2)[C@H]1C ZINC000252175613 636780399 /nfs/dbraw/zinc/78/03/99/636780399.db2.gz OXFMRIAUDDFZDK-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)C[NH2+]CCCN1CCCCC1 ZINC000041051164 636959741 /nfs/dbraw/zinc/95/97/41/636959741.db2.gz JJJDSTJHFJFWEC-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@H]2N1C[C@H]1CCC[NH2+]1 ZINC000903436751 637360075 /nfs/dbraw/zinc/36/00/75/637360075.db2.gz BFWRXEQQTZLPQR-AAVRWANBSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000903464821 637362367 /nfs/dbraw/zinc/36/23/67/637362367.db2.gz XYGKRIADMQHBKQ-WYUUTHIRSA-N 1 3 246.345 2.065 20 0 BEADHO CC(C)C[C@@H](N)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000904443481 637410526 /nfs/dbraw/zinc/41/05/26/637410526.db2.gz LTDGLDAVIJQLIN-CHWSQXEVSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)C[C@H](N)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000904443483 637411711 /nfs/dbraw/zinc/41/17/11/637411711.db2.gz LTDGLDAVIJQLIN-QWHCGFSZSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)C[C@H](N)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000904443484 637411747 /nfs/dbraw/zinc/41/17/47/637411747.db2.gz LTDGLDAVIJQLIN-STQMWFEESA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](CCc1ccccc1)C[NH2+]C1CC(N)C1 ZINC000906510786 638183018 /nfs/dbraw/zinc/18/30/18/638183018.db2.gz XDDSTAHYIAENGA-GRTSSRMGSA-N 1 3 232.371 2.335 20 0 BEADHO NC1CC([NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000906511066 638184496 /nfs/dbraw/zinc/18/44/96/638184496.db2.gz RTHCOXLWLZVHKK-CIDNJEQPSA-N 1 3 244.382 2.477 20 0 BEADHO CC[C@H]1CCC[C@H](C[NH2+][C@H]2C[C@H](N)C2)C1 ZINC000906517738 638187548 /nfs/dbraw/zinc/18/75/48/638187548.db2.gz OKGWCNLKCSITTF-CYDGBPFRSA-N 1 3 210.365 2.282 20 0 BEADHO CCCC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000906534118 638202272 /nfs/dbraw/zinc/20/22/72/638202272.db2.gz OOEBJPMDUYZGLU-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](c1cccnc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433427 640201763 /nfs/dbraw/zinc/20/17/63/640201763.db2.gz BOAKPLVMAMDKDZ-AEGPPILISA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H](c1cccnc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433427 640201764 /nfs/dbraw/zinc/20/17/64/640201764.db2.gz BOAKPLVMAMDKDZ-AEGPPILISA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000931683202 640313388 /nfs/dbraw/zinc/31/33/88/640313388.db2.gz HKVUHGNJNLWFCL-QWHCGFSZSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000931683202 640313393 /nfs/dbraw/zinc/31/33/93/640313393.db2.gz HKVUHGNJNLWFCL-QWHCGFSZSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000931683201 640314037 /nfs/dbraw/zinc/31/40/37/640314037.db2.gz HKVUHGNJNLWFCL-OLZOCXBDSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000931683201 640314043 /nfs/dbraw/zinc/31/40/43/640314043.db2.gz HKVUHGNJNLWFCL-OLZOCXBDSA-N 1 3 245.370 2.391 20 0 BEADHO CSCC[C@@H](C)N(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000222341551 640482232 /nfs/dbraw/zinc/48/22/32/640482232.db2.gz CITRJNVQDBHUGK-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000222341551 640482236 /nfs/dbraw/zinc/48/22/36/640482236.db2.gz CITRJNVQDBHUGK-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000222341551 640482240 /nfs/dbraw/zinc/48/22/40/640482240.db2.gz CITRJNVQDBHUGK-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)[C@@H]1CC[N@H+](CCCNC2CC2)C1 ZINC000166049673 640608648 /nfs/dbraw/zinc/60/86/48/640608648.db2.gz POUWHQWQTCVVHM-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC000166049673 640608654 /nfs/dbraw/zinc/60/86/54/640608654.db2.gz POUWHQWQTCVVHM-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000227117111 640815528 /nfs/dbraw/zinc/81/55/28/640815528.db2.gz RBKJUNLGYOPURY-YNEHKIRRSA-N 1 3 208.349 2.202 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@@H]1CCCO1 ZINC000227535806 640838926 /nfs/dbraw/zinc/83/89/26/640838926.db2.gz CBNLGONBJZJDIS-QOWREQOWSA-N 1 3 246.354 2.288 20 0 BEADHO Cc1ccc(OCCN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000228202475 640866526 /nfs/dbraw/zinc/86/65/26/640866526.db2.gz LLBUTRIDTFBXIY-KBPBESRZSA-N 1 3 248.370 2.043 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000062077353 641017810 /nfs/dbraw/zinc/01/78/10/641017810.db2.gz IADIBYAEKCXQIV-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](C[NH2+]CC(C)(C)C)CN1CCCC1 ZINC000062079213 641020024 /nfs/dbraw/zinc/02/00/24/641020024.db2.gz QTPMKOZJTPKPLX-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CCCN(C[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000062861933 641100375 /nfs/dbraw/zinc/10/03/75/641100375.db2.gz RYYOQQMTKRYDPI-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000062862168 641099882 /nfs/dbraw/zinc/09/98/82/641099882.db2.gz DFFDOAQXEMRDRC-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000062862168 641099889 /nfs/dbraw/zinc/09/98/89/641099889.db2.gz DFFDOAQXEMRDRC-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO CCC[N@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000062861933 641100369 /nfs/dbraw/zinc/10/03/69/641100369.db2.gz RYYOQQMTKRYDPI-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CCC[N@@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000062861933 641100371 /nfs/dbraw/zinc/10/03/71/641100371.db2.gz RYYOQQMTKRYDPI-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO CCC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000062862426 641100550 /nfs/dbraw/zinc/10/05/50/641100550.db2.gz NGRCDJBPRXJIQL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC1CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000062861591 641101225 /nfs/dbraw/zinc/10/12/25/641101225.db2.gz TYBCDKCOVKUTEW-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](Cc1cccnc1)[NH2+]CC[C@H]1CCCN1C ZINC000934233016 641109786 /nfs/dbraw/zinc/10/97/86/641109786.db2.gz HNJYTATYGRGVSK-DZGCQCFKSA-N 1 3 247.386 2.087 20 0 BEADHO CCC(=O)CC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000190256559 641854932 /nfs/dbraw/zinc/85/49/32/641854932.db2.gz YQUDDPZHCPAKTH-ZDUSSCGKSA-N 1 3 240.391 2.019 20 0 BEADHO CCC(=O)CC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000190256559 641854935 /nfs/dbraw/zinc/85/49/35/641854935.db2.gz YQUDDPZHCPAKTH-ZDUSSCGKSA-N 1 3 240.391 2.019 20 0 BEADHO CCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCC1 ZINC000232886714 642148406 /nfs/dbraw/zinc/14/84/06/642148406.db2.gz RNHBYXAFBASJEN-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO CCCN1CCC([NH2+]C/C=C/Cl)CC1 ZINC000233034633 642645058 /nfs/dbraw/zinc/64/50/58/642645058.db2.gz XVEVPLROFPOFCI-ZZXKWVIFSA-N 1 3 216.756 2.203 20 0 BEADHO C[N@H+](CC1CCCC1)C[C@@]1(C)CCCNC1 ZINC000082493388 643326528 /nfs/dbraw/zinc/32/65/28/643326528.db2.gz ADEUNTZEQHKVIE-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[N@@H+](CC1CCCC1)C[C@@]1(C)CCCNC1 ZINC000082493388 643326534 /nfs/dbraw/zinc/32/65/34/643326534.db2.gz ADEUNTZEQHKVIE-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[NH+](C)CCCNCc1cccc2[nH]ccc21 ZINC000070938504 643395221 /nfs/dbraw/zinc/39/52/21/643395221.db2.gz JKVISBGFCJERRO-UHFFFAOYSA-N 1 3 231.343 2.209 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000084216612 643650827 /nfs/dbraw/zinc/65/08/27/643650827.db2.gz BZASSFVPXIYXQK-MELADBBJSA-N 1 3 222.376 2.450 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000084220713 643651218 /nfs/dbraw/zinc/65/12/18/643651218.db2.gz NOWVUAWGECPQFE-NEPJUHHUSA-N 1 3 224.373 2.008 20 0 BEADHO CCc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000050245253 643661233 /nfs/dbraw/zinc/66/12/33/643661233.db2.gz CJOZKHJYPOJMTI-CQSZACIVSA-N 1 3 218.344 2.030 20 0 BEADHO Cc1ccc(CN2CC[C@H](C[NH3+])C2)cc1C ZINC000050245458 643661365 /nfs/dbraw/zinc/66/13/65/643661365.db2.gz QYQVTZWGNRXXOR-CQSZACIVSA-N 1 3 218.344 2.084 20 0 BEADHO C[C@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)C1CNC1 ZINC000422753194 643882547 /nfs/dbraw/zinc/88/25/47/643882547.db2.gz ICXCMSZQOGOGGQ-IKMFHRHGSA-N 1 3 248.414 2.400 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccs2)C1 ZINC000086402360 644130706 /nfs/dbraw/zinc/13/07/06/644130706.db2.gz OOMHDUHLHGEJSH-NXEZZACHSA-N 1 3 210.346 2.108 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000086403903 644130768 /nfs/dbraw/zinc/13/07/68/644130768.db2.gz AOUQYENQOIZUFK-GHMZBOCLSA-N 1 3 224.373 2.416 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCc1cccs1 ZINC000086442241 644137317 /nfs/dbraw/zinc/13/73/17/644137317.db2.gz RBZHGKOYBNZPHJ-NEPJUHHUSA-N 1 3 238.400 2.078 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1CC1CCC2(CC2)CC1 ZINC000923367301 644377547 /nfs/dbraw/zinc/37/75/47/644377547.db2.gz GGEBOSMETPTJAE-AAEUAGOBSA-N 1 3 222.376 2.378 20 0 BEADHO [NH3+]CC12CC(C1)CN2CC1CCC2(CC2)CC1 ZINC000923392673 644397291 /nfs/dbraw/zinc/39/72/91/644397291.db2.gz YXCTZIBOFKHHMJ-UHFFFAOYSA-N 1 3 234.387 2.380 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000084219987 644420519 /nfs/dbraw/zinc/42/05/19/644420519.db2.gz SXANWZHUBKQYQH-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO CC1(C)C(C[NH2+]C2CCNCC2)C1(C)C ZINC000086239413 644459333 /nfs/dbraw/zinc/45/93/33/644459333.db2.gz OZRWIJFSYRPRTJ-UHFFFAOYSA-N 1 3 210.365 2.010 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2cccs2)C1 ZINC000086402356 644467367 /nfs/dbraw/zinc/46/73/67/644467367.db2.gz OOMHDUHLHGEJSH-VHSXEESVSA-N 1 3 210.346 2.108 20 0 BEADHO CCc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923515773 644480336 /nfs/dbraw/zinc/48/03/36/644480336.db2.gz LWXICKXFPPABMI-JKSUJKDBSA-N 1 3 244.382 2.290 20 0 BEADHO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCCN ZINC000923529317 644485554 /nfs/dbraw/zinc/48/55/54/644485554.db2.gz CSISTSMWECEIJJ-ZDUSSCGKSA-N 1 3 238.400 2.494 20 0 BEADHO C[C@@]1(Cc2cccs2)CCC[N@H+]1CCCN ZINC000923529317 644485555 /nfs/dbraw/zinc/48/55/55/644485555.db2.gz CSISTSMWECEIJJ-ZDUSSCGKSA-N 1 3 238.400 2.494 20 0 BEADHO COCc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093215208 644681407 /nfs/dbraw/zinc/68/14/07/644681407.db2.gz MFWANOTZGAZYPG-GJZGRUSLSA-N 1 3 248.370 2.193 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252807616 644910484 /nfs/dbraw/zinc/91/04/84/644910484.db2.gz CYTVXHVKYVZDFE-FRRDWIJNSA-N 1 3 242.432 2.344 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1ccco1 ZINC000926729369 645390500 /nfs/dbraw/zinc/39/05/00/645390500.db2.gz WRBWETVNUFPGAO-NNQSOWQGSA-N 1 3 248.370 2.142 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2ccccn2)C1 ZINC000925494816 645925492 /nfs/dbraw/zinc/92/54/92/645925492.db2.gz MFWNLYJONDZXAS-TZMCWYRMSA-N 1 3 247.386 2.120 20 0 BEADHO COC[C@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000924524710 646046357 /nfs/dbraw/zinc/04/63/57/646046357.db2.gz AWWRQMCMDPRIKH-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925492070 646299146 /nfs/dbraw/zinc/29/91/46/646299146.db2.gz FGZJGNXGXAAVML-UONOGXRCSA-N 1 3 224.392 2.400 20 0 BEADHO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925520923 646312579 /nfs/dbraw/zinc/31/25/79/646312579.db2.gz BHRLHNMEULFCHB-UTUOFQBUSA-N 1 3 240.416 2.145 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000925585972 646346371 /nfs/dbraw/zinc/34/63/71/646346371.db2.gz QLRDQYOHZVLJLK-AHLTXXRQSA-N 1 3 236.403 2.399 20 0 BEADHO C1=CC[C@H](C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925618858 646364743 /nfs/dbraw/zinc/36/47/43/646364743.db2.gz YQMICPZXFDFKHX-QWHCGFSZSA-N 1 3 220.360 2.217 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C12CCC(CC1)C2 ZINC000925624984 646370287 /nfs/dbraw/zinc/37/02/87/646370287.db2.gz FJRBIPFOJONXDT-HJUHPGBDSA-N 1 3 246.398 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925661198 646395815 /nfs/dbraw/zinc/39/58/15/646395815.db2.gz BTMKVJPLHCYWKK-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925661189 646397130 /nfs/dbraw/zinc/39/71/30/646397130.db2.gz BTMKVJPLHCYWKK-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](F)CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925678176 646406922 /nfs/dbraw/zinc/40/69/22/646406922.db2.gz SJWZGBOLSZQDON-IACUBPJLSA-N 1 3 242.382 2.492 20 0 BEADHO Cc1ccncc1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925689367 646414296 /nfs/dbraw/zinc/41/42/96/646414296.db2.gz IESRDSOOINPOQO-KBPBESRZSA-N 1 3 247.386 2.386 20 0 BEADHO FC1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925714558 646439411 /nfs/dbraw/zinc/43/94/11/646439411.db2.gz ZLQVDUSCCSPOIY-WXRRBKDZSA-N 1 3 240.366 2.389 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)CC(F)F ZINC000925735364 646454578 /nfs/dbraw/zinc/45/45/78/646454578.db2.gz ZMIVAINKEQEYGS-ZJUUUORDSA-N 1 3 234.334 2.385 20 0 BEADHO C[C@@H](NC[C@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000925731524 646455832 /nfs/dbraw/zinc/45/58/32/646455832.db2.gz LTDYEMPQCXLTDJ-AGIUHOORSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H](NC[C@@H]1C=CCC1)[C@H]1CCCC[NH2+]1 ZINC000925731526 646456501 /nfs/dbraw/zinc/45/65/01/646456501.db2.gz LTDYEMPQCXLTDJ-JHJVBQTASA-N 1 3 208.349 2.073 20 0 BEADHO CC1(C)C[C@@]1(C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925733359 646456836 /nfs/dbraw/zinc/45/68/36/646456836.db2.gz HGSDDFFXJLZTFL-YPMHNXCESA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C1(CC2CC2)CC1 ZINC000925734990 646457614 /nfs/dbraw/zinc/45/76/14/646457614.db2.gz WPJGWKBTRNQNQT-ZDUSSCGKSA-N 1 3 234.387 2.441 20 0 BEADHO C[C@H](CCCC[NH3+])NCc1cc(C2CC2)no1 ZINC000925775060 646475910 /nfs/dbraw/zinc/47/59/10/646475910.db2.gz ZNPDUFOYLQGFBL-SNVBAGLBSA-N 1 3 237.347 2.159 20 0 BEADHO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000925782227 646478778 /nfs/dbraw/zinc/47/87/78/646478778.db2.gz ITYCLHHQZYSIEA-FVCCEPFGSA-N 1 3 212.381 2.399 20 0 BEADHO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000925785505 646481055 /nfs/dbraw/zinc/48/10/55/646481055.db2.gz PLJRYAGMRCVNHY-QNWHQSFQSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 ZINC000925784925 646481231 /nfs/dbraw/zinc/48/12/31/646481231.db2.gz OSEQXVVYNJZWCH-MRVWCRGKSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 ZINC000925784923 646481902 /nfs/dbraw/zinc/48/19/02/646481902.db2.gz OSEQXVVYNJZWCH-KWCYVHTRSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000925787120 646482738 /nfs/dbraw/zinc/48/27/38/646482738.db2.gz XCAVYZBACUEAGG-YVECIDJPSA-N 1 3 228.355 2.102 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCC(F)(F)CC1 ZINC000925786750 646483723 /nfs/dbraw/zinc/48/37/23/646483723.db2.gz VTMJQZGYFPMNII-JFGNBEQYSA-N 1 3 246.345 2.398 20 0 BEADHO Cc1nc([C@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)cs1 ZINC000925879940 646529780 /nfs/dbraw/zinc/52/97/80/646529780.db2.gz MSCFIAXCTLASLV-GDPRMGEGSA-N 1 3 239.388 2.230 20 0 BEADHO CC(F)(F)CCC[N@@H+]1CCCC[C@H]1CN ZINC000718573132 711661167 /nfs/dbraw/zinc/66/11/67/711661167.db2.gz VOTAIFGBKGPDPK-JTQLQIEISA-N 1 3 220.307 2.235 20 0 BEADHO CC(F)(F)CCC[N@H+]1CCCC[C@H]1CN ZINC000718573132 711661169 /nfs/dbraw/zinc/66/11/69/711661169.db2.gz VOTAIFGBKGPDPK-JTQLQIEISA-N 1 3 220.307 2.235 20 0 BEADHO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000701983932 712034626 /nfs/dbraw/zinc/03/46/26/712034626.db2.gz IZONWNBNWQMXKO-NQBHXWOUSA-N 1 3 210.365 2.140 20 0 BEADHO CSC1CC([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000706918571 712158214 /nfs/dbraw/zinc/15/82/14/712158214.db2.gz PWVKSLCYNMCZAA-HIFPTAJRSA-N 1 3 242.432 2.202 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000706927317 712161617 /nfs/dbraw/zinc/16/16/17/712161617.db2.gz GSQRQQHTWZHUQP-CQLXCSJHSA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000706927317 712161618 /nfs/dbraw/zinc/16/16/18/712161618.db2.gz GSQRQQHTWZHUQP-CQLXCSJHSA-N 1 3 240.416 2.097 20 0 BEADHO C(C[N@@H+]1CC[C@]2(C1)CCCNC2)C1CCC1 ZINC000709893429 712231338 /nfs/dbraw/zinc/23/13/38/712231338.db2.gz SNAKBFLABMTVCG-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C(C[N@H+]1CC[C@]2(C1)CCCNC2)C1CCC1 ZINC000709893429 712231342 /nfs/dbraw/zinc/23/13/42/712231342.db2.gz SNAKBFLABMTVCG-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C=C/C=C/CCN1CCC[C@H](C[NH2+]C)C1 ZINC000713737165 712470577 /nfs/dbraw/zinc/47/05/77/712470577.db2.gz ZSNTWEOBNXZUKP-MUBLQREKSA-N 1 3 208.349 2.050 20 0 BEADHO CN(C[C@H]1CCCC(C)(C)O1)CC(C)(C)C[NH3+] ZINC000714379846 712480132 /nfs/dbraw/zinc/48/01/32/712480132.db2.gz LUDIVIZJJGKFOA-GFCCVEGCSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCCC(C)(C)O1 ZINC000714374718 712484461 /nfs/dbraw/zinc/48/44/61/712484461.db2.gz NRVRVZLBYLUQPJ-FRRDWIJNSA-N 1 3 240.391 2.146 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCC(C)(C)O1 ZINC000714374720 712484730 /nfs/dbraw/zinc/48/47/30/712484730.db2.gz NRVRVZLBYLUQPJ-UPJWGTAASA-N 1 3 240.391 2.146 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)OC ZINC000715532489 712526185 /nfs/dbraw/zinc/52/61/85/712526185.db2.gz MLNDFDKCAGEFDD-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](CN[C@@H]1CCC[C@H]([NH+](C)C)C1)OC ZINC000715532489 712526186 /nfs/dbraw/zinc/52/61/86/712526186.db2.gz MLNDFDKCAGEFDD-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO CSC1CC([NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000715545641 712527196 /nfs/dbraw/zinc/52/71/96/712527196.db2.gz ZSKPAEYAKUIIOJ-QCXCNERSSA-N 1 3 242.432 2.343 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCC1CC1 ZINC000716412066 712559190 /nfs/dbraw/zinc/55/91/90/712559190.db2.gz GOOWIQICFNLJSZ-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO COCC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000718668899 712776614 /nfs/dbraw/zinc/77/66/14/712776614.db2.gz YWBVHJRVHODQQG-CHWSQXEVSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@H]1OCCN(CCCCCCC[NH3+])[C@H]1C ZINC000380492808 712901199 /nfs/dbraw/zinc/90/11/99/712901199.db2.gz AYTFQNFSUKSUIY-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000723469762 710727772 /nfs/dbraw/zinc/72/77/72/710727772.db2.gz IALMBPNPHJGOON-QNWHQSFQSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000383994984 710988136 /nfs/dbraw/zinc/98/81/36/710988136.db2.gz AATPGSLGIGAVAH-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@]1(C)CCCNC1 ZINC000383994984 710988141 /nfs/dbraw/zinc/98/81/41/710988141.db2.gz AATPGSLGIGAVAH-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([N@H+](C)C[C@@]1(C)CCCNC1)C1(C)CC1 ZINC000385467757 711013447 /nfs/dbraw/zinc/01/34/47/711013447.db2.gz ORWSYBSOILDMJJ-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([N@@H+](C)C[C@@]1(C)CCCNC1)C1(C)CC1 ZINC000385467757 711013448 /nfs/dbraw/zinc/01/34/48/711013448.db2.gz ORWSYBSOILDMJJ-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCSCCN1C[C@@]1(C)CCC[NH2+]C1 ZINC000385583960 711014213 /nfs/dbraw/zinc/01/42/13/711014213.db2.gz XYKQVEMFCLBLRE-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]1C ZINC000385667814 711016227 /nfs/dbraw/zinc/01/62/27/711016227.db2.gz YSVWIGMYPGDVSZ-XMMDLHNASA-N 1 3 248.414 2.397 20 0 BEADHO CC(C)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC000387393610 711041990 /nfs/dbraw/zinc/04/19/90/711041990.db2.gz JQXJFRRZVIKDGB-UTCJRWHESA-N 1 3 216.756 2.201 20 0 BEADHO CC1(C)CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392859075 711153056 /nfs/dbraw/zinc/15/30/56/711153056.db2.gz DGEDSFVGFFMQPT-XNBXPENISA-N 1 3 234.387 2.151 20 0 BEADHO C1[NH2+][C@H]2[C@H](NC3CCCCCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000392980159 711154624 /nfs/dbraw/zinc/15/46/24/711154624.db2.gz ZRDJTCPUMGSHSK-XSXPHNMFSA-N 1 3 234.387 2.295 20 0 BEADHO CCc1ccccc1C[NH2+][C@@H]1CCCN[C@H]1C ZINC000396567803 711354900 /nfs/dbraw/zinc/35/49/00/711354900.db2.gz WLGMVDJZOVRJFG-SWLSCSKDSA-N 1 3 232.371 2.479 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396570676 711355142 /nfs/dbraw/zinc/35/51/42/711355142.db2.gz LESJISNXQSHQNP-NNYUYHANSA-N 1 3 228.405 2.001 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396570675 711355534 /nfs/dbraw/zinc/35/55/34/711355534.db2.gz LESJISNXQSHQNP-KXNHARMFSA-N 1 3 228.405 2.001 20 0 BEADHO CC(C)C1(CN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396703512 711365986 /nfs/dbraw/zinc/36/59/86/711365986.db2.gz LUUKNPROTGXGES-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCNC1CC1 ZINC000383629484 710984063 /nfs/dbraw/zinc/98/40/63/710984063.db2.gz VPBUXESKMDTAMC-DGCLKSJQSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@H+]1CCCNC1CC1 ZINC000383629484 710984066 /nfs/dbraw/zinc/98/40/66/710984066.db2.gz VPBUXESKMDTAMC-DGCLKSJQSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCSCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000385583960 711014206 /nfs/dbraw/zinc/01/42/06/711014206.db2.gz XYKQVEMFCLBLRE-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CCSCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000385583960 711014209 /nfs/dbraw/zinc/01/42/09/711014209.db2.gz XYKQVEMFCLBLRE-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000386552793 711032839 /nfs/dbraw/zinc/03/28/39/711032839.db2.gz HGUTYKXJBXOMLM-XQHKEYJVSA-N 1 3 242.432 2.391 20 0 BEADHO Cc1csc(C[NH2+][C@@H]2CCCN[C@@H]2C)c1 ZINC000396645286 711363594 /nfs/dbraw/zinc/36/35/94/711363594.db2.gz BZANCNPZBDXXJZ-ZYHUDNBSSA-N 1 3 224.373 2.287 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CCCC2CC2)C[C@H]1CN ZINC000397476385 711384290 /nfs/dbraw/zinc/38/42/90/711384290.db2.gz HFQJAQPCDHNTBE-MBNYWOFBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CCCC2CC2)C[C@H]1CN ZINC000397476385 711384294 /nfs/dbraw/zinc/38/42/94/711384294.db2.gz HFQJAQPCDHNTBE-MBNYWOFBSA-N 1 3 224.392 2.482 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCCC1 ZINC000383232507 711481632 /nfs/dbraw/zinc/48/16/32/711481632.db2.gz BNUYGRPQEJXIQG-BTFPBAQTSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)CN(C)C ZINC000723560995 711517912 /nfs/dbraw/zinc/51/79/12/711517912.db2.gz VLBUHXOTRUCWKF-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C([NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1)C1CNC1 ZINC000723659715 711532439 /nfs/dbraw/zinc/53/24/39/711532439.db2.gz VMXVIGOOHJIIJV-MCIONIFRSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CCCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383374307 711646050 /nfs/dbraw/zinc/64/60/50/711646050.db2.gz ZNXOWAFXCQOQNO-SRGUQECISA-N 1 3 234.387 2.151 20 0 BEADHO CC[NH+]1CCC(NC[C@H](C)C(F)(F)F)CC1 ZINC000309473274 711698405 /nfs/dbraw/zinc/69/84/05/711698405.db2.gz RDLAQNWFCACMRT-VIFPVBQESA-N 1 3 238.297 2.259 20 0 BEADHO C(C1CCCC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257644389 711720706 /nfs/dbraw/zinc/72/07/06/711720706.db2.gz BSCDKGGUBMQOAC-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO C(C1CCCC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257644389 711720707 /nfs/dbraw/zinc/72/07/07/711720707.db2.gz BSCDKGGUBMQOAC-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CCC1 ZINC000229077850 711837598 /nfs/dbraw/zinc/83/75/98/711837598.db2.gz GEQFMEZOYWFATQ-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000232720892 711845521 /nfs/dbraw/zinc/84/55/21/711845521.db2.gz COTHKTSTCQJBRA-VXGBXAGGSA-N 1 3 210.365 2.140 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000700812280 712006898 /nfs/dbraw/zinc/00/68/98/712006898.db2.gz HRXWHALCXXTDFG-ZIAGYGMSSA-N 1 3 238.375 2.001 20 0 BEADHO CCCCCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119062 712039479 /nfs/dbraw/zinc/03/94/79/712039479.db2.gz CUHPXWUOQIHPKP-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704797964 712117852 /nfs/dbraw/zinc/11/78/52/712117852.db2.gz OHMRMFJRKQRKCX-FRRDWIJNSA-N 1 3 242.432 2.237 20 0 BEADHO CC[N@H+](CCCNC1CC1)[C@@H](C)C(C)C ZINC000706481197 712147505 /nfs/dbraw/zinc/14/75/05/712147505.db2.gz QLNZUHYTADAENI-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO CC[N@@H+](CCCNC1CC1)[C@@H](C)C(C)C ZINC000706481197 712147508 /nfs/dbraw/zinc/14/75/08/712147508.db2.gz QLNZUHYTADAENI-LBPRGKRZSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC000708208571 712183781 /nfs/dbraw/zinc/18/37/81/712183781.db2.gz YKJLQUOWKUPZSJ-RFQIPJPRSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC000708208571 712183784 /nfs/dbraw/zinc/18/37/84/712183784.db2.gz YKJLQUOWKUPZSJ-RFQIPJPRSA-N 1 3 224.392 2.339 20 0 BEADHO CCC[C@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000708896437 712202477 /nfs/dbraw/zinc/20/24/77/712202477.db2.gz DEZOFMWXTJWKSM-AWEZNQCLSA-N 1 3 242.407 2.397 20 0 BEADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709893794 712231265 /nfs/dbraw/zinc/23/12/65/712231265.db2.gz VAUDDRZCPDJDIT-QXSJWSMHSA-N 1 3 248.414 2.498 20 0 BEADHO C([C@@H]1CC[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709893794 712231266 /nfs/dbraw/zinc/23/12/66/712231266.db2.gz VAUDDRZCPDJDIT-QXSJWSMHSA-N 1 3 248.414 2.498 20 0 BEADHO C[C@H](CC1CCC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000710264560 712250384 /nfs/dbraw/zinc/25/03/84/712250384.db2.gz XBVIBKPAJICNIK-KJCZUFAUSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H]1CSCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000379538597 712387476 /nfs/dbraw/zinc/38/74/76/712387476.db2.gz DRSYCTADWCUIAM-CHWSQXEVSA-N 1 3 242.432 2.061 20 0 BEADHO C[C@H]1CSCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000379538597 712387477 /nfs/dbraw/zinc/38/74/77/712387477.db2.gz DRSYCTADWCUIAM-CHWSQXEVSA-N 1 3 242.432 2.061 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712378710 712428702 /nfs/dbraw/zinc/42/87/02/712428702.db2.gz RHUPXNVQXLIWRY-QSLWVIQJSA-N 1 3 222.376 2.282 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712734926 712448797 /nfs/dbraw/zinc/44/87/97/712448797.db2.gz RYJIZSMDSREMEA-RFGFWPKPSA-N 1 3 222.376 2.140 20 0 BEADHO C=C/C=C\CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000713640269 712467877 /nfs/dbraw/zinc/46/78/77/712467877.db2.gz FJVKZSNFYFOAIF-YOQOKRQFSA-N 1 3 220.360 2.050 20 0 BEADHO C=C/C=C\CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000713753757 712470984 /nfs/dbraw/zinc/47/09/84/712470984.db2.gz FGBIVYHQVQOHEB-BKQJUZCRSA-N 1 3 222.376 2.424 20 0 BEADHO C=C/C=C\CC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000713753757 712470986 /nfs/dbraw/zinc/47/09/86/712470986.db2.gz FGBIVYHQVQOHEB-BKQJUZCRSA-N 1 3 222.376 2.424 20 0 BEADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CCCC(C)(C)O2)C1 ZINC000714375221 712484494 /nfs/dbraw/zinc/48/44/94/712484494.db2.gz SEHQGDIAUYSEIS-OCCSQVGLSA-N 1 3 240.391 2.005 20 0 BEADHO C[NH+](C)C1(C)CCC(NCc2ccon2)CC1 ZINC000715250822 712514274 /nfs/dbraw/zinc/51/42/74/712514274.db2.gz BLNQFFDKIVQDDM-UHFFFAOYSA-N 1 3 237.347 2.027 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715600094 712527747 /nfs/dbraw/zinc/52/77/47/712527747.db2.gz ICKMLSBPIRKXSS-AVGNSLFASA-N 1 3 242.432 2.379 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717070359 712628024 /nfs/dbraw/zinc/62/80/24/712628024.db2.gz SFASGJXIUSGEIX-VJTDZRGJSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@@H](NC1CCC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000718020720 712736766 /nfs/dbraw/zinc/73/67/66/712736766.db2.gz VVZIAKPUBUUPTQ-YPMHNXCESA-N 1 3 208.349 2.215 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCSC1)CN1CCCCC1 ZINC000038041654 712801460 /nfs/dbraw/zinc/80/14/60/712801460.db2.gz GIKKLCGTDAZDLJ-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO CSC1CCC(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000720536172 712849636 /nfs/dbraw/zinc/84/96/36/712849636.db2.gz JGGWKQOPLDMFMV-ZBOXLXRLSA-N 1 3 242.432 2.106 20 0 BEADHO CS[C@H](C)CC[NH+]1CCC2(CN(C)C2)CC1 ZINC001208155992 957036484 /nfs/dbraw/zinc/03/64/84/957036484.db2.gz USMFHAZGALPGSU-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO CS[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693665902 959180818 /nfs/dbraw/zinc/18/08/18/959180818.db2.gz WJIZYLZXXSDAMR-WISYIIOYSA-N 1 3 242.432 2.104 20 0 BEADHO CS[C@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693665902 959180824 /nfs/dbraw/zinc/18/08/24/959180824.db2.gz WJIZYLZXXSDAMR-WISYIIOYSA-N 1 3 242.432 2.104 20 0 BEADHO CNCCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC000695598969 960295108 /nfs/dbraw/zinc/29/51/08/960295108.db2.gz PUBHMHHUWBKQQC-UHFFFAOYSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000695598969 960295118 /nfs/dbraw/zinc/29/51/18/960295118.db2.gz PUBHMHHUWBKQQC-UHFFFAOYSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675189 960348197 /nfs/dbraw/zinc/34/81/97/960348197.db2.gz RZULGRPPQJXESS-OUAUKWLOSA-N 1 3 230.783 2.219 20 0 BEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1(Cl)CC1 ZINC000695675189 960348204 /nfs/dbraw/zinc/34/82/04/960348204.db2.gz RZULGRPPQJXESS-OUAUKWLOSA-N 1 3 230.783 2.219 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C)C1 ZINC000710448751 962379598 /nfs/dbraw/zinc/37/95/98/962379598.db2.gz ZTNXAKBDJYQRAY-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H]1CN)C(C)(F)F ZINC000696621527 963299261 /nfs/dbraw/zinc/29/92/61/963299261.db2.gz RJYLEFCIUUIXJE-UWVGGRQHSA-N 1 3 234.334 2.385 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]CC[C@@H]1CCCN1C ZINC000822123671 963939392 /nfs/dbraw/zinc/93/93/92/963939392.db2.gz ABJLJEBALCUXQJ-AAEUAGOBSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H](CC[NH2+]Cc1ccccc1)N(C)C ZINC000697871132 964600246 /nfs/dbraw/zinc/60/02/46/964600246.db2.gz NUMAYGGVVYUMFP-LBPRGKRZSA-N 1 3 206.333 2.116 20 0 BEADHO C[C@@H](C[NH3+])CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465697 965811324 /nfs/dbraw/zinc/81/13/24/965811324.db2.gz VGVYVYHVFCXZTQ-RYUDHWBXSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@H](CN)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465697 965811332 /nfs/dbraw/zinc/81/13/32/965811332.db2.gz VGVYVYHVFCXZTQ-RYUDHWBXSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001168465697 965811344 /nfs/dbraw/zinc/81/13/44/965811344.db2.gz VGVYVYHVFCXZTQ-RYUDHWBXSA-N 1 3 238.350 2.283 20 0 BEADHO Cc1nc(CNCCCCCC[NH3+])cs1 ZINC000049539029 1165742056 /nfs/dbraw/zinc/74/20/56/1165742056.db2.gz UBLDCVRHDSXRLK-UHFFFAOYSA-N 1 3 227.377 2.060 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CCO1 ZINC000715583356 967195229 /nfs/dbraw/zinc/19/52/29/967195229.db2.gz JWTVQZNMMYOURA-SYQHCUMBSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCCOC1)N1CCCCC1 ZINC001205391967 967619622 /nfs/dbraw/zinc/61/96/22/967619622.db2.gz XXESBNMUZGWNEF-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](CCN[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001205391967 967619644 /nfs/dbraw/zinc/61/96/44/967619644.db2.gz XXESBNMUZGWNEF-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCC[C@@H](C)C1)N(C)C ZINC000697878751 968050442 /nfs/dbraw/zinc/05/04/42/968050442.db2.gz LMQCEVGFNWGBSM-FRRDWIJNSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1cnccc1Nc1cc[nH+]c(N)c1 ZINC000257655423 1166067971 /nfs/dbraw/zinc/06/79/71/1166067971.db2.gz HHKXNEFTFMBBEJ-UHFFFAOYSA-N 1 3 200.245 2.111 20 0 BEADHO C[NH+](C)CC(C)(C)CN1CCC[C@@H]2C[C@@H]21 ZINC001207283588 968718436 /nfs/dbraw/zinc/71/84/36/968718436.db2.gz AHNKKKVETOFFJT-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCNC1CC1 ZINC000399667437 1166250508 /nfs/dbraw/zinc/25/05/08/1166250508.db2.gz MRNMZDUNXGKPEF-GRYCIOLGSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCNC1CC1 ZINC000399667437 1166250511 /nfs/dbraw/zinc/25/05/11/1166250511.db2.gz MRNMZDUNXGKPEF-GRYCIOLGSA-N 1 3 210.365 2.105 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@H](C(F)F)C2)C1 ZINC001208612794 969173844 /nfs/dbraw/zinc/17/38/44/969173844.db2.gz NZDJGQOJYFIZRE-NWDGAFQWSA-N 1 3 246.345 2.305 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CCC[C@@H](C(F)F)C2)C1 ZINC001208612794 969173848 /nfs/dbraw/zinc/17/38/48/969173848.db2.gz NZDJGQOJYFIZRE-NWDGAFQWSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1C[C@@H]([N@H+](C)CCCN)CC(C)(C)C1 ZINC000227741933 1166307315 /nfs/dbraw/zinc/30/73/15/1166307315.db2.gz JKIWMZIRWASWGS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+](C)CCCN)CC(C)(C)C1 ZINC000227741933 1166307319 /nfs/dbraw/zinc/30/73/19/1166307319.db2.gz JKIWMZIRWASWGS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CN(C)C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000148546025 1166338582 /nfs/dbraw/zinc/33/85/82/1166338582.db2.gz FCJPUIRTJNKVGT-UHFFFAOYSA-N 1 3 244.382 2.180 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccs1)C2 ZINC001169080942 969404427 /nfs/dbraw/zinc/40/44/27/969404427.db2.gz NXHYULAMQYJKFI-ZSBIGDGJSA-N 1 3 236.384 2.463 20 0 BEADHO [NH3+][C@H]1C[C@H](NCCc2ccc(F)cc2)C12CCC2 ZINC000405201581 1166403942 /nfs/dbraw/zinc/40/39/42/1166403942.db2.gz CVSATXQTDRYVJX-KBPBESRZSA-N 1 3 248.345 2.228 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(F)cc2)C12CCC2 ZINC000405201594 1166403974 /nfs/dbraw/zinc/40/39/74/1166403974.db2.gz CVSATXQTDRYVJX-ZIAGYGMSSA-N 1 3 248.345 2.228 20 0 BEADHO Cc1ccc(CN2CCC(C[NH+](C)C)CC2)[nH]1 ZINC001209572246 969553516 /nfs/dbraw/zinc/55/35/16/969553516.db2.gz DYIKRKCQMWAFJC-UHFFFAOYSA-N 1 3 235.375 2.097 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCCCC[C@H]2C)CCN1 ZINC000252952868 1166448982 /nfs/dbraw/zinc/44/89/82/1166448982.db2.gz PWCBBFFZNBJJBI-UPJWGTAASA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCCCC[C@H]2C)CCN1 ZINC000252952868 1166448986 /nfs/dbraw/zinc/44/89/86/1166448986.db2.gz PWCBBFFZNBJJBI-UPJWGTAASA-N 1 3 210.365 2.391 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000309044782 1166471712 /nfs/dbraw/zinc/47/17/12/1166471712.db2.gz NSHHPLAJFGSSND-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)CC2)C[C@H]1F ZINC001254516494 969685963 /nfs/dbraw/zinc/68/59/63/969685963.db2.gz NEBYONGCHIRDOX-FRRDWIJNSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@@H]1CC[N@H+]([C@H]2CCCN(C)CC2)C[C@H]1F ZINC001254516494 969685970 /nfs/dbraw/zinc/68/59/70/969685970.db2.gz NEBYONGCHIRDOX-FRRDWIJNSA-N 1 3 228.355 2.151 20 0 BEADHO CCCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001255324868 970102272 /nfs/dbraw/zinc/10/22/72/970102272.db2.gz GXOOZGXZFKRSKI-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO CCCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001255324868 970102280 /nfs/dbraw/zinc/10/22/80/970102280.db2.gz GXOOZGXZFKRSKI-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO CCOCCC[NH2+][C@@H](C)CCN(CC)CC ZINC001255939846 970572352 /nfs/dbraw/zinc/57/23/52/970572352.db2.gz KTLQMIMYDOFQJE-ZDUSSCGKSA-N 1 3 230.396 2.123 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001255954371 970576366 /nfs/dbraw/zinc/57/63/66/970576366.db2.gz VOZQLFCSAXSRIX-MJBXVCDLSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255943568 970578538 /nfs/dbraw/zinc/57/85/38/970578538.db2.gz OBELEOGVZFPWAS-MELADBBJSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC001255948096 970582068 /nfs/dbraw/zinc/58/20/68/970582068.db2.gz DYJCSMHPZPFWJY-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@]1(C)CCCOC1 ZINC001255955348 970586297 /nfs/dbraw/zinc/58/62/97/970586297.db2.gz RFQMRUAWWQVZQV-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@]1(C)CCCOC1 ZINC001255955348 970586304 /nfs/dbraw/zinc/58/63/04/970586304.db2.gz RFQMRUAWWQVZQV-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@H](COC)C1 ZINC001255957074 970592254 /nfs/dbraw/zinc/59/22/54/970592254.db2.gz OQVBVLZDVBZQJB-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@H](COC)C1 ZINC001255957074 970592267 /nfs/dbraw/zinc/59/22/67/970592267.db2.gz OQVBVLZDVBZQJB-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@@H](COC)C1 ZINC001255957074 970592272 /nfs/dbraw/zinc/59/22/72/970592272.db2.gz OQVBVLZDVBZQJB-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](C)[C@@H]1CCCO1 ZINC001255955637 970593472 /nfs/dbraw/zinc/59/34/72/970593472.db2.gz VVDWTFRHROQINK-RDBSUJKOSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC001255955637 970593478 /nfs/dbraw/zinc/59/34/78/970593478.db2.gz VVDWTFRHROQINK-RDBSUJKOSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC001255956749 970594895 /nfs/dbraw/zinc/59/48/95/970594895.db2.gz MCXFSMOPAAOKLB-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)C1 ZINC001255956749 970594905 /nfs/dbraw/zinc/59/49/05/970594905.db2.gz MCXFSMOPAAOKLB-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@H]1CC[C@H]([N@@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428694 1166917365 /nfs/dbraw/zinc/91/73/65/1166917365.db2.gz SDZDPUKCZQAGQD-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1CC[C@H]([N@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428694 1166917372 /nfs/dbraw/zinc/91/73/72/1166917372.db2.gz SDZDPUKCZQAGQD-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CN(C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202728 970705147 /nfs/dbraw/zinc/70/51/47/970705147.db2.gz LHRVUXGEPNYNKA-SNVBAGLBSA-N 1 3 232.318 2.058 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CCO1 ZINC001173170134 975062290 /nfs/dbraw/zinc/06/22/90/975062290.db2.gz JWTVQZNMMYOURA-REWJHTLYSA-N 1 3 240.391 2.016 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949401 1167005496 /nfs/dbraw/zinc/00/54/96/1167005496.db2.gz WWQTWCMGXFKSCW-OYQDBORRSA-N 1 3 234.387 2.059 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949401 1167005501 /nfs/dbraw/zinc/00/55/01/1167005501.db2.gz WWQTWCMGXFKSCW-OYQDBORRSA-N 1 3 234.387 2.059 20 0 BEADHO C[NH2+]CC[C@H]1CCCCN1CC1CC(F)(F)C1 ZINC000383126542 1167114066 /nfs/dbraw/zinc/11/40/66/1167114066.db2.gz HLKUDBLIBDMXMJ-GFCCVEGCSA-N 1 3 246.345 2.496 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H](CN)C2)C1 ZINC000308800138 1167200159 /nfs/dbraw/zinc/20/01/59/1167200159.db2.gz DJVGPPMTVMUBFL-JHJVBQTASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](CN)C2)C1 ZINC000308800138 1167200166 /nfs/dbraw/zinc/20/01/66/1167200166.db2.gz DJVGPPMTVMUBFL-JHJVBQTASA-N 1 3 210.365 2.236 20 0 BEADHO CNC[C@H]1CCC[N@@H+]1[C@H](C)CCC(C)C ZINC000169240295 1167452734 /nfs/dbraw/zinc/45/27/34/1167452734.db2.gz NEIUOPNINPGMPK-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CNC[C@H]1CCC[N@H+]1[C@H](C)CCC(C)C ZINC000169240295 1167452738 /nfs/dbraw/zinc/45/27/38/1167452738.db2.gz NEIUOPNINPGMPK-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@H](C)[C@@H](CNC[C@]1(C)CCC[NH2+]C1)OC ZINC000381381334 1167547766 /nfs/dbraw/zinc/54/77/66/1167547766.db2.gz LNRPYBLMNRXGIA-BFHYXJOUSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@H](CC[NH2+]C[C@]1(C)CCCS1)N(C)C ZINC000697886540 1167554290 /nfs/dbraw/zinc/55/42/90/1167554290.db2.gz IAPDAYUWPUOLLJ-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCNC[C@H]3C2)C[C@H]1C ZINC000310397860 1167682868 /nfs/dbraw/zinc/68/28/68/1167682868.db2.gz MIFPGUTWJHAJDJ-MRLBHPIUSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCNC[C@H]3C2)C[C@H]1C ZINC000310397860 1167682871 /nfs/dbraw/zinc/68/28/71/1167682871.db2.gz MIFPGUTWJHAJDJ-MRLBHPIUSA-N 1 3 236.403 2.352 20 0 BEADHO CCC(CC)C[N@@H+]1CCCC2(CNC2)C1 ZINC001235710876 979129515 /nfs/dbraw/zinc/12/95/15/979129515.db2.gz JGQKLDDOLHFYDZ-UHFFFAOYSA-N 1 3 210.365 2.108 20 0 BEADHO CCC(CC)C[N@H+]1CCCC2(CNC2)C1 ZINC001235710876 979129520 /nfs/dbraw/zinc/12/95/20/979129520.db2.gz JGQKLDDOLHFYDZ-UHFFFAOYSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H]1C(C)C ZINC000251435569 1168238136 /nfs/dbraw/zinc/23/81/36/1168238136.db2.gz UBQHAICHLBADPT-STQMWFEESA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@H]1C(C)C ZINC000251435569 1168238139 /nfs/dbraw/zinc/23/81/39/1168238139.db2.gz UBQHAICHLBADPT-STQMWFEESA-N 1 3 212.381 2.338 20 0 BEADHO CCC1CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC000042515302 1168394030 /nfs/dbraw/zinc/39/40/30/1168394030.db2.gz HQWJCBBOXMQRAQ-PNESKVBLSA-N 1 3 212.381 2.482 20 0 BEADHO CCC1CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC000042515302 1168394038 /nfs/dbraw/zinc/39/40/38/1168394038.db2.gz HQWJCBBOXMQRAQ-PNESKVBLSA-N 1 3 212.381 2.482 20 0 BEADHO C1C[N@H+]([C@H]2CCCSC2)[C@@]2(C1)CCCNC2 ZINC000257696481 1168608265 /nfs/dbraw/zinc/60/82/65/1168608265.db2.gz KHNUJBKVWPHHAZ-QWHCGFSZSA-N 1 3 240.416 2.100 20 0 BEADHO C1C[N@@H+]([C@H]2CCCSC2)[C@@]2(C1)CCCNC2 ZINC000257696481 1168608275 /nfs/dbraw/zinc/60/82/75/1168608275.db2.gz KHNUJBKVWPHHAZ-QWHCGFSZSA-N 1 3 240.416 2.100 20 0 BEADHO CC[C@H](C)C[NH+]1CCC(N(C)CC)CC1 ZINC001201517247 983315247 /nfs/dbraw/zinc/31/52/47/983315247.db2.gz OSHNZFQZUIXVBW-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCCC[NH+]1CCC(N(C)C2CC2)CC1 ZINC001201717229 983421615 /nfs/dbraw/zinc/42/16/15/983421615.db2.gz GYQDTRMOCAXDON-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO CCCCC[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201743954 983450572 /nfs/dbraw/zinc/45/05/72/983450572.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001201743954 983450579 /nfs/dbraw/zinc/45/05/79/983450579.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCCN1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001201743954 983450585 /nfs/dbraw/zinc/45/05/85/983450585.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO CCCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201755902 983457897 /nfs/dbraw/zinc/45/78/97/983457897.db2.gz BGLZWBPRNJTNFC-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H](Cc1ccco1)[NH2+]CC1(N)CCCC1 ZINC000042594174 1169086521 /nfs/dbraw/zinc/08/65/21/1169086521.db2.gz LTYOXJFFDQYUEH-LLVKDONJSA-N 1 3 222.332 2.072 20 0 BEADHO CCCC[C@H](O)CNC1CC[NH+](CCC)CC1 ZINC001252107176 983670448 /nfs/dbraw/zinc/67/04/48/983670448.db2.gz GDVMYENAMQCPCJ-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO CC(C)COCC[C@H](C)[N@H+](CCCN)C(C)C ZINC001172458194 974823318 /nfs/dbraw/zinc/82/33/18/974823318.db2.gz WUZOGQPQDUJOHH-AWEZNQCLSA-N 1 3 244.423 2.497 20 0 BEADHO CC(C)COCC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001172458194 974823320 /nfs/dbraw/zinc/82/33/20/974823320.db2.gz WUZOGQPQDUJOHH-AWEZNQCLSA-N 1 3 244.423 2.497 20 0 BEADHO C[C@H](CC(F)(F)F)N1CCCC[C@H](C[NH3+])C1 ZINC001246596743 973015071 /nfs/dbraw/zinc/01/50/71/973015071.db2.gz VJLKEMZPRRWOHH-NXEZZACHSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@H]1CC[C@H](NCC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898765 973391367 /nfs/dbraw/zinc/39/13/67/973391367.db2.gz DNVDWKWNOJBLHI-UWVGGRQHSA-N 1 3 232.318 2.152 20 0 BEADHO CCCN(CCC[NH3+])[C@H](C)Cc1ccccn1 ZINC001256397552 970806361 /nfs/dbraw/zinc/80/63/61/970806361.db2.gz SFNZJISSRGEHLY-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccccn1 ZINC001256397552 970806366 /nfs/dbraw/zinc/80/63/66/970806366.db2.gz SFNZJISSRGEHLY-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccccn1 ZINC001256397552 970806375 /nfs/dbraw/zinc/80/63/75/970806375.db2.gz SFNZJISSRGEHLY-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCCOCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256561965 970862105 /nfs/dbraw/zinc/86/21/05/970862105.db2.gz RLOIDBHXPFENSM-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO CN1CC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203915139 1169470096 /nfs/dbraw/zinc/47/00/96/1169470096.db2.gz KIQZLOUQKOGHEW-UHFFFAOYSA-N 1 3 248.345 2.353 20 0 BEADHO C[NH+]1CC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC001203915139 1169470101 /nfs/dbraw/zinc/47/01/01/1169470101.db2.gz KIQZLOUQKOGHEW-UHFFFAOYSA-N 1 3 248.345 2.353 20 0 BEADHO CC[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679052 970918363 /nfs/dbraw/zinc/91/83/63/970918363.db2.gz AIENKDXAUWTTET-IYXRBSQSSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](Cc1ccncc1)[NH2+]CC[C@@H]1CCCN1C ZINC001256722949 970942990 /nfs/dbraw/zinc/94/29/90/970942990.db2.gz LZGOOLKVGVOWEH-ZFWWWQNUSA-N 1 3 247.386 2.087 20 0 BEADHO C[C@H](Cc1ccncc1)[NH2+]CC[C@H]1CCCN1C ZINC001256722948 970945278 /nfs/dbraw/zinc/94/52/78/970945278.db2.gz LZGOOLKVGVOWEH-UKRRQHHQSA-N 1 3 247.386 2.087 20 0 BEADHO CC[C@@H]1CN(CCCCCC[NH3+])[C@H](C)CO1 ZINC000403862634 971073642 /nfs/dbraw/zinc/07/36/42/971073642.db2.gz WJLPSIAEFMPDGK-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073825 971088904 /nfs/dbraw/zinc/08/89/04/971088904.db2.gz WIZZKVSGXAHAQB-CLLJXQQHSA-N 1 3 228.380 2.002 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257073825 971088908 /nfs/dbraw/zinc/08/89/08/971088908.db2.gz WIZZKVSGXAHAQB-CLLJXQQHSA-N 1 3 228.380 2.002 20 0 BEADHO CCCN1C[C@@H]2C[NH+](C3CCCC3)C[C@H]2C1 ZINC001257355254 971271169 /nfs/dbraw/zinc/27/11/69/971271169.db2.gz SHRANNRJCPDDJE-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@](C)(N)C1)c1ccccc1 ZINC000405734527 971301755 /nfs/dbraw/zinc/30/17/55/971301755.db2.gz ACHMGDPWSKJXAF-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@](C)(N)C1)c1ccccc1 ZINC000405734527 971301763 /nfs/dbraw/zinc/30/17/63/971301763.db2.gz ACHMGDPWSKJXAF-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO CCCC[C@H](CC)[N@H+](C)C[C@H](C)CN ZINC001257413454 971300598 /nfs/dbraw/zinc/30/05/98/971300598.db2.gz WLLIHEDWXPWMKJ-NEPJUHHUSA-N 1 3 200.370 2.482 20 0 BEADHO CCCC[C@H](CC)[N@@H+](C)C[C@H](C)CN ZINC001257413454 971300602 /nfs/dbraw/zinc/30/06/02/971300602.db2.gz WLLIHEDWXPWMKJ-NEPJUHHUSA-N 1 3 200.370 2.482 20 0 BEADHO CCCC[C@@H](CC)[N@H+](C)C[C@H](C)CN ZINC001257413457 971301459 /nfs/dbraw/zinc/30/14/59/971301459.db2.gz WLLIHEDWXPWMKJ-VXGBXAGGSA-N 1 3 200.370 2.482 20 0 BEADHO CCCC[C@@H](CC)[N@@H+](C)C[C@H](C)CN ZINC001257413457 971301466 /nfs/dbraw/zinc/30/14/66/971301466.db2.gz WLLIHEDWXPWMKJ-VXGBXAGGSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)(CCN1C[C@@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000406049745 971349347 /nfs/dbraw/zinc/34/93/47/971349347.db2.gz GLDQQWLNOQGPCK-GFCCVEGCSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)[N@H+](CCCN)C1CCC2(COC2)CC1 ZINC001257895947 971529025 /nfs/dbraw/zinc/52/90/25/971529025.db2.gz AVTJWENRHYDTGT-UHFFFAOYSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)[N@@H+](CCCN)C1CCC2(COC2)CC1 ZINC001257895947 971529032 /nfs/dbraw/zinc/52/90/32/971529032.db2.gz AVTJWENRHYDTGT-UHFFFAOYSA-N 1 3 240.391 2.005 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CCOC ZINC000309654796 971724413 /nfs/dbraw/zinc/72/44/13/971724413.db2.gz PHCHBOQBUATWPV-CHWSQXEVSA-N 1 3 230.396 2.121 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001172326022 974530436 /nfs/dbraw/zinc/53/04/36/974530436.db2.gz ABXKNBXOUHCQKK-AGIUHOORSA-N 1 3 230.396 2.107 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172326022 974530441 /nfs/dbraw/zinc/53/04/41/974530441.db2.gz ABXKNBXOUHCQKK-AGIUHOORSA-N 1 3 230.396 2.107 20 0 BEADHO CC(C)c1ccccc1N[C@H](N)CCC[NH3+] ZINC001170898030 972056450 /nfs/dbraw/zinc/05/64/50/972056450.db2.gz BCAFCAOHXCMTRB-ZDUSSCGKSA-N 1 3 221.348 2.246 20 0 BEADHO Cc1cc(Cl)cc(N[C@@H](N)CCC[NH3+])c1 ZINC001170900274 972065415 /nfs/dbraw/zinc/06/54/15/972065415.db2.gz JWMCQTFZBXMCHW-LLVKDONJSA-N 1 3 227.739 2.084 20 0 BEADHO CCCc1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900588 972065783 /nfs/dbraw/zinc/06/57/83/972065783.db2.gz MKJPTCQFBYDQJI-ZDUSSCGKSA-N 1 3 221.348 2.075 20 0 BEADHO CCn1ccc2cc(N[C@@H](N)CCC[NH3+])ccc21 ZINC001170902879 972073764 /nfs/dbraw/zinc/07/37/64/972073764.db2.gz GSIZZMNCEDUDEG-CQSZACIVSA-N 1 3 246.358 2.097 20 0 BEADHO CSc1cc(N[C@H](N)CCC[NH3+])ccc1C ZINC001170903261 972074880 /nfs/dbraw/zinc/07/48/80/972074880.db2.gz ISCCFYUJHFPYBC-LBPRGKRZSA-N 1 3 239.388 2.153 20 0 BEADHO CC(C)(C[NH3+])N[C@H]1CCc2cccc(F)c2C1 ZINC001170950793 972138276 /nfs/dbraw/zinc/13/82/76/972138276.db2.gz UGGGEEHQKQIRDV-NSHDSACASA-N 1 3 236.334 2.010 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CNC[C@@H]1C ZINC001246113525 972177082 /nfs/dbraw/zinc/17/70/82/972177082.db2.gz BZPHTLXVGIGPLH-YVECIDJPSA-N 1 3 212.381 2.399 20 0 BEADHO CCCC(CCC)[NH2+][C@H]1CNCC12CC2 ZINC001246136369 972191288 /nfs/dbraw/zinc/19/12/88/972191288.db2.gz WMPOUODSHDVEDS-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@H](NC2(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246187046 972212333 /nfs/dbraw/zinc/21/23/33/972212333.db2.gz FPYQQIHGEMKXTG-DZGCQCFKSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC2)CCN1 ZINC001246187046 972212341 /nfs/dbraw/zinc/21/23/41/972212341.db2.gz FPYQQIHGEMKXTG-DZGCQCFKSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)CC(C)(C)C1 ZINC001246190714 972212839 /nfs/dbraw/zinc/21/28/39/972212839.db2.gz RRESNSRJXWDVKA-KKOKHZNYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@H]1C[C@@H](NC2(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246187049 972213019 /nfs/dbraw/zinc/21/30/19/972213019.db2.gz FPYQQIHGEMKXTG-ZFWWWQNUSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC2)CCN1 ZINC001246187049 972213024 /nfs/dbraw/zinc/21/30/24/972213024.db2.gz FPYQQIHGEMKXTG-ZFWWWQNUSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@H]1C[C@H](NC[C@@H]2CC[NH2+]2)CC(C)(C)C1 ZINC001246216908 972218721 /nfs/dbraw/zinc/21/87/21/972218721.db2.gz JHPGLFIUQJOVBS-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO CN(C)CCC[N@H+](C)CCc1cccc(F)c1 ZINC001208195979 957075047 /nfs/dbraw/zinc/07/50/47/957075047.db2.gz KOARLTIIJSQXOE-UHFFFAOYSA-N 1 3 238.350 2.252 20 0 BEADHO CN(C)CCC[N@@H+](C)CCc1cccc(F)c1 ZINC001208195979 957075058 /nfs/dbraw/zinc/07/50/58/957075058.db2.gz KOARLTIIJSQXOE-UHFFFAOYSA-N 1 3 238.350 2.252 20 0 BEADHO C[C@H]1CC[C@H](NCCCCc2ccccn2)C[NH2+]1 ZINC001246241039 972243344 /nfs/dbraw/zinc/24/33/44/972243344.db2.gz VFJIUMHJNVGKQC-ZFWWWQNUSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)CN1 ZINC001246248528 972249979 /nfs/dbraw/zinc/24/99/79/972249979.db2.gz YNOYVXDSTGRKTR-DGCLKSJQSA-N 1 3 243.354 2.398 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC23CNC3)cc1 ZINC001246445257 972312994 /nfs/dbraw/zinc/31/29/94/972312994.db2.gz NEPOVSUAVOJIFP-ZFWWWQNUSA-N 1 3 244.382 2.268 20 0 BEADHO CCCCC[C@H](CC)[NH2+][C@H]1CC12CNC2 ZINC001246441931 972313852 /nfs/dbraw/zinc/31/38/52/972313852.db2.gz ATXQZUFWQQCWSQ-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CC[C@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246466024 972338998 /nfs/dbraw/zinc/33/89/98/972338998.db2.gz KEHXUSNSDMBCCS-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246466025 972340616 /nfs/dbraw/zinc/34/06/16/972340616.db2.gz KEHXUSNSDMBCCS-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000398805635 958397118 /nfs/dbraw/zinc/39/71/18/958397118.db2.gz PHFDSOQEVYHZHT-YNEHKIRRSA-N 1 3 236.359 2.046 20 0 BEADHO C[C@H]1CC[C@@H](NCC2(C)CCCC2)C[NH2+]1 ZINC000398946723 958453338 /nfs/dbraw/zinc/45/33/38/958453338.db2.gz BHFLGPNYKDAJOA-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CSCC[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000707909428 958812323 /nfs/dbraw/zinc/81/23/23/958812323.db2.gz HXMJSQJESRDPSZ-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CSCC[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000707909430 958810523 /nfs/dbraw/zinc/81/05/23/958810523.db2.gz HXMJSQJESRDPSZ-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC001222141452 972386885 /nfs/dbraw/zinc/38/68/85/972386885.db2.gz MJDLCTPHQVJXFB-XUWVNRHRSA-N 1 3 246.398 2.274 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC001222141452 972386894 /nfs/dbraw/zinc/38/68/94/972386894.db2.gz MJDLCTPHQVJXFB-XUWVNRHRSA-N 1 3 246.398 2.274 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222232898 972414500 /nfs/dbraw/zinc/41/45/00/972414500.db2.gz YKXBGZNFJAGNPV-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222232898 972414510 /nfs/dbraw/zinc/41/45/10/972414510.db2.gz YKXBGZNFJAGNPV-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1cccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000405277428 959430919 /nfs/dbraw/zinc/43/09/19/959430919.db2.gz XSQZRAUPZPFBKA-HUUCEWRRSA-N 1 3 244.382 2.397 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CCCC[C@H](CN)C1 ZINC000308799150 959504934 /nfs/dbraw/zinc/50/49/34/959504934.db2.gz DFKZPGBYUUELOQ-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CCCC[C@H](CN)C1 ZINC000308799150 959504943 /nfs/dbraw/zinc/50/49/43/959504943.db2.gz DFKZPGBYUUELOQ-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H]1C[N@@H+](C2CCC3(CC3)CC2)C[C@H]1CN ZINC000708829636 959859957 /nfs/dbraw/zinc/85/99/57/959859957.db2.gz FDPXNDIBZSBUEV-NWDGAFQWSA-N 1 3 222.376 2.236 20 0 BEADHO C[C@H]1C[N@H+](C2CCC3(CC3)CC2)C[C@H]1CN ZINC000708829636 959859967 /nfs/dbraw/zinc/85/99/67/959859967.db2.gz FDPXNDIBZSBUEV-NWDGAFQWSA-N 1 3 222.376 2.236 20 0 BEADHO C[C@H]1C[N@@H+](C2CCC(C)(C)CC2)C[C@H]1CN ZINC000708875847 960002819 /nfs/dbraw/zinc/00/28/19/960002819.db2.gz RQOMNYCPBKGQEN-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[N@H+](C2CCC(C)(C)CC2)C[C@H]1CN ZINC000708875847 960002838 /nfs/dbraw/zinc/00/28/38/960002838.db2.gz RQOMNYCPBKGQEN-NWDGAFQWSA-N 1 3 224.392 2.482 20 0 BEADHO CN(CCC1CC[NH+](C)CC1)Cc1cccnc1 ZINC001207479779 960356461 /nfs/dbraw/zinc/35/64/61/960356461.db2.gz NMKGDBCDBQQGRA-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO C1CC12CCC[C@H](N[C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)C2 ZINC000695700217 960383147 /nfs/dbraw/zinc/38/31/47/960383147.db2.gz MFUYDCITWRGZLE-UQGHGMQMSA-N 1 3 246.398 2.295 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695765017 960442958 /nfs/dbraw/zinc/44/29/58/960442958.db2.gz SJMJIVGBCPSFMD-AVGNSLFASA-N 1 3 222.376 2.426 20 0 BEADHO Cl/C=C/CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692915157 961321389 /nfs/dbraw/zinc/32/13/89/961321389.db2.gz LSKNFKZVXNRRAH-ZABGRMTBSA-N 1 3 242.794 2.451 20 0 BEADHO Cl/C=C/CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000692915154 961322110 /nfs/dbraw/zinc/32/21/10/961322110.db2.gz LSKNFKZVXNRRAH-NHEDYWLLSA-N 1 3 242.794 2.451 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167914958 961839782 /nfs/dbraw/zinc/83/97/82/961839782.db2.gz ZDKLQCZROABFFU-XHJNMGKDSA-N 1 3 222.376 2.247 20 0 BEADHO Cc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc2[nH]ccc21 ZINC001158178402 963821212 /nfs/dbraw/zinc/82/12/12/963821212.db2.gz PUTJGHOZAQVUSL-UWVGGRQHSA-N 1 3 244.342 2.058 20 0 BEADHO Cc1nc(N(C)C(C)(C)C[NH3+])cc2[nH]ccc21 ZINC001159055447 963989610 /nfs/dbraw/zinc/98/96/10/963989610.db2.gz NYKKAPCQPNBUFF-UHFFFAOYSA-N 1 3 232.331 2.045 20 0 BEADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1ccncc1 ZINC001256747087 1169836846 /nfs/dbraw/zinc/83/68/46/1169836846.db2.gz CLJNPUWJPHQDEK-AWEZNQCLSA-N 1 3 249.402 2.286 20 0 BEADHO CC(C)CCC[NH2+]CC[C@H](C)N(C)C ZINC000697825491 964549371 /nfs/dbraw/zinc/54/93/71/964549371.db2.gz PBJDXOMPLYHXOW-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N(C)C ZINC000697869828 964594825 /nfs/dbraw/zinc/59/48/25/964594825.db2.gz IXSHDOMEIHBGTQ-FVCCEPFGSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H](CC[NH2+]CCC(C)(C)C)N(C)C ZINC000697870462 964595512 /nfs/dbraw/zinc/59/55/12/964595512.db2.gz LOBOEMVOVBBKPZ-LLVKDONJSA-N 1 3 200.370 2.352 20 0 BEADHO CCC(CC)C[NH2+]CC[C@H](C)N(C)C ZINC000697869339 964595743 /nfs/dbraw/zinc/59/57/43/964595743.db2.gz FHQPQDLNYMCFNC-NSHDSACASA-N 1 3 200.370 2.352 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2C=CCC2)CC1 ZINC000698207867 965105504 /nfs/dbraw/zinc/10/55/04/965105504.db2.gz YDUXKRGJOPFMNX-GFCCVEGCSA-N 1 3 208.349 2.169 20 0 BEADHO Cc1cc(CN2CCC[C@@H]([NH3+])CC2)c(C)cc1O ZINC001205110302 965836116 /nfs/dbraw/zinc/83/61/16/965836116.db2.gz RECAWZPLLLURDK-CQSZACIVSA-N 1 3 248.370 2.322 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235158251 966011737 /nfs/dbraw/zinc/01/17/37/966011737.db2.gz OOUPVUZVKNBAIF-DZGCQCFKSA-N 1 3 241.338 2.091 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001235158251 966011750 /nfs/dbraw/zinc/01/17/50/966011750.db2.gz OOUPVUZVKNBAIF-DZGCQCFKSA-N 1 3 241.338 2.091 20 0 BEADHO CC/C=C\CCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958529 966181428 /nfs/dbraw/zinc/18/14/28/966181428.db2.gz HFRGQSADDLXXPF-MAUVLDTNSA-N 1 3 222.376 2.402 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235986390 966199283 /nfs/dbraw/zinc/19/92/83/966199283.db2.gz DSBYZFMHPASKLN-LSDHHAIUSA-N 1 3 230.355 2.172 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235986390 966199300 /nfs/dbraw/zinc/19/93/00/966199300.db2.gz DSBYZFMHPASKLN-LSDHHAIUSA-N 1 3 230.355 2.172 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000084215616 966954617 /nfs/dbraw/zinc/95/46/17/966954617.db2.gz AFTYHSVOQRRKDL-YPMHNXCESA-N 1 3 238.400 2.398 20 0 BEADHO CCc1cccc(C)c1C[N@@H+]1CCCNCC1 ZINC001204684073 967129609 /nfs/dbraw/zinc/12/96/09/967129609.db2.gz FVODMIIFQBYWJI-UHFFFAOYSA-N 1 3 232.371 2.353 20 0 BEADHO CCc1cccc(C)c1C[N@H+]1CCCNCC1 ZINC001204684073 967129612 /nfs/dbraw/zinc/12/96/12/967129612.db2.gz FVODMIIFQBYWJI-UHFFFAOYSA-N 1 3 232.371 2.353 20 0 BEADHO COCc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205116624 967363792 /nfs/dbraw/zinc/36/37/92/967363792.db2.gz FBHACXZNJLKTLY-OAHLLOKOSA-N 1 3 248.370 2.146 20 0 BEADHO C[C@H]1CCNCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001205340612 967556096 /nfs/dbraw/zinc/55/60/96/967556096.db2.gz XKGVCHODMOKBQV-ZDUSSCGKSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@H]1CCNCC[N@H+]1Cc1cccc2c1CCC2 ZINC001205340612 967556102 /nfs/dbraw/zinc/55/61/02/967556102.db2.gz XKGVCHODMOKBQV-ZDUSSCGKSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCO[C@H]1C)N1CCCCC1 ZINC001205391627 967609443 /nfs/dbraw/zinc/60/94/43/967609443.db2.gz QQSACBFYNBHVBA-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CCN[C@H]1CCO[C@H]1C)[NH+]1CCCCC1 ZINC001205391627 967609452 /nfs/dbraw/zinc/60/94/52/967609452.db2.gz QQSACBFYNBHVBA-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000708864162 967681502 /nfs/dbraw/zinc/68/15/02/967681502.db2.gz XGBZLTOOERYNPF-JOYOIKCWSA-N 1 3 224.373 2.083 20 0 BEADHO CC/C=C\CCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863508 967863671 /nfs/dbraw/zinc/86/36/71/967863671.db2.gz ZUPIKXIMGMFAQE-CIUCYMIDSA-N 1 3 210.365 2.402 20 0 BEADHO CC/C=C\CCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863508 967863675 /nfs/dbraw/zinc/86/36/75/967863675.db2.gz ZUPIKXIMGMFAQE-CIUCYMIDSA-N 1 3 210.365 2.402 20 0 BEADHO C[C@@]1(CN2CCCC3(CC3)C2)CCC[NH2+]C1 ZINC000695132509 967972254 /nfs/dbraw/zinc/97/22/54/967972254.db2.gz UGCLXRHFHQAYQX-CYBMUJFWSA-N 1 3 222.376 2.252 20 0 BEADHO C[NH+]1CCC(CCN2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001207481505 968793099 /nfs/dbraw/zinc/79/30/99/968793099.db2.gz JMFFQUXYMSTKJH-IHRRRGAJSA-N 1 3 240.366 2.008 20 0 BEADHO CN(C)CC1(C[NH+]2CCSCC2)CCCC1 ZINC001208185199 969119314 /nfs/dbraw/zinc/11/93/14/969119314.db2.gz WNNKWQKPDJJGNK-UHFFFAOYSA-N 1 3 242.432 2.157 20 0 BEADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1(C)CCCCC1 ZINC001253384081 969146832 /nfs/dbraw/zinc/14/68/32/969146832.db2.gz OCYKDWZSVZVQRA-GFCCVEGCSA-N 1 3 242.407 2.048 20 0 BEADHO CC[NH+]1CCC(CN2CCC[C@H](F)C2)CC1 ZINC001208597432 969150100 /nfs/dbraw/zinc/15/01/00/969150100.db2.gz HKBLOCYQFLJSHJ-ZDUSSCGKSA-N 1 3 228.355 2.152 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(CCC2CC2)CC1 ZINC001208686546 969195261 /nfs/dbraw/zinc/19/52/61/969195261.db2.gz MYKAGQGBBPUSOG-UHFFFAOYSA-N 1 3 245.370 2.312 20 0 BEADHO CN1CC=C(Nc2ccccc2C[NH+](C)C)CC1 ZINC001208910334 969296264 /nfs/dbraw/zinc/29/62/64/969296264.db2.gz NTUHIUYNDVUDFP-UHFFFAOYSA-N 1 3 245.370 2.380 20 0 BEADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1ccco1)C2 ZINC001169096147 969387702 /nfs/dbraw/zinc/38/77/02/969387702.db2.gz UVOLIJQRSSMGBW-CLLJXQQHSA-N 1 3 234.343 2.037 20 0 BEADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1ccco1)C2 ZINC001169096147 969387705 /nfs/dbraw/zinc/38/77/05/969387705.db2.gz UVOLIJQRSSMGBW-CLLJXQQHSA-N 1 3 234.343 2.037 20 0 BEADHO C[C@@H](N)c1ccn(-c2ccccc2C(C)(C)[NH3+])n1 ZINC001169234019 969513646 /nfs/dbraw/zinc/51/36/46/969513646.db2.gz DHBMAJVFYRCOQE-SNVBAGLBSA-N 1 3 244.342 2.086 20 0 BEADHO NC1CC([NH2+]C2CCc3ccccc3CC2)C1 ZINC001254454618 969645163 /nfs/dbraw/zinc/64/51/63/969645163.db2.gz DQGOCNYQJAXOJO-UHFFFAOYSA-N 1 3 230.355 2.013 20 0 BEADHO CC(C)[N@H+](CCCN)C1Cc2ccccc2C1 ZINC001255012058 969844732 /nfs/dbraw/zinc/84/47/32/969844732.db2.gz KEEFHZGGYSBTCY-UHFFFAOYSA-N 1 3 232.371 2.213 20 0 BEADHO CC(C)[N@@H+](CCCN)C1Cc2ccccc2C1 ZINC001255012058 969844735 /nfs/dbraw/zinc/84/47/35/969844735.db2.gz KEEFHZGGYSBTCY-UHFFFAOYSA-N 1 3 232.371 2.213 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCN[C@@H](C)CC1 ZINC001210476638 969901576 /nfs/dbraw/zinc/90/15/76/969901576.db2.gz WLVHUKFEHXARLY-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCN[C@@H](C)CC1 ZINC001210476638 969901578 /nfs/dbraw/zinc/90/15/78/969901578.db2.gz WLVHUKFEHXARLY-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134626 970404814 /nfs/dbraw/zinc/40/48/14/970404814.db2.gz CUMNUOVRIVWWJU-MQYQWHSLSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134626 970404819 /nfs/dbraw/zinc/40/48/19/970404819.db2.gz CUMNUOVRIVWWJU-MQYQWHSLSA-N 1 3 222.376 2.059 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C)C3)C[C@H]2C1 ZINC001170159242 970488962 /nfs/dbraw/zinc/48/89/62/970488962.db2.gz RTQGBAPBCMRDDT-GBJTYRQASA-N 1 3 236.403 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001170159241 970490630 /nfs/dbraw/zinc/49/06/30/970490630.db2.gz RTQGBAPBCMRDDT-BYNSBNAKSA-N 1 3 236.403 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001170159241 970490638 /nfs/dbraw/zinc/49/06/38/970490638.db2.gz RTQGBAPBCMRDDT-BYNSBNAKSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H](C[NH3+])CN(C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255864635 970526585 /nfs/dbraw/zinc/52/65/85/970526585.db2.gz JEIANTKMEYWNCZ-RYUDHWBXSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@H](CN)C[N@H+](C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255864635 970526599 /nfs/dbraw/zinc/52/65/99/970526599.db2.gz JEIANTKMEYWNCZ-RYUDHWBXSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255864635 970526613 /nfs/dbraw/zinc/52/66/13/970526613.db2.gz JEIANTKMEYWNCZ-RYUDHWBXSA-N 1 3 238.350 2.283 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H](F)C1 ZINC001255942258 970564849 /nfs/dbraw/zinc/56/48/49/970564849.db2.gz DWCNAPJHOLCWNE-UTUOFQBUSA-N 1 3 216.344 2.197 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1CCO[C@@H](CC)C1 ZINC001170172494 970564685 /nfs/dbraw/zinc/56/46/85/970564685.db2.gz ZQBJNKWRRPRBPD-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1CCO[C@@H](CC)C1 ZINC001170172494 970564697 /nfs/dbraw/zinc/56/46/97/970564697.db2.gz ZQBJNKWRRPRBPD-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@@H](F)C1 ZINC001255942258 970564839 /nfs/dbraw/zinc/56/48/39/970564839.db2.gz DWCNAPJHOLCWNE-UTUOFQBUSA-N 1 3 216.344 2.197 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC001255941227 970571771 /nfs/dbraw/zinc/57/17/71/970571771.db2.gz LTZJUFCOZNCNAV-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCOC(C)C ZINC001255941320 970571748 /nfs/dbraw/zinc/57/17/48/970571748.db2.gz OGUBPVIUIJFFPA-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO C[C@H]1CN(C2CC[NH+](C)CC2)CCC1(F)F ZINC001256202727 970703525 /nfs/dbraw/zinc/70/35/25/970703525.db2.gz LHRVUXGEPNYNKA-JTQLQIEISA-N 1 3 232.318 2.058 20 0 BEADHO [NH3+][C@H]1CCCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001246543003 972586210 /nfs/dbraw/zinc/58/62/10/972586210.db2.gz QWZBYFANCUUZIX-STQMWFEESA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@H](Cc1cccnc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246578847 972909102 /nfs/dbraw/zinc/90/91/02/972909102.db2.gz AABVNKHNDCWUBV-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1cccnc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246578847 972909114 /nfs/dbraw/zinc/90/91/14/972909114.db2.gz AABVNKHNDCWUBV-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H](Cc1cccnc1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246578847 972909124 /nfs/dbraw/zinc/90/91/24/972909124.db2.gz AABVNKHNDCWUBV-ZFWWWQNUSA-N 1 3 247.386 2.073 20 0 BEADHO C1[C@@H]2C[C@@H]([N@@H+]3CCC[C@@]34CCCNC4)C[C@H]12 ZINC001246605945 973028101 /nfs/dbraw/zinc/02/81/01/973028101.db2.gz CZAMZKQOJJLUEE-XJFOESAGSA-N 1 3 220.360 2.003 20 0 BEADHO C1[C@@H]2C[C@@H]([N@H+]3CCC[C@@]34CCCNC4)C[C@H]12 ZINC001246605945 973028116 /nfs/dbraw/zinc/02/81/16/973028116.db2.gz CZAMZKQOJJLUEE-XJFOESAGSA-N 1 3 220.360 2.003 20 0 BEADHO CCCC[C@H](CC(C)C)[NH+]1CC2(CNC2)C1 ZINC001246615329 973034331 /nfs/dbraw/zinc/03/43/31/973034331.db2.gz SDKPYTVPDQFSCP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO COCC[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246781007 973090252 /nfs/dbraw/zinc/09/02/52/973090252.db2.gz DBLNNVGKJGDULP-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246781007 973090267 /nfs/dbraw/zinc/09/02/67/973090267.db2.gz DBLNNVGKJGDULP-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CC[C@@H](NCC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898763 973393420 /nfs/dbraw/zinc/39/34/20/973393420.db2.gz DNVDWKWNOJBLHI-NXEZZACHSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@@H]1CC[C@H](NCC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898769 973393480 /nfs/dbraw/zinc/39/34/80/973393480.db2.gz DNVDWKWNOJBLHI-ZJUUUORDSA-N 1 3 232.318 2.152 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1CCc2c(F)cccc2C1 ZINC001171418453 974032216 /nfs/dbraw/zinc/03/22/16/974032216.db2.gz KOESYJGXJQYCFT-BYCMXARLSA-N 1 3 248.345 2.152 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2Cc3cccc(F)c3C2)C1 ZINC001171773395 974156722 /nfs/dbraw/zinc/15/67/22/974156722.db2.gz KMKDATUIJBEPIS-XQQFMLRXSA-N 1 3 248.345 2.152 20 0 BEADHO C[C@@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098429 974335765 /nfs/dbraw/zinc/33/57/65/974335765.db2.gz DWPHZWXIDWHONC-NDBYEHHHSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H](N)c1nccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098429 974335775 /nfs/dbraw/zinc/33/57/75/974335775.db2.gz DWPHZWXIDWHONC-NDBYEHHHSA-N 1 3 248.374 2.091 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)oc1C ZINC001206164073 974629279 /nfs/dbraw/zinc/62/92/79/974629279.db2.gz JEWVGTOMJNUZKN-CHWSQXEVSA-N 1 3 240.322 2.158 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)oc1C ZINC001206164073 974629282 /nfs/dbraw/zinc/62/92/82/974629282.db2.gz JEWVGTOMJNUZKN-CHWSQXEVSA-N 1 3 240.322 2.158 20 0 BEADHO CCOCC[C@@H](C)[NH2+]CCCN(CC)CC ZINC001172406987 974662661 /nfs/dbraw/zinc/66/26/61/974662661.db2.gz RNEFPNHBCNKWDA-CYBMUJFWSA-N 1 3 230.396 2.123 20 0 BEADHO CCOCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001172414677 974681867 /nfs/dbraw/zinc/68/18/67/974681867.db2.gz GWOITIFXJWGAKA-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CCOCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001172414673 974682292 /nfs/dbraw/zinc/68/22/92/974682292.db2.gz GWOITIFXJWGAKA-IHRRRGAJSA-N 1 3 242.407 2.264 20 0 BEADHO [NH3+][C@@H]1C[C@H]1N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172540542 974875024 /nfs/dbraw/zinc/87/50/24/974875024.db2.gz OLGHKPYFRNKGNL-KBUPBQIOSA-N 1 3 230.355 2.402 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001204089638 974878015 /nfs/dbraw/zinc/87/80/15/974878015.db2.gz PUGZMSHURQBHBW-XQLPTFJDSA-N 1 3 234.387 2.273 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCO1 ZINC001173170133 975062388 /nfs/dbraw/zinc/06/23/88/975062388.db2.gz JWTVQZNMMYOURA-IGQOVBAYSA-N 1 3 240.391 2.016 20 0 BEADHO CCCC[C@H](CC(C)C)[N@@H+]1CCO[C@@H](CN)C1 ZINC001173251036 975089691 /nfs/dbraw/zinc/08/96/91/975089691.db2.gz YDRWUODHYCFCPD-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CCCC[C@H](CC(C)C)[N@H+]1CCO[C@@H](CN)C1 ZINC001173251036 975089698 /nfs/dbraw/zinc/08/96/98/975089698.db2.gz YDRWUODHYCFCPD-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CCc1ccc(C[C@H](C)NC2CC([NH3+])C2)cc1 ZINC001173237817 975161539 /nfs/dbraw/zinc/16/15/39/975161539.db2.gz FGICKVIRYVILAR-QGLTVNCISA-N 1 3 232.371 2.259 20 0 BEADHO CCc1ccc(C[C@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001173237817 975161542 /nfs/dbraw/zinc/16/15/42/975161542.db2.gz FGICKVIRYVILAR-QGLTVNCISA-N 1 3 232.371 2.259 20 0 BEADHO CCSC[C@H](C)NCCC[NH+](CC)CC ZINC001173284697 975242050 /nfs/dbraw/zinc/24/20/50/975242050.db2.gz HVIRZTCTVFKCFP-LBPRGKRZSA-N 1 3 232.437 2.450 20 0 BEADHO CCSC[C@H](C)[NH2+]CCCN(CC)CC ZINC001173284697 975242055 /nfs/dbraw/zinc/24/20/55/975242055.db2.gz HVIRZTCTVFKCFP-LBPRGKRZSA-N 1 3 232.437 2.450 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001333529760 975834907 /nfs/dbraw/zinc/83/49/07/975834907.db2.gz QWICAXAWCMFCLG-DAXOMENPSA-N 1 3 248.414 2.497 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001333529760 975834915 /nfs/dbraw/zinc/83/49/15/975834915.db2.gz QWICAXAWCMFCLG-DAXOMENPSA-N 1 3 248.414 2.497 20 0 BEADHO C[C@H](C[NH+](C)C)Oc1ccccc1CN(C)C ZINC001229699416 976949531 /nfs/dbraw/zinc/94/95/31/976949531.db2.gz NJZVIHMYHHKJDS-GFCCVEGCSA-N 1 3 236.359 2.077 20 0 BEADHO CN1CCC=C(Nc2cccc(C[NH+](C)C)c2)C1 ZINC001175576791 977585434 /nfs/dbraw/zinc/58/54/34/977585434.db2.gz TYFJYQHWXDGUHY-UHFFFAOYSA-N 1 3 245.370 2.380 20 0 BEADHO CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC001336269196 977606631 /nfs/dbraw/zinc/60/66/31/977606631.db2.gz ARZFNGLXIWYOLV-VGPLMAKISA-N 1 3 220.360 2.286 20 0 BEADHO CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC001336269196 977606634 /nfs/dbraw/zinc/60/66/34/977606634.db2.gz ARZFNGLXIWYOLV-VGPLMAKISA-N 1 3 220.360 2.286 20 0 BEADHO c1c[nH]c(Nc2cc[nH+]c(N3CCCC3)c2)n1 ZINC001176082199 977880283 /nfs/dbraw/zinc/88/02/83/977880283.db2.gz ZCUAFBKBVKJOJZ-UHFFFAOYSA-N 1 3 229.287 2.149 20 0 BEADHO Cc1cc(C)nc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000721838717 978052387 /nfs/dbraw/zinc/05/23/87/978052387.db2.gz STPZQWDJVDQFNI-NEPJUHHUSA-N 1 3 219.332 2.380 20 0 BEADHO CCc1cccc(C)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979399 978942493 /nfs/dbraw/zinc/94/24/93/978942493.db2.gz FGCDPWQDIYYIPP-GASCZTMLSA-N 1 3 244.382 2.209 20 0 BEADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235211077 978996366 /nfs/dbraw/zinc/99/63/66/978996366.db2.gz UGLNMQLGIGRNLH-IGQOVBAYSA-N 1 3 222.376 2.258 20 0 BEADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235211077 978996371 /nfs/dbraw/zinc/99/63/71/978996371.db2.gz UGLNMQLGIGRNLH-IGQOVBAYSA-N 1 3 222.376 2.258 20 0 BEADHO CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235211078 978996798 /nfs/dbraw/zinc/99/67/98/978996798.db2.gz UGLNMQLGIGRNLH-MQYQWHSLSA-N 1 3 222.376 2.258 20 0 BEADHO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235211078 978996801 /nfs/dbraw/zinc/99/68/01/978996801.db2.gz UGLNMQLGIGRNLH-MQYQWHSLSA-N 1 3 222.376 2.258 20 0 BEADHO Cc1cnc(-c2cccc3c2CC[NH2+]C3)cc1N ZINC001236339762 979540315 /nfs/dbraw/zinc/54/03/15/979540315.db2.gz JIPGWCLNNRRMIW-UHFFFAOYSA-N 1 3 239.322 2.285 20 0 BEADHO COc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205265168 979821635 /nfs/dbraw/zinc/82/16/35/979821635.db2.gz OAGLBVPCJSDTEP-HNNXBMFYSA-N 1 3 248.370 2.399 20 0 BEADHO Cc1c[nH]c(CN2CCC[C@](C)([NH3+])CC2)c1C ZINC001205273674 979837910 /nfs/dbraw/zinc/83/79/10/979837910.db2.gz OGIZQSACSGNWLG-AWEZNQCLSA-N 1 3 235.375 2.335 20 0 BEADHO Cc1cccc(CCN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205296211 980061289 /nfs/dbraw/zinc/06/12/89/980061289.db2.gz JANOXSIQWCHLAU-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@H+]2CC[C@H](C)[C@H](CN)C2)c1 ZINC001205296211 980061302 /nfs/dbraw/zinc/06/13/02/980061302.db2.gz JANOXSIQWCHLAU-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1cccc(CC[N@@H+]2CC[C@H](C)[C@H](CN)C2)c1 ZINC001205296211 980061315 /nfs/dbraw/zinc/06/13/15/980061315.db2.gz JANOXSIQWCHLAU-GOEBONIOSA-N 1 3 246.398 2.454 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC001184419311 980082332 /nfs/dbraw/zinc/08/23/32/980082332.db2.gz ZLTPHWPRJQRJFK-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO C[NH+](C)Cc1ccccc1-c1ccc(CN)nc1 ZINC001239684196 980840773 /nfs/dbraw/zinc/84/07/73/980840773.db2.gz LUKLXGLIMKEHTH-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO Cc1cccc(CN2CCC(C[NH3+])CC2)c1F ZINC000084946731 980842669 /nfs/dbraw/zinc/84/26/69/980842669.db2.gz XREULXNFUMXORT-UHFFFAOYSA-N 1 3 236.334 2.305 20 0 BEADHO C[C@H](CNc1ccncc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001347773104 981169742 /nfs/dbraw/zinc/16/97/42/981169742.db2.gz UBXIWHSLLFJHHY-CHWSQXEVSA-N 1 3 233.359 2.036 20 0 BEADHO C[C@H](CNc1ccncc1)[N@H+]1CCC[C@@H](C)C1 ZINC001347773104 981169745 /nfs/dbraw/zinc/16/97/45/981169745.db2.gz UBXIWHSLLFJHHY-CHWSQXEVSA-N 1 3 233.359 2.036 20 0 BEADHO C(=C1CC[NH2+]CC1)c1nccc2[nH]ccc21 ZINC001240873199 981913913 /nfs/dbraw/zinc/91/39/13/981913913.db2.gz VIZCIMQRRCGWGV-UHFFFAOYSA-N 1 3 213.284 2.330 20 0 BEADHO C(c1cncc2cc[nH]c21)=C1CC[NH2+]CC1 ZINC001240877603 981930346 /nfs/dbraw/zinc/93/03/46/981930346.db2.gz DGZNXYVFROKUIG-UHFFFAOYSA-N 1 3 213.284 2.330 20 0 BEADHO CN1CC=C(c2ccccc2C[NH+](C)C)CC1 ZINC001241318074 982477063 /nfs/dbraw/zinc/47/70/63/982477063.db2.gz WWDGBIWJZGBVJP-UHFFFAOYSA-N 1 3 230.355 2.467 20 0 BEADHO Fc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000037408211 982941068 /nfs/dbraw/zinc/94/10/68/982941068.db2.gz INAOTRDGMAUPPL-CYBMUJFWSA-N 1 3 248.345 2.400 20 0 BEADHO C[C@H]1NCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCC2 ZINC001354222015 983202392 /nfs/dbraw/zinc/20/23/92/983202392.db2.gz WLXKRTVGBLSDPK-MLGOLLRUSA-N 1 3 244.382 2.405 20 0 BEADHO CCCN1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@H]2C1 ZINC001201516845 983314314 /nfs/dbraw/zinc/31/43/14/983314314.db2.gz DMKPZFXLMQXTJJ-BFHYXJOUSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@H+]1C[C@H]2CN(CCCSC)C[C@H]2C1 ZINC001201697877 983413576 /nfs/dbraw/zinc/41/35/76/983413576.db2.gz RYEJOWLTQPRQJM-BETUJISGSA-N 1 3 242.432 2.013 20 0 BEADHO CCC[N@@H+]1C[C@H]2CN(CCCSC)C[C@H]2C1 ZINC001201697877 983413582 /nfs/dbraw/zinc/41/35/82/983413582.db2.gz RYEJOWLTQPRQJM-BETUJISGSA-N 1 3 242.432 2.013 20 0 BEADHO CCCCC[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001201743954 983450562 /nfs/dbraw/zinc/45/05/62/983450562.db2.gz AZLAMSKOZHQDJD-OKILXGFUSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[C@@H](O)CNCCC[N@@H+]1CCCC[C@H]1C ZINC001252799432 983894989 /nfs/dbraw/zinc/89/49/89/983894989.db2.gz RUVOTADGHHSVMH-ZIAGYGMSSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@@H](O)CNCCC[N@H+]1CCCC[C@H]1C ZINC001252799432 983894992 /nfs/dbraw/zinc/89/49/92/983894992.db2.gz RUVOTADGHHSVMH-ZIAGYGMSSA-N 1 3 242.407 2.002 20 0 BEADHO CCC[C@@H](O)C[NH2+]CCCN1CCCC[C@H]1C ZINC001252799432 983894995 /nfs/dbraw/zinc/89/49/95/983894995.db2.gz RUVOTADGHHSVMH-ZIAGYGMSSA-N 1 3 242.407 2.002 20 0 BEADHO C[C@@H]1CNC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC001576849014 984184122 /nfs/dbraw/zinc/18/41/22/984184122.db2.gz AARZDIBUAXYBMX-WCQYABFASA-N 1 3 243.354 2.256 20 0 BEADHO CCC[C@H](C[N@H+](CCC)C1CCNCC1)OC ZINC001577357751 984192669 /nfs/dbraw/zinc/19/26/69/984192669.db2.gz IWXZAPRTDCWLEA-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@H](C[N@@H+](CCC)C1CCNCC1)OC ZINC001577357751 984192672 /nfs/dbraw/zinc/19/26/72/984192672.db2.gz IWXZAPRTDCWLEA-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO NCC1(C[NH2+]CC[C@@H]2CCC(F)(F)C2)CC1 ZINC001580244108 984471692 /nfs/dbraw/zinc/47/16/92/984471692.db2.gz POTGPGOAWNYREW-JTQLQIEISA-N 1 3 232.318 2.140 20 0 BEADHO CN1CCCC[C@H]1c1ccc(C2=CC[NH2+]C2)nc1 ZINC001243108274 984555830 /nfs/dbraw/zinc/55/58/30/984555830.db2.gz NYLJPWKBALKAOS-HNNXBMFYSA-N 1 3 243.354 2.225 20 0 BEADHO CN1CCC[C@]2(CCC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104155 984817561 /nfs/dbraw/zinc/81/75/61/984817561.db2.gz ZLPMXNOKAVTGIV-HNNXBMFYSA-N 1 3 247.386 2.323 20 0 BEADHO CN1CCC[C@]2(CCC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC001276104155 984817564 /nfs/dbraw/zinc/81/75/64/984817564.db2.gz ZLPMXNOKAVTGIV-HNNXBMFYSA-N 1 3 247.386 2.323 20 0 BEADHO CNc1ccc(C)cc1CN[C@H](C)C[C@H](C)[NH3+] ZINC001578757610 985328441 /nfs/dbraw/zinc/32/84/41/985328441.db2.gz UUDQPNOPIMLVDT-NWDGAFQWSA-N 1 3 235.375 2.252 20 0 BEADHO CO[C@](C)(CN1CCCCC[C@H]([NH3+])C1)C1CC1 ZINC001578897015 985475450 /nfs/dbraw/zinc/47/54/50/985475450.db2.gz HVOXVDSLPDWEOV-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@H](CC[NH2+]C1CCC(F)(F)CC1)N(C)C ZINC000688319899 985609328 /nfs/dbraw/zinc/60/93/28/985609328.db2.gz WZFDKONTUYQHAZ-SNVBAGLBSA-N 1 3 234.334 2.494 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCc3ccccc3C2)C[C@H]1[NH3+] ZINC001579439960 985927480 /nfs/dbraw/zinc/92/74/80/985927480.db2.gz FTVLUYALSINRQS-DVOMOZLQSA-N 1 3 244.382 2.071 20 0 BEADHO NC[C@H]1CCCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606778 985937705 /nfs/dbraw/zinc/93/77/05/985937705.db2.gz SKGZWBPAJLSXAK-GBJTYRQASA-N 1 3 234.387 2.259 20 0 BEADHO NC[C@H]1CCCC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606778 985937712 /nfs/dbraw/zinc/93/77/12/985937712.db2.gz SKGZWBPAJLSXAK-GBJTYRQASA-N 1 3 234.387 2.259 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CC3CC3)C[C@H]2C1 ZINC001258471339 985939451 /nfs/dbraw/zinc/93/94/51/985939451.db2.gz ZERXJVPKXWGKGA-NWANDNLSSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](Cc1cccnc1)[NH2+]CCCN1CCCC1 ZINC001258609930 985986515 /nfs/dbraw/zinc/98/65/15/985986515.db2.gz YLSFRPSFVXWWTB-CQSZACIVSA-N 1 3 247.386 2.088 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCC=CO1 ZINC001462672612 986503192 /nfs/dbraw/zinc/50/31/92/986503192.db2.gz KPWLWWQZVCXEDQ-KGLIPLIRSA-N 1 3 240.391 2.389 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC001462672612 986503210 /nfs/dbraw/zinc/50/32/10/986503210.db2.gz KPWLWWQZVCXEDQ-KGLIPLIRSA-N 1 3 240.391 2.389 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCC=CO1 ZINC001462672603 986506983 /nfs/dbraw/zinc/50/69/83/986506983.db2.gz KPWLWWQZVCXEDQ-KBPBESRZSA-N 1 3 240.391 2.389 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC001462672603 986506997 /nfs/dbraw/zinc/50/69/97/986506997.db2.gz KPWLWWQZVCXEDQ-KBPBESRZSA-N 1 3 240.391 2.389 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](CCCO)C(C)C ZINC001255964433 987103123 /nfs/dbraw/zinc/10/31/23/987103123.db2.gz SIGWSCAXHAVEAE-CQSZACIVSA-N 1 3 244.423 2.200 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](CCCO)C(C)C ZINC001255964433 987103136 /nfs/dbraw/zinc/10/31/36/987103136.db2.gz SIGWSCAXHAVEAE-CQSZACIVSA-N 1 3 244.423 2.200 20 0 BEADHO CC(C)([NH3+])c1ccc(-c2ccc(CN)nc2)cc1 ZINC001245911981 987139978 /nfs/dbraw/zinc/13/99/78/987139978.db2.gz GCWADMRQOCEURL-UHFFFAOYSA-N 1 3 241.338 2.401 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]12C[C@H]1CCCC2 ZINC000693563219 987312931 /nfs/dbraw/zinc/31/29/31/987312931.db2.gz AUABHAFMHXPEGN-CRWXNKLISA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693752039 987314531 /nfs/dbraw/zinc/31/45/31/987314531.db2.gz JZPACIXYLGYUFR-GRYCIOLGSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)CC2 ZINC001246076548 987367669 /nfs/dbraw/zinc/36/76/69/987367669.db2.gz DBGGIXZOWNKDPE-MRXNPFEDSA-N 1 3 244.382 2.194 20 0 BEADHO Fc1cccc2c1CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246076655 987368298 /nfs/dbraw/zinc/36/82/98/987368298.db2.gz DMWLEXNCEPNMRK-CYBMUJFWSA-N 1 3 248.345 2.025 20 0 BEADHO CC1(CN[C@@H]2CCCC[NH2+]C2)CCCC1 ZINC001246083081 987381316 /nfs/dbraw/zinc/38/13/16/987381316.db2.gz SRGUKOAJPITULJ-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CC[C@H]1CC[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087705 987389101 /nfs/dbraw/zinc/38/91/01/987389101.db2.gz ZWXHGLQAHREZNT-RVMXOQNASA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CNC[C@@H]1C ZINC001246105672 987432141 /nfs/dbraw/zinc/43/21/41/987432141.db2.gz BZPHTLXVGIGPLH-RVMXOQNASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](Cc1ccco1)[NH2+]C[C@H]1CC[C@@H](C)CN1 ZINC001246106235 987439560 /nfs/dbraw/zinc/43/95/60/987439560.db2.gz OQLPKGABNBPREF-FRRDWIJNSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H]1CNC[C@@H]1[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246108741 987442876 /nfs/dbraw/zinc/44/28/76/987442876.db2.gz MRTLBRBZQWCLME-CYDGBPFRSA-N 1 3 224.392 2.399 20 0 BEADHO CCCCC[C@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246128098 987477825 /nfs/dbraw/zinc/47/78/25/987477825.db2.gz DQVPHPJEXAMCEF-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CNCC23CC3)C[C@@H]1C ZINC001246135232 987488437 /nfs/dbraw/zinc/48/84/37/987488437.db2.gz SYORIVJODBGVPE-VOAKCMCISA-N 1 3 222.376 2.153 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147886 987503357 /nfs/dbraw/zinc/50/33/57/987503357.db2.gz LBHJASKSCWHGJJ-BJJPWKGXSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C1CCC([NH2+][C@H]2[C@@H]3C[C@H]2CNC3)CC1 ZINC001246145867 987503646 /nfs/dbraw/zinc/50/36/46/987503646.db2.gz FSFNMQOAUJFHCP-AFRBZQCXSA-N 1 3 236.403 2.399 20 0 BEADHO CC[C@@H]1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC001246181655 987555496 /nfs/dbraw/zinc/55/54/96/987555496.db2.gz WUXLKDWZZARFLX-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC001246181651 987556472 /nfs/dbraw/zinc/55/64/72/987556472.db2.gz WUXLKDWZZARFLX-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CCCC(C)(C)O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227324 987623778 /nfs/dbraw/zinc/62/37/78/987623778.db2.gz BYUJAQJQGBADAR-FRRDWIJNSA-N 1 3 242.407 2.046 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232774 987628972 /nfs/dbraw/zinc/62/89/72/987628972.db2.gz ZRSXQOGTKRSLIJ-HPCHECBXSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@H](C)NC1)c1ccc(N)cc1 ZINC001246298121 987694605 /nfs/dbraw/zinc/69/46/05/987694605.db2.gz TUHWTVFAMJHBHK-WDMOLILDSA-N 1 3 233.359 2.060 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CSc2ccccc2C1 ZINC001246314923 987718734 /nfs/dbraw/zinc/71/87/34/987718734.db2.gz RHCCJNJWNLQCFL-NWDGAFQWSA-N 1 3 236.384 2.030 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC2)CCN1 ZINC001246332554 987740125 /nfs/dbraw/zinc/74/01/25/987740125.db2.gz NHYSUHWANAFJHT-DZGCQCFKSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@H]1C[C@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246332554 987740130 /nfs/dbraw/zinc/74/01/30/987740130.db2.gz NHYSUHWANAFJHT-DZGCQCFKSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246352578 987759423 /nfs/dbraw/zinc/75/94/23/987759423.db2.gz SDHGHTPTGOMFCD-WFASDCNBSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246354103 987760184 /nfs/dbraw/zinc/76/01/84/987760184.db2.gz UKVPLUPGNJZPNX-MBNYWOFBSA-N 1 3 248.370 2.053 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246363597 987770734 /nfs/dbraw/zinc/77/07/34/987770734.db2.gz KVBFWHLEHRSJIX-RCBQFDQVSA-N 1 3 244.382 2.274 20 0 BEADHO CCCC1([NH2+][C@@H]2CCN[C@H](C)C2)CCC1 ZINC001246390656 987778848 /nfs/dbraw/zinc/77/88/48/987778848.db2.gz YJWHDOPHOYMPIW-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO CCCC1(N[C@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246387009 987780092 /nfs/dbraw/zinc/78/00/92/987780092.db2.gz QVTMWKCQFDXRBT-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246445427 987801604 /nfs/dbraw/zinc/80/16/04/987801604.db2.gz OCMBLVKOBNMREV-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246445427 987801607 /nfs/dbraw/zinc/80/16/07/987801607.db2.gz OCMBLVKOBNMREV-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CN1 ZINC001246443145 987801728 /nfs/dbraw/zinc/80/17/28/987801728.db2.gz LTWSPMIYQPPNNI-SNIKSBKOSA-N 1 3 236.403 2.397 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246445429 987802625 /nfs/dbraw/zinc/80/26/25/987802625.db2.gz OCMBLVKOBNMREV-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246445429 987802628 /nfs/dbraw/zinc/80/26/28/987802628.db2.gz OCMBLVKOBNMREV-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC[C@@H](CCC)[NH2+][C@@H]1CC12CNC2 ZINC001246444279 987802735 /nfs/dbraw/zinc/80/27/35/987802735.db2.gz JUZZDLDQXSYVRS-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC23CNC3)C1 ZINC001246445123 987803343 /nfs/dbraw/zinc/80/33/43/987803343.db2.gz MMLNMXZDVUMQPS-OPRDCNLKSA-N 1 3 248.292 2.059 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2CC23C[NH2+]C3)C1 ZINC001246445123 987803346 /nfs/dbraw/zinc/80/33/46/987803346.db2.gz MMLNMXZDVUMQPS-OPRDCNLKSA-N 1 3 248.292 2.059 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC001246462409 987822795 /nfs/dbraw/zinc/82/27/95/987822795.db2.gz RIPNTSIDBGPMJM-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C)CC(CN[C@@H]2CCCC[NH2+]C2)C1 ZINC001246496173 987849984 /nfs/dbraw/zinc/84/99/84/987849984.db2.gz DCFWNGXHPQANRI-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO CCc1ccc(C[C@H](C)[NH2+]C23CC(N)(C2)C3)cc1 ZINC001246500203 987857456 /nfs/dbraw/zinc/85/74/56/987857456.db2.gz GQLZOWYXVDKQNJ-JQRITLKVSA-N 1 3 244.382 2.403 20 0 BEADHO CCC[N@H+]([C@H](C)CC)[C@@H](C)CCNC ZINC001246526793 987877951 /nfs/dbraw/zinc/87/79/51/987877951.db2.gz CRIXAFALJCJEMQ-NEPJUHHUSA-N 1 3 200.370 2.495 20 0 BEADHO CCC[N@@H+]([C@H](C)CC)[C@@H](C)CCNC ZINC001246526793 987877956 /nfs/dbraw/zinc/87/79/56/987877956.db2.gz CRIXAFALJCJEMQ-NEPJUHHUSA-N 1 3 200.370 2.495 20 0 BEADHO CCCCCC[C@H](C)N1CCO[C@@H](CC[NH3+])C1 ZINC001246536657 987893947 /nfs/dbraw/zinc/89/39/47/987893947.db2.gz VULAOWJBJXVVDT-KBPBESRZSA-N 1 3 242.407 2.395 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC001246539262 987901927 /nfs/dbraw/zinc/90/19/27/987901927.db2.gz GPBUZHPAQFDDKA-JHJVBQTASA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC001246539262 987901934 /nfs/dbraw/zinc/90/19/34/987901934.db2.gz GPBUZHPAQFDDKA-JHJVBQTASA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@@H]1CC[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246557583 987977616 /nfs/dbraw/zinc/97/76/16/987977616.db2.gz MIZWOROXXRCCCN-GRYCIOLGSA-N 1 3 246.345 2.481 20 0 BEADHO CCCC[C@H](C)N1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246561636 987995386 /nfs/dbraw/zinc/99/53/86/987995386.db2.gz RLWGXQJROKCINW-QWRGUYRKSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@@H]1C[C@H](N2CC[C@H](C)C(F)(F)CC2)CC[NH2+]1 ZINC001246563958 988011549 /nfs/dbraw/zinc/01/15/49/988011549.db2.gz DMGBCWRJVBQELN-QJPTWQEYSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)C(F)(F)CC2)CCN1 ZINC001246563958 988011560 /nfs/dbraw/zinc/01/15/60/988011560.db2.gz DMGBCWRJVBQELN-QJPTWQEYSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)C(F)(F)CC2)CCN1 ZINC001246563958 988011578 /nfs/dbraw/zinc/01/15/78/988011578.db2.gz DMGBCWRJVBQELN-QJPTWQEYSA-N 1 3 246.345 2.494 20 0 BEADHO CNCC[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001246572963 988066523 /nfs/dbraw/zinc/06/65/23/988066523.db2.gz LNHDZFKQQNZENQ-AGIUHOORSA-N 1 3 212.381 2.352 20 0 BEADHO CNCC[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001246572963 988066539 /nfs/dbraw/zinc/06/65/39/988066539.db2.gz LNHDZFKQQNZENQ-AGIUHOORSA-N 1 3 212.381 2.352 20 0 BEADHO CCCc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC001118196297 988087699 /nfs/dbraw/zinc/08/76/99/988087699.db2.gz AWIJTVKAABTWFF-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CSCC[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246580933 988111136 /nfs/dbraw/zinc/11/11/36/988111136.db2.gz JCAFOVJBKGDBBC-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CSCC[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246580933 988111143 /nfs/dbraw/zinc/11/11/43/988111143.db2.gz JCAFOVJBKGDBBC-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCC[C@H](CN)C3)C[C@@H]21 ZINC001246584952 988136755 /nfs/dbraw/zinc/13/67/55/988136755.db2.gz XBBWFQLWPIYKRX-YIYPIFLZSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@H](CN)C3)C[C@@H]21 ZINC001246584952 988136769 /nfs/dbraw/zinc/13/67/69/988136769.db2.gz XBBWFQLWPIYKRX-YIYPIFLZSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](CC(F)(F)F)N1CCC(F)(C[NH3+])CC1 ZINC001246625924 988277769 /nfs/dbraw/zinc/27/77/69/988277769.db2.gz IOACIGVGLRJXJX-MRVPVSSYSA-N 1 3 242.260 2.090 20 0 BEADHO CC1(C)CCC(N2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246632975 988320606 /nfs/dbraw/zinc/32/06/06/988320606.db2.gz IYGNCBYAKHJNOZ-QWHCGFSZSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246637707 988324425 /nfs/dbraw/zinc/32/44/25/988324425.db2.gz ISDJJFXQPGHPOI-CDGCEXEKSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC([N@H+]2CC[C@H]3NCC[C@H]32)C[C@@H](C)C1 ZINC001246637707 988324439 /nfs/dbraw/zinc/32/44/39/988324439.db2.gz ISDJJFXQPGHPOI-CDGCEXEKSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H]1CC([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@H](C)C1 ZINC001246637709 988327217 /nfs/dbraw/zinc/32/72/17/988327217.db2.gz ISDJJFXQPGHPOI-HBJVGIJOSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@H]1CC([N@H+]2CC[C@H]3NCC[C@H]32)C[C@H](C)C1 ZINC001246637709 988327237 /nfs/dbraw/zinc/32/72/37/988327237.db2.gz ISDJJFXQPGHPOI-HBJVGIJOSA-N 1 3 222.376 2.247 20 0 BEADHO CC1(C)CCC[C@@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636373 988331121 /nfs/dbraw/zinc/33/11/21/988331121.db2.gz GLOOVYGWHCNHOJ-JHJVBQTASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CCC[C@@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636373 988331139 /nfs/dbraw/zinc/33/11/39/988331139.db2.gz GLOOVYGWHCNHOJ-JHJVBQTASA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]1CCC[C@@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636226 988332585 /nfs/dbraw/zinc/33/25/85/988332585.db2.gz FQPZPGIEUVFHPP-UMSGYPCISA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1CCC[C@@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636226 988332603 /nfs/dbraw/zinc/33/26/03/988332603.db2.gz FQPZPGIEUVFHPP-UMSGYPCISA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246642100 988351767 /nfs/dbraw/zinc/35/17/67/988351767.db2.gz ZEYVORMFGNMNBC-MBJXGIAVSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@@H]1C ZINC001246642100 988351775 /nfs/dbraw/zinc/35/17/75/988351775.db2.gz ZEYVORMFGNMNBC-MBJXGIAVSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C[C@@H]1C ZINC001246642100 988351787 /nfs/dbraw/zinc/35/17/87/988351787.db2.gz ZEYVORMFGNMNBC-MBJXGIAVSA-N 1 3 222.376 2.247 20 0 BEADHO CC1(C)CCC(N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246644593 988353900 /nfs/dbraw/zinc/35/39/00/988353900.db2.gz IIJGHTBYKFXEIO-WCQYABFASA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654514 988381393 /nfs/dbraw/zinc/38/13/93/988381393.db2.gz ICSDDTWLEVWPPT-KKOKHZNYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654514 988381406 /nfs/dbraw/zinc/38/14/06/988381406.db2.gz ICSDDTWLEVWPPT-KKOKHZNYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656402 988383159 /nfs/dbraw/zinc/38/31/59/988383159.db2.gz NOJKRZHMJRVRJY-QCNOEVLYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656402 988383174 /nfs/dbraw/zinc/38/31/74/988383174.db2.gz NOJKRZHMJRVRJY-QCNOEVLYSA-N 1 3 244.329 2.104 20 0 BEADHO CCCCCC[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665873 988403450 /nfs/dbraw/zinc/40/34/50/988403450.db2.gz UWBIDIIGXDPMIA-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO CCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665873 988403457 /nfs/dbraw/zinc/40/34/57/988403457.db2.gz UWBIDIIGXDPMIA-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO CCCCCC[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665871 988405317 /nfs/dbraw/zinc/40/53/17/988405317.db2.gz UWBIDIIGXDPMIA-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO CCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246665871 988405323 /nfs/dbraw/zinc/40/53/23/988405323.db2.gz UWBIDIIGXDPMIA-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246669875 988412865 /nfs/dbraw/zinc/41/28/65/988412865.db2.gz CFOHPPNMUVQRHY-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2CNCC[C@H]21 ZINC001246669875 988412870 /nfs/dbraw/zinc/41/28/70/988412870.db2.gz CFOHPPNMUVQRHY-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246667246 988412927 /nfs/dbraw/zinc/41/29/27/988412927.db2.gz YRHLZTICZOHNDD-BTTYYORXSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246667246 988412932 /nfs/dbraw/zinc/41/29/32/988412932.db2.gz YRHLZTICZOHNDD-BTTYYORXSA-N 1 3 224.392 2.336 20 0 BEADHO CC[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246843276 988546401 /nfs/dbraw/zinc/54/64/01/988546401.db2.gz FMAHAOQRSOBZIB-AGIUHOORSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246843276 988546409 /nfs/dbraw/zinc/54/64/09/988546409.db2.gz FMAHAOQRSOBZIB-AGIUHOORSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246846180 988554207 /nfs/dbraw/zinc/55/42/07/988554207.db2.gz NDDBSKYPKCPMMD-UTUOFQBUSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC2(C)C)CCN1 ZINC001246846180 988554220 /nfs/dbraw/zinc/55/42/20/988554220.db2.gz NDDBSKYPKCPMMD-UTUOFQBUSA-N 1 3 210.365 2.105 20 0 BEADHO CCCC(CCC)[N@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246846426 988558404 /nfs/dbraw/zinc/55/84/04/988558404.db2.gz NPDAZVZRNKDCEM-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC(CCC)[N@@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246846426 988558412 /nfs/dbraw/zinc/55/84/12/988558412.db2.gz NPDAZVZRNKDCEM-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[N@H+](C1CCOCC1)[C@H]1CCN[C@@H](C)C1 ZINC001246900259 988676758 /nfs/dbraw/zinc/67/67/58/988676758.db2.gz UOTJSRDMYYEVPC-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C1CCOCC1)[C@H]1CCN[C@@H](C)C1 ZINC001246900259 988676766 /nfs/dbraw/zinc/67/67/66/988676766.db2.gz UOTJSRDMYYEVPC-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO FC1(F)C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[NH2+]C1 ZINC001118896599 988677251 /nfs/dbraw/zinc/67/72/51/988677251.db2.gz DFVAUGKIHXIQTA-UTUOFQBUSA-N 1 3 244.329 2.248 20 0 BEADHO NC[C@H]1CCC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001246917723 988721411 /nfs/dbraw/zinc/72/14/11/988721411.db2.gz SLWBUNUJRMGGJC-OLZOCXBDSA-N 1 3 248.395 2.127 20 0 BEADHO NC[C@H]1CCC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001246917723 988721429 /nfs/dbraw/zinc/72/14/29/988721429.db2.gz SLWBUNUJRMGGJC-OLZOCXBDSA-N 1 3 248.395 2.127 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941462 988776878 /nfs/dbraw/zinc/77/68/78/988776878.db2.gz LADGKAAKUXQXKK-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941462 988776881 /nfs/dbraw/zinc/77/68/81/988776881.db2.gz LADGKAAKUXQXKK-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CCCCC[C@@H](C)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246947138 988780717 /nfs/dbraw/zinc/78/07/17/988780717.db2.gz IXEKUNBXOAJZGW-NDBYEHHHSA-N 1 3 210.365 2.105 20 0 BEADHO CC(C)[N@H+](C1CCOCC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246985032 988813721 /nfs/dbraw/zinc/81/37/21/988813721.db2.gz ORVSEZFBDKAZBN-GXTWGEPZSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[N@@H+](C1CCOCC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246985032 988813724 /nfs/dbraw/zinc/81/37/24/988813724.db2.gz ORVSEZFBDKAZBN-GXTWGEPZSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH2+][C@H](C)CCN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001325744818 989247521 /nfs/dbraw/zinc/24/75/21/989247521.db2.gz VLUVJVCFFQDBJZ-FRRDWIJNSA-N 1 3 242.407 2.166 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1(C)CC1 ZINC001326459537 989569132 /nfs/dbraw/zinc/56/91/32/989569132.db2.gz RGPXPIUZLMRXRD-JTQLQIEISA-N 1 3 219.332 2.052 20 0 BEADHO CC1(C)CCC[N@H+](CCNc2ccncc2)C1 ZINC001120779930 989878052 /nfs/dbraw/zinc/87/80/52/989878052.db2.gz RZRHOQGKWNUHCC-UHFFFAOYSA-N 1 3 233.359 2.037 20 0 BEADHO CC1(C)CCC[N@@H+](CCNc2ccncc2)C1 ZINC001120779930 989878054 /nfs/dbraw/zinc/87/80/54/989878054.db2.gz RZRHOQGKWNUHCC-UHFFFAOYSA-N 1 3 233.359 2.037 20 0 BEADHO CN1CCCC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC001120884892 989946331 /nfs/dbraw/zinc/94/63/31/989946331.db2.gz RZIMCDOIFMUIJW-CYBMUJFWSA-N 1 3 245.370 2.277 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308554267 991036419 /nfs/dbraw/zinc/03/64/19/991036419.db2.gz NPJMDGMEQZUKHS-BFHYXJOUSA-N 1 3 224.392 2.352 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308554270 991036737 /nfs/dbraw/zinc/03/67/37/991036737.db2.gz NPJMDGMEQZUKHS-MGPQQGTHSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H](Cc1ccco1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001258176203 991074774 /nfs/dbraw/zinc/07/47/74/991074774.db2.gz MRJOUFIMPYYTRA-YIYPIFLZSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@H](Cc1ccco1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258176203 991074781 /nfs/dbraw/zinc/07/47/81/991074781.db2.gz MRJOUFIMPYYTRA-YIYPIFLZSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@H](Cc1ccco1)[NH2+]C(C)(C)C(C)(C)N ZINC001258181032 991082943 /nfs/dbraw/zinc/08/29/43/991082943.db2.gz HPZLZGUOYZZILU-SNVBAGLBSA-N 1 3 224.348 2.316 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)C1CCCC1 ZINC001308983263 991246314 /nfs/dbraw/zinc/24/63/14/991246314.db2.gz BVPJGNMQJYRLQU-PMOUVXMZSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)C1CCCC1 ZINC001308983262 991251383 /nfs/dbraw/zinc/25/13/83/991251383.db2.gz BVPJGNMQJYRLQU-CYUUQNCZSA-N 1 3 236.403 2.495 20 0 BEADHO COc1ccc(CC[C@H](C)NC2(C[NH3+])CC2)cc1 ZINC001258396972 991344915 /nfs/dbraw/zinc/34/49/15/991344915.db2.gz UCZGXLFPPQPTEO-LBPRGKRZSA-N 1 3 248.370 2.097 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)Cc1cccnc1 ZINC001258613670 991542261 /nfs/dbraw/zinc/54/22/61/991542261.db2.gz VWDUMXITXPBLRA-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)Cc1cccnc1 ZINC001258613670 991542269 /nfs/dbraw/zinc/54/22/69/991542269.db2.gz VWDUMXITXPBLRA-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCCN(CCC[NH3+])[C@H](C)Cc1cccnc1 ZINC001258613670 991542279 /nfs/dbraw/zinc/54/22/79/991542279.db2.gz VWDUMXITXPBLRA-CYBMUJFWSA-N 1 3 235.375 2.073 20 0 BEADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1cccnc1 ZINC001258632242 991577663 /nfs/dbraw/zinc/57/76/63/991577663.db2.gz WZBRXNCNBNDSCF-CQSZACIVSA-N 1 3 249.402 2.286 20 0 BEADHO CCCN1CCC([N@@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001258771670 991741005 /nfs/dbraw/zinc/74/10/05/991741005.db2.gz NTPBAFOUGGXIBY-VXGBXAGGSA-N 1 3 228.355 2.293 20 0 BEADHO CCCN1CCC([N@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001258771670 991741008 /nfs/dbraw/zinc/74/10/08/991741008.db2.gz NTPBAFOUGGXIBY-VXGBXAGGSA-N 1 3 228.355 2.293 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]C1CC(N)C1 ZINC001258840554 991871154 /nfs/dbraw/zinc/87/11/54/991871154.db2.gz WAYPXCFROKJCCB-MOKVOYLWSA-N 1 3 218.344 2.087 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC1CC([NH3+])C1 ZINC001258840554 991871157 /nfs/dbraw/zinc/87/11/57/991871157.db2.gz WAYPXCFROKJCCB-MOKVOYLWSA-N 1 3 218.344 2.087 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)n1ccc(CN)n1 ZINC001258898699 991893773 /nfs/dbraw/zinc/89/37/73/991893773.db2.gz PGLAQYUHGPILRO-LBPRGKRZSA-N 1 3 238.379 2.025 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)N1C=C(N)C=CC1 ZINC001258902230 991896190 /nfs/dbraw/zinc/89/61/90/991896190.db2.gz BBLSFPFGIAKEJU-CYBMUJFWSA-N 1 3 237.391 2.169 20 0 BEADHO C[NH2+][C@H](C)CCN[C@H](C)CSC(C)(C)C ZINC001261423964 992297525 /nfs/dbraw/zinc/29/75/25/992297525.db2.gz JWQXYUOJQMHRRU-GHMZBOCLSA-N 1 3 232.437 2.494 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2cc(C)ccc21 ZINC001261423937 992292766 /nfs/dbraw/zinc/29/27/66/992292766.db2.gz JBEAKDVOAZDMPV-WFASDCNBSA-N 1 3 232.371 2.427 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CC3)[C@H]2C1 ZINC001474756471 992511319 /nfs/dbraw/zinc/51/13/19/992511319.db2.gz GSWPMXFINWBMHY-ZQNQSHIBSA-N 1 3 234.387 2.105 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001474757407 992527159 /nfs/dbraw/zinc/52/71/59/992527159.db2.gz VSLRNXZGWWHELY-NNZPWHBESA-N 1 3 236.403 2.351 20 0 BEADHO [NH3+]C1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC001574271018 992836763 /nfs/dbraw/zinc/83/67/63/992836763.db2.gz WTAYFLBGPOKORW-HIFRSBDPSA-N 1 3 230.355 2.213 20 0 BEADHO CC(C)(C[NH3+])NCCSCc1ccccc1 ZINC001575318242 993011352 /nfs/dbraw/zinc/01/13/52/993011352.db2.gz POTPLOSRTRURMW-UHFFFAOYSA-N 1 3 238.400 2.247 20 0 BEADHO CC(C)(CNC[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC001575334162 993015293 /nfs/dbraw/zinc/01/52/93/993015293.db2.gz DSXOAXNJGSHHGA-SECBINFHSA-N 1 3 238.297 2.164 20 0 BEADHO CC(C)OC1(C[NH2+][C@@H]2C[C@@H](N)C2(C)C)CCC1 ZINC001575748632 993103721 /nfs/dbraw/zinc/10/37/21/993103721.db2.gz BZNRJZILKCYSFC-VXGBXAGGSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665199 993198705 /nfs/dbraw/zinc/19/87/05/993198705.db2.gz FQECACHFXDOELQ-JHJVBQTASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665199 993198708 /nfs/dbraw/zinc/19/87/08/993198708.db2.gz FQECACHFXDOELQ-JHJVBQTASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C1CCCC1)C1CNC1 ZINC001576245328 993231069 /nfs/dbraw/zinc/23/10/69/993231069.db2.gz OPDKJEARWLAXRG-VHRBIJSZSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](N)C1)[C@H]1CC2CCC1CC2 ZINC001576250370 993233088 /nfs/dbraw/zinc/23/30/88/993233088.db2.gz FKSGFBLSOYHODS-SLRWIUGFSA-N 1 3 222.376 2.281 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](N)C1)[C@H]1CC2CCC1CC2 ZINC001576250369 993233388 /nfs/dbraw/zinc/23/33/88/993233388.db2.gz FKSGFBLSOYHODS-LBYYJAQLSA-N 1 3 222.376 2.281 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@@H](N)C1)[C@@H]1C[C@H]1c1cccs1 ZINC001576251368 993234654 /nfs/dbraw/zinc/23/46/54/993234654.db2.gz LPTMWEDKVLULBH-HHHUOAJASA-N 1 3 236.384 2.319 20 0 BEADHO C[C@H](N[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[C@H]1c1cccs1 ZINC001576251368 993234664 /nfs/dbraw/zinc/23/46/64/993234664.db2.gz LPTMWEDKVLULBH-HHHUOAJASA-N 1 3 236.384 2.319 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C/C=C\C1CC1 ZINC000379287575 993238908 /nfs/dbraw/zinc/23/89/08/993238908.db2.gz HTJDQOZOPFIPOP-RSNNXLNZSA-N 1 3 208.349 2.060 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C\C1CC1 ZINC000379287575 993238917 /nfs/dbraw/zinc/23/89/17/993238917.db2.gz HTJDQOZOPFIPOP-RSNNXLNZSA-N 1 3 208.349 2.060 20 0 BEADHO C[C@H]1NCC[C@@H]1[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001576589033 993358149 /nfs/dbraw/zinc/35/81/49/993358149.db2.gz JYBWYRSPHTXCHH-KQXIARHKSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CNCC2(C)C)C1 ZINC001576678717 993391651 /nfs/dbraw/zinc/39/16/51/993391651.db2.gz OJXYCZHRLQUHSU-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO CCC(CC)(CN)C[NH2+]CCCC(F)F ZINC001577052561 993489189 /nfs/dbraw/zinc/48/91/89/993489189.db2.gz XAGFTPFJTZUZFX-UHFFFAOYSA-N 1 3 222.323 2.386 20 0 BEADHO C1[C@@H]([NH2+]C2CCNCC2)C12CCCCC2 ZINC000386871347 993695568 /nfs/dbraw/zinc/69/55/68/993695568.db2.gz HAIPRCDOQVWCRS-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CC(C)(C)CC[N@@H+]1CCCC[C@H](CN)C1 ZINC000389740153 993764555 /nfs/dbraw/zinc/76/45/55/993764555.db2.gz VPCWOGZOTXRWRF-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CC[N@H+]1CCCC[C@H](CN)C1 ZINC000389740153 993764563 /nfs/dbraw/zinc/76/45/63/993764563.db2.gz VPCWOGZOTXRWRF-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001621569798 1170854095 /nfs/dbraw/zinc/85/40/95/1170854095.db2.gz FBDVZMFMTKOXJO-FQUUOJAGSA-N 1 3 236.403 2.495 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)[C@@H]1CCCO1 ZINC001621573888 1170860408 /nfs/dbraw/zinc/86/04/08/1170860408.db2.gz VVDWTFRHROQINK-MJBXVCDLSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC001621573888 1170860417 /nfs/dbraw/zinc/86/04/17/1170860417.db2.gz VVDWTFRHROQINK-MJBXVCDLSA-N 1 3 242.407 2.264 20 0 BEADHO CCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051890183 1171927202 /nfs/dbraw/zinc/92/72/02/1171927202.db2.gz BDJGQYPABHNXMU-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051890181 1171927892 /nfs/dbraw/zinc/92/78/92/1171927892.db2.gz BDJGQYPABHNXMU-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC1(c2ccccc2)CC1 ZINC000422939352 398158738 /nfs/dbraw/zinc/15/87/38/398158738.db2.gz RDBGWMVSLCCYRC-RYUDHWBXSA-N 1 3 218.344 2.391 20 0 BEADHO CCOCCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCC1 ZINC000422942830 398159186 /nfs/dbraw/zinc/15/91/86/398159186.db2.gz QGJMBVDQQYPFRB-STQMWFEESA-N 1 3 242.407 2.299 20 0 BEADHO Cc1cc(CN2CC[C@@H](C[NH3+])C2)c(C)s1 ZINC000050245566 178001530 /nfs/dbraw/zinc/00/15/30/178001530.db2.gz ZPKZAEYQPVVGID-NSHDSACASA-N 1 3 224.373 2.146 20 0 BEADHO Cc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1F ZINC000291704647 178025097 /nfs/dbraw/zinc/02/50/97/178025097.db2.gz KNAHRHKZZDOKPJ-NSHDSACASA-N 1 3 238.350 2.421 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)C1CNC1 ZINC000423174443 398164632 /nfs/dbraw/zinc/16/46/32/398164632.db2.gz CDKRGHHHZZIYQW-WCFLWFBJSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCN1)C1C(C)(C)C1(C)C ZINC000423233163 398165136 /nfs/dbraw/zinc/16/51/36/398165136.db2.gz JIBRNIHBPCBFJL-GHMZBOCLSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1cc(N2CC(N(C)C)C2)c2ccccc2[nH+]1 ZINC000273380734 178113478 /nfs/dbraw/zinc/11/34/78/178113478.db2.gz YVVACLYRNLCMDN-UHFFFAOYSA-N 1 3 241.338 2.293 20 0 BEADHO CC[C@H](F)CN1CCC(CC[NH+](C)C)CC1 ZINC000440711801 398208418 /nfs/dbraw/zinc/20/84/18/398208418.db2.gz KIDPSDCYQGOANI-ZDUSSCGKSA-N 1 3 230.371 2.398 20 0 BEADHO C[C@H](c1ccncc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386507589 398211097 /nfs/dbraw/zinc/21/10/97/398211097.db2.gz LYQHTXFWGLELIF-YUELXQCFSA-N 1 3 245.370 2.074 20 0 BEADHO CCC(CC)C[N@@H+]1CCC[C@@H](CNC)C1 ZINC000040591997 168350230 /nfs/dbraw/zinc/35/02/30/168350230.db2.gz QQYVXTPZADTXJB-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CCC(CC)C[N@H+]1CCC[C@@H](CNC)C1 ZINC000040591997 168350232 /nfs/dbraw/zinc/35/02/32/168350232.db2.gz QQYVXTPZADTXJB-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CCC(CC)C[NH2+]CC1=CCN(C)CC1 ZINC000336766866 168360286 /nfs/dbraw/zinc/36/02/86/168360286.db2.gz RZEQDBXTOAHZJN-UHFFFAOYSA-N 1 3 210.365 2.274 20 0 BEADHO C[C@@H](NC[C@@H](C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000386090439 398263129 /nfs/dbraw/zinc/26/31/29/398263129.db2.gz IBILQXKYVZLGMM-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccncc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000162043832 349556489 /nfs/dbraw/zinc/55/64/89/349556489.db2.gz AGGWRHBQOHETEJ-UHFFFAOYSA-N 1 3 247.386 2.352 20 0 BEADHO CC(C)CCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000179308181 538955029 /nfs/dbraw/zinc/95/50/29/538955029.db2.gz KXLVTLPPFRZHAV-CYBMUJFWSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)CCN(C)CC[C@H]1CCC[N@H+]1C ZINC000179308181 538955031 /nfs/dbraw/zinc/95/50/31/538955031.db2.gz KXLVTLPPFRZHAV-CYBMUJFWSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624124194 346854924 /nfs/dbraw/zinc/85/49/24/346854924.db2.gz ZSSHLMDDESGQDW-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]([NH2+]CCCN(C)C(C)C)C1CC1 ZINC000166568784 361853010 /nfs/dbraw/zinc/85/30/10/361853010.db2.gz RDXWWSFBUCLKJF-CYBMUJFWSA-N 1 3 212.381 2.495 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000600188745 342698481 /nfs/dbraw/zinc/69/84/81/342698481.db2.gz DQKKRBGBHSPMPB-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000600188745 342698482 /nfs/dbraw/zinc/69/84/82/342698482.db2.gz DQKKRBGBHSPMPB-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600188745 342698484 /nfs/dbraw/zinc/69/84/84/342698484.db2.gz DQKKRBGBHSPMPB-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CCSCC[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000600188868 342698493 /nfs/dbraw/zinc/69/84/93/342698493.db2.gz FDGFFPOAAMPLLW-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@@H]1CCCC[N@H+](C)C1 ZINC000600188868 342698495 /nfs/dbraw/zinc/69/84/95/342698495.db2.gz FDGFFPOAAMPLLW-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600188868 342698497 /nfs/dbraw/zinc/69/84/97/342698497.db2.gz FDGFFPOAAMPLLW-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000037220382 538962033 /nfs/dbraw/zinc/96/20/33/538962033.db2.gz RNEZHQYWTDRPNR-CHWSQXEVSA-N 1 3 247.386 2.463 20 0 BEADHO NC[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934829 342728294 /nfs/dbraw/zinc/72/82/94/342728294.db2.gz XSOPXYLORMYQND-KBMXLJTQSA-N 1 3 244.382 2.461 20 0 BEADHO NC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934829 342728295 /nfs/dbraw/zinc/72/82/95/342728295.db2.gz XSOPXYLORMYQND-KBMXLJTQSA-N 1 3 244.382 2.461 20 0 BEADHO [NH3+]C[C@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000583934829 342728296 /nfs/dbraw/zinc/72/82/96/342728296.db2.gz XSOPXYLORMYQND-KBMXLJTQSA-N 1 3 244.382 2.461 20 0 BEADHO CCC(CC)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077321 168388093 /nfs/dbraw/zinc/38/80/93/168388093.db2.gz BHGMLSNUJZCATK-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000126718272 398285372 /nfs/dbraw/zinc/28/53/72/398285372.db2.gz PQXMVIBZBVQHSA-GXSJLCMTSA-N 1 3 224.373 2.226 20 0 BEADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000192191311 538994146 /nfs/dbraw/zinc/99/41/46/538994146.db2.gz BMYJMQAULLPXID-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000192191311 538994148 /nfs/dbraw/zinc/99/41/48/538994148.db2.gz BMYJMQAULLPXID-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO CC1(C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000308838080 342859576 /nfs/dbraw/zinc/85/95/76/342859576.db2.gz XCGXDKPHWFXHME-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO CCCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000233042522 342894540 /nfs/dbraw/zinc/89/45/40/342894540.db2.gz IUFFVMRGJQZGMO-RYUDHWBXSA-N 1 3 210.365 2.426 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C2CC(C)C2)C1 ZINC000232831953 342886556 /nfs/dbraw/zinc/88/65/56/342886556.db2.gz ZEDGBAYOCCVKCL-OTTFEQOBSA-N 1 3 210.365 2.105 20 0 BEADHO CCO[C@@H]1C[C@@H](NCCC[NH2+]C(C)C)C1(C)C ZINC000233743527 342912386 /nfs/dbraw/zinc/91/23/86/342912386.db2.gz YYXWWJYPWUQFBQ-CHWSQXEVSA-N 1 3 242.407 2.168 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000222994387 259331298 /nfs/dbraw/zinc/33/12/98/259331298.db2.gz LBVQOGFBKHIEDX-UPJWGTAASA-N 1 3 208.349 2.202 20 0 BEADHO CC1(C[NH2+]CCCN2CCCCC2)CC1 ZINC000308820223 259340641 /nfs/dbraw/zinc/34/06/41/259340641.db2.gz QJZCVHGTYPTNTH-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000093209412 343150861 /nfs/dbraw/zinc/15/08/61/343150861.db2.gz AUUPBNPVJDPSPD-UONOGXRCSA-N 1 3 236.334 2.228 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(F)cc2)C1 ZINC000093209412 343150863 /nfs/dbraw/zinc/15/08/63/343150863.db2.gz AUUPBNPVJDPSPD-UONOGXRCSA-N 1 3 236.334 2.228 20 0 BEADHO CCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150758746 136273524 /nfs/dbraw/zinc/27/35/24/136273524.db2.gz MXUAUROJKDKHFC-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO CCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150758746 136273525 /nfs/dbraw/zinc/27/35/25/136273525.db2.gz MXUAUROJKDKHFC-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO CCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150758746 136273526 /nfs/dbraw/zinc/27/35/26/136273526.db2.gz MXUAUROJKDKHFC-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO C[C@@H](Cc1ccsc1)N[C@@H]1CCC[NH2+]CC1 ZINC000168737276 343210518 /nfs/dbraw/zinc/21/05/18/343210518.db2.gz IDHUHLLPSVGBJJ-WCQYABFASA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCNCC1 ZINC000168737276 343210520 /nfs/dbraw/zinc/21/05/20/343210520.db2.gz IDHUHLLPSVGBJJ-WCQYABFASA-N 1 3 238.400 2.411 20 0 BEADHO CNCCC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000087472191 136281578 /nfs/dbraw/zinc/28/15/78/136281578.db2.gz WFJBAPHIRXNMPB-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000087472191 136281579 /nfs/dbraw/zinc/28/15/79/136281579.db2.gz WFJBAPHIRXNMPB-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCC[C@@H](C)C1 ZINC000087472191 136281580 /nfs/dbraw/zinc/28/15/80/136281580.db2.gz WFJBAPHIRXNMPB-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1ccc(CNC2CC[NH+](C)CC2)cc1C ZINC000034996633 343282913 /nfs/dbraw/zinc/28/29/13/343282913.db2.gz FGDIAVPNMXMSBH-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO CCN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](C)OC ZINC000569897534 323043717 /nfs/dbraw/zinc/04/37/17/323043717.db2.gz PASRFZRZWZUBOW-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904071 323043925 /nfs/dbraw/zinc/04/39/25/323043925.db2.gz CVXSMHBKIYJEFW-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CC3(C)CC3)CC[C@@H]21 ZINC000569904071 323043926 /nfs/dbraw/zinc/04/39/26/323043926.db2.gz CVXSMHBKIYJEFW-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CC(C)=CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335725613 136346874 /nfs/dbraw/zinc/34/68/74/136346874.db2.gz JLBMWRILPSOCTP-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO CC(C)=CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335725613 136346875 /nfs/dbraw/zinc/34/68/75/136346875.db2.gz JLBMWRILPSOCTP-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H]1N ZINC000258748561 136373936 /nfs/dbraw/zinc/37/39/36/136373936.db2.gz ACCZTTQNTQRXLG-UWVGGRQHSA-N 1 3 210.346 2.026 20 0 BEADHO CC[C@H]([NH2+]CCCN(CC)CC)C1CC1 ZINC000083054248 343475330 /nfs/dbraw/zinc/47/53/30/343475330.db2.gz RNMYOSFTTLGSCJ-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCC2CCC2)C1 ZINC000398610776 488220814 /nfs/dbraw/zinc/22/08/14/488220814.db2.gz AVOZYRFECOVHSI-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398610776 488220819 /nfs/dbraw/zinc/22/08/19/488220819.db2.gz AVOZYRFECOVHSI-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398610776 488220822 /nfs/dbraw/zinc/22/08/22/488220822.db2.gz AVOZYRFECOVHSI-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CCc1nc(CNCCCC[NH+](C)C)cs1 ZINC000049949222 343606638 /nfs/dbraw/zinc/60/66/38/343606638.db2.gz VDPBWLRMOVUNLW-UHFFFAOYSA-N 1 3 241.404 2.137 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]CCCF)c2ccccc21 ZINC000379919284 343655130 /nfs/dbraw/zinc/65/51/30/343655130.db2.gz QYMIGMWFVPIOFJ-VXGBXAGGSA-N 1 3 208.280 2.080 20 0 BEADHO CC/C=C\CCN1CC[C@H](C[NH+](C)C)C1 ZINC000342251174 343726709 /nfs/dbraw/zinc/72/67/09/343726709.db2.gz RBWKHNLHBQMAJB-CFHLNLSMSA-N 1 3 210.365 2.226 20 0 BEADHO Cc1ccc(CN2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC000044527746 343781547 /nfs/dbraw/zinc/78/15/47/343781547.db2.gz BQWKCBZTLUAYJR-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO N[C@@]12CCC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000621777908 343903511 /nfs/dbraw/zinc/90/35/11/343903511.db2.gz IOPNTWHDPAVJLJ-JKSUJKDBSA-N 1 3 244.382 2.432 20 0 BEADHO N[C@@]12CCC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777908 343903512 /nfs/dbraw/zinc/90/35/12/343903512.db2.gz IOPNTWHDPAVJLJ-JKSUJKDBSA-N 1 3 244.382 2.432 20 0 BEADHO C1C(N[C@@H]2CCSC2)CC1[NH+]1CCCCC1 ZINC000335606481 192068250 /nfs/dbraw/zinc/06/82/50/192068250.db2.gz OJRBAEIGIBJNGG-PNESKVBLSA-N 1 3 240.416 2.098 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000221317486 259371991 /nfs/dbraw/zinc/37/19/91/259371991.db2.gz PNCAQOZWCDDGES-RWMBFGLXSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[C@H](C)C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733417 344113312 /nfs/dbraw/zinc/11/33/12/344113312.db2.gz FFVBXQFBOBYKMV-XQQFMLRXSA-N 1 3 210.365 2.154 20 0 BEADHO COCC(C)(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634734110 344114635 /nfs/dbraw/zinc/11/46/35/344114635.db2.gz XAOCKQIOGVSATE-GFCCVEGCSA-N 1 3 242.407 2.027 20 0 BEADHO CCC[C@H](CNC[C@@H]1CC[N@@H+](C(C)C)C1)OC ZINC000395209467 362348030 /nfs/dbraw/zinc/34/80/30/362348030.db2.gz UYAVHCMSMASGMU-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@H](CNC[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209467 362348033 /nfs/dbraw/zinc/34/80/33/362348033.db2.gz UYAVHCMSMASGMU-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@H](C[NH2+]C[C@@H]1CCN(C(C)C)C1)OC ZINC000395209467 362348041 /nfs/dbraw/zinc/34/80/41/362348041.db2.gz UYAVHCMSMASGMU-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCNCCC[NH2+][C@H]1CCCC12CCC2 ZINC000518359968 344210777 /nfs/dbraw/zinc/21/07/77/344210777.db2.gz IRDSJJJYIIWUEM-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086500067 344218525 /nfs/dbraw/zinc/21/85/25/344218525.db2.gz CHRDHUPQJFZAFH-FRRDWIJNSA-N 1 3 242.432 2.250 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCOc2ccccc2)C1 ZINC000093215832 344312644 /nfs/dbraw/zinc/31/26/44/344312644.db2.gz GDUJXRCULGPZLB-UONOGXRCSA-N 1 3 248.370 2.315 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCCOc2ccccc2)C1 ZINC000093215832 344312645 /nfs/dbraw/zinc/31/26/45/344312645.db2.gz GDUJXRCULGPZLB-UONOGXRCSA-N 1 3 248.370 2.315 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228317831 259375853 /nfs/dbraw/zinc/37/58/53/259375853.db2.gz SEWJFTQOHIWECQ-YNEHKIRRSA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228317831 259375854 /nfs/dbraw/zinc/37/58/54/259375854.db2.gz SEWJFTQOHIWECQ-YNEHKIRRSA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000318969269 259381148 /nfs/dbraw/zinc/38/11/48/259381148.db2.gz GQRHDMWEFGQXHR-LLVKDONJSA-N 1 3 218.344 2.424 20 0 BEADHO CCC(CC)CN1CCC([NH+](C)C)CC1 ZINC000153901437 344997680 /nfs/dbraw/zinc/99/76/80/344997680.db2.gz WWPOHKGZKNQADK-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000390230674 259382862 /nfs/dbraw/zinc/38/28/62/259382862.db2.gz GQEXCQOICCQCFD-ZJUUUORDSA-N 1 3 220.307 2.139 20 0 BEADHO C(C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156479959 345167248 /nfs/dbraw/zinc/16/72/48/345167248.db2.gz DTQSDWXJHTXFLV-CQSZACIVSA-N 1 3 222.376 2.347 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC12CC(C1)C[NH2+]2 ZINC000634993399 345190390 /nfs/dbraw/zinc/19/03/90/345190390.db2.gz SZDBDWLWLYZWFG-NSWUILHUSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC12CC(C1)CN2 ZINC000634993399 345190391 /nfs/dbraw/zinc/19/03/91/345190391.db2.gz SZDBDWLWLYZWFG-NSWUILHUSA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC12CC(C1)CN2 ZINC000634993399 345190393 /nfs/dbraw/zinc/19/03/93/345190393.db2.gz SZDBDWLWLYZWFG-NSWUILHUSA-N 1 3 234.387 2.391 20 0 BEADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000390230671 259383091 /nfs/dbraw/zinc/38/30/91/259383091.db2.gz GQEXCQOICCQCFD-NXEZZACHSA-N 1 3 220.307 2.139 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024326 345224508 /nfs/dbraw/zinc/22/45/08/345224508.db2.gz WLOHBQLNPJQIOG-KGLIPLIRSA-N 1 3 241.338 2.204 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000634997014 345193947 /nfs/dbraw/zinc/19/39/47/345193947.db2.gz BCVLGXNBMHOFKJ-UTUOFQBUSA-N 1 3 208.349 2.179 20 0 BEADHO C[C@H](N[C@@H]1CCCC12CC2)[C@@H]1CCCC[NH2+]1 ZINC000635003287 345205737 /nfs/dbraw/zinc/20/57/37/345205737.db2.gz HTYBMDQOTWSZSA-RWMBFGLXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000635004221 345207952 /nfs/dbraw/zinc/20/79/52/345207952.db2.gz NOLDUJYGHHPLDE-MXYBEHONSA-N 1 3 248.370 2.232 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004840 345208442 /nfs/dbraw/zinc/20/84/42/345208442.db2.gz QCEMGZAFMDUXDS-AVGNSLFASA-N 1 3 222.376 2.426 20 0 BEADHO CC[C@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005508 345209607 /nfs/dbraw/zinc/20/96/07/345209607.db2.gz OEDRTCHQAZVCFF-JSGCOSHPSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H](C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635005509 345209760 /nfs/dbraw/zinc/20/97/60/345209760.db2.gz OEDRTCHQAZVCFF-OCCSQVGLSA-N 1 3 220.360 2.335 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635012448 345214136 /nfs/dbraw/zinc/21/41/36/345214136.db2.gz MLOJOKWEWMBNNH-ZYUZMQFOSA-N 1 3 236.281 2.044 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635012447 345214630 /nfs/dbraw/zinc/21/46/30/345214630.db2.gz MLOJOKWEWMBNNH-SGIHWFKDSA-N 1 3 236.281 2.044 20 0 BEADHO CC(C)[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012633 345214688 /nfs/dbraw/zinc/21/46/88/345214688.db2.gz UUFYOVUJMJSHED-VXGBXAGGSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+]C[C@H]1CCCNC1 ZINC000132023205 345313235 /nfs/dbraw/zinc/31/32/35/345313235.db2.gz RPPVQIPEDIFZJA-OLZOCXBDSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H](CCc1ccco1)NC[C@H]1CCC[NH2+]C1 ZINC000132023205 345313237 /nfs/dbraw/zinc/31/32/37/345313237.db2.gz RPPVQIPEDIFZJA-OLZOCXBDSA-N 1 3 236.359 2.190 20 0 BEADHO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)CN)c(C)c1 ZINC000158520914 345343693 /nfs/dbraw/zinc/34/36/93/345343693.db2.gz JHBFLACMVBSWIS-ZDUSSCGKSA-N 1 3 220.360 2.391 20 0 BEADHO Cc1cc(C)c(C[N@H+](C)[C@@H](C)CN)c(C)c1 ZINC000158520914 345343695 /nfs/dbraw/zinc/34/36/95/345343695.db2.gz JHBFLACMVBSWIS-ZDUSSCGKSA-N 1 3 220.360 2.391 20 0 BEADHO CCC[NH+]1CCC(NCC(C)(C)OCC)CC1 ZINC000159157677 345411598 /nfs/dbraw/zinc/41/15/98/345411598.db2.gz DCQFVTLYDMCQDK-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](N)CC)cc1 ZINC000231188326 345751648 /nfs/dbraw/zinc/75/16/48/345751648.db2.gz HYIOFUWRKSUPLL-AAEUAGOBSA-N 1 3 236.359 2.473 20 0 BEADHO CC1(c2ccccc2)CCN(CCC[NH3+])CC1 ZINC000034483142 345835343 /nfs/dbraw/zinc/83/53/43/345835343.db2.gz WOYYKFDUYXSCQU-UHFFFAOYSA-N 1 3 232.371 2.389 20 0 BEADHO C(C1CC1)[NH+]1CCC(N[C@H]2CC23CC3)CC1 ZINC000569685507 345975353 /nfs/dbraw/zinc/97/53/53/345975353.db2.gz WCJITYWFVFEKDV-ZDUSSCGKSA-N 1 3 220.360 2.003 20 0 BEADHO Cc1cccc(C)c1C[N@@H+](C)C1CCNCC1 ZINC000130884870 179033856 /nfs/dbraw/zinc/03/38/56/179033856.db2.gz QFADSRPPBCZKCV-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C)c1C[N@H+](C)C1CCNCC1 ZINC000130884870 179033857 /nfs/dbraw/zinc/03/38/57/179033857.db2.gz QFADSRPPBCZKCV-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000130891424 179035711 /nfs/dbraw/zinc/03/57/11/179035711.db2.gz CHZDBOHGPLXYHG-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1CN1CCC[C@@H](C[NH3+])C1 ZINC000149341316 179036096 /nfs/dbraw/zinc/03/60/96/179036096.db2.gz PZTPLJBTFBIGEE-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](CN)C1 ZINC000149341316 179036099 /nfs/dbraw/zinc/03/60/99/179036099.db2.gz PZTPLJBTFBIGEE-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](CN)C1 ZINC000149341316 179036102 /nfs/dbraw/zinc/03/61/02/179036102.db2.gz PZTPLJBTFBIGEE-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO CC[NH+](CC)CC[C@@H](CO)NC1CCCCC1 ZINC000641771558 362710459 /nfs/dbraw/zinc/71/04/59/362710459.db2.gz IZHNIMTUPQTUJI-AWEZNQCLSA-N 1 3 242.407 2.002 20 0 BEADHO Cc1cccc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000129221934 179060524 /nfs/dbraw/zinc/06/05/24/179060524.db2.gz OWGAGQGAVPKWGS-HNNXBMFYSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCCNCC2)c1 ZINC000129221934 179060526 /nfs/dbraw/zinc/06/05/26/179060526.db2.gz OWGAGQGAVPKWGS-HNNXBMFYSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000129221685 179060691 /nfs/dbraw/zinc/06/06/91/179060691.db2.gz OWGAGQGAVPKWGS-OAHLLOKOSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCCNCC2)c1 ZINC000129221685 179060694 /nfs/dbraw/zinc/06/06/94/179060694.db2.gz OWGAGQGAVPKWGS-OAHLLOKOSA-N 1 3 232.371 2.269 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000300361732 346432249 /nfs/dbraw/zinc/43/22/49/346432249.db2.gz HHWRWHNIUYVHAH-VGMNWLOBSA-N 1 3 224.270 2.187 20 0 BEADHO Cc1cccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163425110 179080054 /nfs/dbraw/zinc/08/00/54/179080054.db2.gz PZQZIZURPBSUOU-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228204708 179082133 /nfs/dbraw/zinc/08/21/33/179082133.db2.gz BPSLYPCHBVNWEJ-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N)C2)c1C ZINC000235368600 179081442 /nfs/dbraw/zinc/08/14/42/179081442.db2.gz PQMXPQAQYXAQCW-RISCZKNCSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)c1C ZINC000235368600 179081444 /nfs/dbraw/zinc/08/14/44/179081444.db2.gz PQMXPQAQYXAQCW-RISCZKNCSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1cccc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1C ZINC000094338765 179081898 /nfs/dbraw/zinc/08/18/98/179081898.db2.gz NAHHXYBJRFSNQO-DOMZBBRYSA-N 1 3 232.371 2.473 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@@H](C)C1CC1 ZINC000170794148 346451620 /nfs/dbraw/zinc/45/16/20/346451620.db2.gz SGKIQEQOQVEZRI-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000170794148 346451623 /nfs/dbraw/zinc/45/16/23/346451623.db2.gz SGKIQEQOQVEZRI-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN(C)[C@@H](C)C1CC1 ZINC000170794148 346451625 /nfs/dbraw/zinc/45/16/25/346451625.db2.gz SGKIQEQOQVEZRI-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO Cc1cccc(CNC2CC[NH+](C)CC2)c1 ZINC000020133892 179090486 /nfs/dbraw/zinc/09/04/86/179090486.db2.gz FBLDNJMXNBXXPJ-UHFFFAOYSA-N 1 3 218.344 2.179 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000574981064 346488155 /nfs/dbraw/zinc/48/81/55/346488155.db2.gz WOFODTDJNBOYJT-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO CC[NH2+]CCCN[C@@H]1CC[C@@H]1C1CCC1 ZINC000574981064 346488157 /nfs/dbraw/zinc/48/81/57/346488157.db2.gz WOFODTDJNBOYJT-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cnccc1C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1CN ZINC000641806383 362764696 /nfs/dbraw/zinc/76/46/96/362764696.db2.gz RIPAHFCEZSMLRI-LNSITVRQSA-N 1 3 247.386 2.338 20 0 BEADHO Cc1cnccc1C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1CN ZINC000641806383 362764701 /nfs/dbraw/zinc/76/47/01/362764701.db2.gz RIPAHFCEZSMLRI-LNSITVRQSA-N 1 3 247.386 2.338 20 0 BEADHO CC[NH+]1CCC(NCCOC2CCCC2)CC1 ZINC000104431079 346539250 /nfs/dbraw/zinc/53/92/50/346539250.db2.gz OKXPUFXRNUKXHQ-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO COc1cc(C)cc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000577124168 365828521 /nfs/dbraw/zinc/82/85/21/365828521.db2.gz IUUAMHIAKPQZGR-KBPBESRZSA-N 1 3 248.370 2.363 20 0 BEADHO COC[C@@H](C)CNCCC[NH+](C(C)C)C(C)C ZINC000188094954 346752389 /nfs/dbraw/zinc/75/23/89/346752389.db2.gz MXSHSEIONCXLIU-AWEZNQCLSA-N 1 3 244.423 2.367 20 0 BEADHO Cc1cccc(OCCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000129195937 179167463 /nfs/dbraw/zinc/16/74/63/179167463.db2.gz JHXIEHXZBFKVRI-CQSZACIVSA-N 1 3 248.370 2.106 20 0 BEADHO CN1CCCC[C@H]1CC[N@H+]1CC=CCC1 ZINC000679323817 488333482 /nfs/dbraw/zinc/33/34/82/488333482.db2.gz LWLGGUUAECEBGR-ZDUSSCGKSA-N 1 3 208.349 2.123 20 0 BEADHO CN1CCCC[C@H]1CC[N@@H+]1CC=CCC1 ZINC000679323817 488333486 /nfs/dbraw/zinc/33/34/86/488333486.db2.gz LWLGGUUAECEBGR-ZDUSSCGKSA-N 1 3 208.349 2.123 20 0 BEADHO C[N@@H+]1CC[C@H](NC2CC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000353589576 187372824 /nfs/dbraw/zinc/37/28/24/187372824.db2.gz QPASCCIQXJCPGO-GRYCIOLGSA-N 1 3 244.329 2.247 20 0 BEADHO C[N@H+]1CC[C@H](NC2CC(F)(F)C2)[C@H]2CCC[C@H]21 ZINC000353589576 187372826 /nfs/dbraw/zinc/37/28/26/187372826.db2.gz QPASCCIQXJCPGO-GRYCIOLGSA-N 1 3 244.329 2.247 20 0 BEADHO Cc1ccccc1CCN[C@H]1CCC[NH2+]CC1 ZINC000129309248 179267187 /nfs/dbraw/zinc/26/71/87/179267187.db2.gz QMFSSZPPLOSEOF-HNNXBMFYSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H]1CCCNCC1 ZINC000129309248 179267188 /nfs/dbraw/zinc/26/71/88/179267188.db2.gz QMFSSZPPLOSEOF-HNNXBMFYSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1ccccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000235794612 179276341 /nfs/dbraw/zinc/27/63/41/179276341.db2.gz RFWDTOXZWHSJPY-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccccc1C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000235794612 179276343 /nfs/dbraw/zinc/27/63/43/179276343.db2.gz RFWDTOXZWHSJPY-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccccc1C[N@H+]1CC[C@@](C)(CN)C1 ZINC000235794612 179276345 /nfs/dbraw/zinc/27/63/45/179276345.db2.gz RFWDTOXZWHSJPY-AWEZNQCLSA-N 1 3 218.344 2.166 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049712986 179276896 /nfs/dbraw/zinc/27/68/96/179276896.db2.gz PRFUTTUEDNVVQT-GXTWGEPZSA-N 1 3 218.344 2.307 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228201693 179277197 /nfs/dbraw/zinc/27/71/97/179277197.db2.gz HXBYFTYRGJLPQR-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO CS[C@H]1CC[C@H]1NCCC[N@H+](C)CC(C)C ZINC000593647109 347926373 /nfs/dbraw/zinc/92/63/73/347926373.db2.gz WJJXMMPBUDBPJV-OLZOCXBDSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@H]1CC[C@H]1NCCC[N@@H+](C)CC(C)C ZINC000593647109 347926375 /nfs/dbraw/zinc/92/63/75/347926375.db2.gz WJJXMMPBUDBPJV-OLZOCXBDSA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@H]1CC[C@H]1[NH2+]CCCN(C)CC(C)C ZINC000593647109 347926377 /nfs/dbraw/zinc/92/63/77/347926377.db2.gz WJJXMMPBUDBPJV-OLZOCXBDSA-N 1 3 244.448 2.448 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCSCCN(C)C)C1 ZINC000594889276 348123027 /nfs/dbraw/zinc/12/30/27/348123027.db2.gz AJEBHLHOBDLZQB-BETUJISGSA-N 1 3 244.448 2.259 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](CCSCCN(C)C)C1 ZINC000594889276 348123029 /nfs/dbraw/zinc/12/30/29/348123029.db2.gz AJEBHLHOBDLZQB-BETUJISGSA-N 1 3 244.448 2.259 20 0 BEADHO C[C@@H](CSCCF)[NH2+]CCCN1CCCC1 ZINC000595003072 348169257 /nfs/dbraw/zinc/16/92/57/348169257.db2.gz CRSFKTHLIHTJLV-LBPRGKRZSA-N 1 3 248.411 2.153 20 0 BEADHO C[C@@H](CSCCF)NCCC[NH+]1CCCC1 ZINC000595003072 348169258 /nfs/dbraw/zinc/16/92/58/348169258.db2.gz CRSFKTHLIHTJLV-LBPRGKRZSA-N 1 3 248.411 2.153 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336691812 187393440 /nfs/dbraw/zinc/39/34/40/187393440.db2.gz WYZJPLUFHVWFMT-MCIONIFRSA-N 1 3 224.392 2.352 20 0 BEADHO C[NH2+]C[C@H](C)NC1CCC(CSC)CC1 ZINC000596653756 348607967 /nfs/dbraw/zinc/60/79/67/348607967.db2.gz DTFFGRNPVDFTTJ-UNXYVOJBSA-N 1 3 230.421 2.106 20 0 BEADHO Cc1csc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000344647030 179779141 /nfs/dbraw/zinc/77/91/41/179779141.db2.gz WRUFZZUWJUCIIE-PWSUYJOCSA-N 1 3 224.373 2.274 20 0 BEADHO CCc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000252782512 349204534 /nfs/dbraw/zinc/20/45/34/349204534.db2.gz NJYPBLKGXSXSQP-WDEREUQCSA-N 1 3 238.400 2.480 20 0 BEADHO Cc1nc([C@H](C)NCCCC[NH+](C)C)cs1 ZINC000045663927 180048278 /nfs/dbraw/zinc/04/82/78/180048278.db2.gz CHPRHUNWXQMPDV-JTQLQIEISA-N 1 3 241.404 2.444 20 0 BEADHO CCC1CCC(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000422722751 192442350 /nfs/dbraw/zinc/44/23/50/192442350.db2.gz YWTDHNGHKSCNSJ-PNESKVBLSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000053656073 490374935 /nfs/dbraw/zinc/37/49/35/490374935.db2.gz TXODJEAQRABGOV-CYBMUJFWSA-N 1 3 210.365 2.106 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000306073399 191073887 /nfs/dbraw/zinc/07/38/87/191073887.db2.gz DNFJOCUWIWKGKC-LXFSFDBISA-N 1 3 234.387 2.391 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000223052434 350264358 /nfs/dbraw/zinc/26/43/58/350264358.db2.gz LKMVYXQPYRKHDN-WCQYABFASA-N 1 3 206.333 2.383 20 0 BEADHO CC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041623 350302943 /nfs/dbraw/zinc/30/29/43/350302943.db2.gz BJQOVXMHKXNMNK-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CO[C@@H](C)[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000163250311 350511799 /nfs/dbraw/zinc/51/17/99/350511799.db2.gz IYADKMWGYABFRX-RYUDHWBXSA-N 1 3 242.407 2.262 20 0 BEADHO COc1cccc2c1CCC[C@@H]2NC[C@H](C)C[NH3+] ZINC000577482270 365963340 /nfs/dbraw/zinc/96/33/40/365963340.db2.gz YTSBFUCZKATLBP-RISCZKNCSA-N 1 3 248.370 2.257 20 0 BEADHO C[C@@H]1CCN(CCC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000577481859 365963783 /nfs/dbraw/zinc/96/37/83/365963783.db2.gz GGONNHQUKJXBBT-JHJVBQTASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)O1 ZINC000623545186 362965167 /nfs/dbraw/zinc/96/51/67/362965167.db2.gz AAXAGOUQTLARPD-FRRDWIJNSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545186 362965172 /nfs/dbraw/zinc/96/51/72/362965172.db2.gz AAXAGOUQTLARPD-FRRDWIJNSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000231440473 350624188 /nfs/dbraw/zinc/62/41/88/350624188.db2.gz XMMRKWIARHBJQY-YPMHNXCESA-N 1 3 206.333 2.383 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335619800 538097780 /nfs/dbraw/zinc/09/77/80/538097780.db2.gz NASYOPGEMZCVST-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335619800 538097783 /nfs/dbraw/zinc/09/77/83/538097783.db2.gz NASYOPGEMZCVST-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000123990071 350678632 /nfs/dbraw/zinc/67/86/32/350678632.db2.gz UDCYSSTZDPOBOQ-DTWKUNHWSA-N 1 3 224.270 2.188 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689620 365992583 /nfs/dbraw/zinc/99/25/83/365992583.db2.gz ZQPUSVQSLFJNHX-XJFOESAGSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689620 365992588 /nfs/dbraw/zinc/99/25/88/365992588.db2.gz ZQPUSVQSLFJNHX-XJFOESAGSA-N 1 3 224.392 2.482 20 0 BEADHO C([NH2+]C1CCNCC1)C1CCCCCC1 ZINC000098177366 350729511 /nfs/dbraw/zinc/72/95/11/350729511.db2.gz JDTAUVMQUAUPHT-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000252703302 538099330 /nfs/dbraw/zinc/09/93/30/538099330.db2.gz SDFPXNQBIRETAY-BNOWGMLFSA-N 1 3 222.376 2.249 20 0 BEADHO C[N@@H+]1CC[C@@H](N[C@H]2COC(C)(C)C2)CC1(C)C ZINC000623561960 362986307 /nfs/dbraw/zinc/98/63/07/362986307.db2.gz DAXNVZBBCLDNEG-VXGBXAGGSA-N 1 3 240.391 2.016 20 0 BEADHO C[N@H+]1CC[C@@H](N[C@H]2COC(C)(C)C2)CC1(C)C ZINC000623561960 362986308 /nfs/dbraw/zinc/98/63/08/362986308.db2.gz DAXNVZBBCLDNEG-VXGBXAGGSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000252208250 350910249 /nfs/dbraw/zinc/91/02/49/350910249.db2.gz XNXSLOZZELLKER-JHJVBQTASA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CS[C@H](C)C2)C1 ZINC000252208250 350910252 /nfs/dbraw/zinc/91/02/52/350910252.db2.gz XNXSLOZZELLKER-JHJVBQTASA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CS[C@H](C)C2)C1 ZINC000252208250 350910256 /nfs/dbraw/zinc/91/02/56/350910256.db2.gz XNXSLOZZELLKER-JHJVBQTASA-N 1 3 242.432 2.200 20 0 BEADHO C[C@H]([NH2+]Cc1cccc2c1CCNC2)C1CC1 ZINC000398039487 362989985 /nfs/dbraw/zinc/98/99/85/362989985.db2.gz KLNIHXWGZDOVRD-NSHDSACASA-N 1 3 230.355 2.220 20 0 BEADHO CC(C)COCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422795073 192472015 /nfs/dbraw/zinc/47/20/15/192472015.db2.gz ZPFIJJYQQFAXNM-ZIAGYGMSSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336650895 191133444 /nfs/dbraw/zinc/13/34/44/191133444.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336650895 191133446 /nfs/dbraw/zinc/13/34/46/191133446.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000336650895 191133448 /nfs/dbraw/zinc/13/34/48/191133448.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000336650895 191133449 /nfs/dbraw/zinc/13/34/49/191133449.db2.gz UFIONESPTZCDTM-ZDUSSCGKSA-N 1 3 210.365 2.059 20 0 BEADHO Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1F ZINC000422800194 192472978 /nfs/dbraw/zinc/47/29/78/192472978.db2.gz ZNMKABDWVCFMIT-WDEREUQCSA-N 1 3 224.323 2.350 20 0 BEADHO CN(C)C1CC[NH+](CC2CCSCC2)CC1 ZINC000637927998 351802977 /nfs/dbraw/zinc/80/29/77/351802977.db2.gz RYMLATRXBWNXNG-UHFFFAOYSA-N 1 3 242.432 2.156 20 0 BEADHO C[NH+](C)C1CCN(CC2CCSCC2)CC1 ZINC000637927998 351802980 /nfs/dbraw/zinc/80/29/80/351802980.db2.gz RYMLATRXBWNXNG-UHFFFAOYSA-N 1 3 242.432 2.156 20 0 BEADHO CCCCOCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397338384 351823308 /nfs/dbraw/zinc/82/33/08/351823308.db2.gz ZAYQNTLECAVDDW-MCIONIFRSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)CN1CCCC1 ZINC000638385753 352194757 /nfs/dbraw/zinc/19/47/57/352194757.db2.gz JWCDXUYCVIDJMV-UTUOFQBUSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](CN[C@H](C)[C@@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000638385753 352194761 /nfs/dbraw/zinc/19/47/61/352194761.db2.gz JWCDXUYCVIDJMV-UTUOFQBUSA-N 1 3 246.345 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000638409122 352218624 /nfs/dbraw/zinc/21/86/24/352218624.db2.gz JIAWTVFEPBANFB-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO CC(C)(C)CC[NH2+]C[C@@]1(C)CCCNC1 ZINC000414916686 352270512 /nfs/dbraw/zinc/27/05/12/352270512.db2.gz QCOOLQXKRRZBRX-ZDUSSCGKSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414918231 352273245 /nfs/dbraw/zinc/27/32/45/352273245.db2.gz TWEWCEVDACGCRO-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H]1CCC[C@@H](C)C1 ZINC000414955619 352375158 /nfs/dbraw/zinc/37/51/58/352375158.db2.gz MIMRHDPVBFORFV-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](C[NH+]1CCC(N)CC1)c1ccccc1 ZINC000040240922 352594368 /nfs/dbraw/zinc/59/43/68/352594368.db2.gz SKVZZWBTPAMAJC-LBPRGKRZSA-N 1 3 218.344 2.213 20 0 BEADHO CCOc1ccccc1CN1CCC(C[NH3+])CC1 ZINC000044511890 352653638 /nfs/dbraw/zinc/65/36/38/352653638.db2.gz OLDBYISZCVRLHO-UHFFFAOYSA-N 1 3 248.370 2.256 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)C1(OC)CCC1 ZINC000412025889 191239790 /nfs/dbraw/zinc/23/97/90/191239790.db2.gz QXYQEBLAKZUAFX-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000412025889 191239792 /nfs/dbraw/zinc/23/97/92/191239792.db2.gz QXYQEBLAKZUAFX-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000334179987 352766861 /nfs/dbraw/zinc/76/68/61/352766861.db2.gz BNFNBNADXDOUFX-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000334179987 352766867 /nfs/dbraw/zinc/76/68/67/352766867.db2.gz BNFNBNADXDOUFX-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422816192 192478032 /nfs/dbraw/zinc/47/80/32/192478032.db2.gz ZIENQSPDUCPRSK-HIFRSBDPSA-N 1 3 244.382 2.435 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638862734 353032431 /nfs/dbraw/zinc/03/24/31/353032431.db2.gz HSCWFGOFJVEEPL-WDEREUQCSA-N 1 3 234.334 2.352 20 0 BEADHO CCc1ccc2nccc(NCCCC[NH3+])c2c1 ZINC000420228756 192179421 /nfs/dbraw/zinc/17/94/21/192179421.db2.gz FOUIZAYNFUWYSE-UHFFFAOYSA-N 1 3 243.354 2.370 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000040620886 188137135 /nfs/dbraw/zinc/13/71/35/188137135.db2.gz LSMYJMRLITYEHD-LBPRGKRZSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CN ZINC000336693625 188165583 /nfs/dbraw/zinc/16/55/83/188165583.db2.gz NJKIIFQVBKJLGC-UPJWGTAASA-N 1 3 212.381 2.386 20 0 BEADHO COc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000299125341 188215077 /nfs/dbraw/zinc/21/50/77/188215077.db2.gz MYSFFQKUYLEYAU-UHFFFAOYSA-N 1 3 236.359 2.079 20 0 BEADHO COc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000299125341 188215079 /nfs/dbraw/zinc/21/50/79/188215079.db2.gz MYSFFQKUYLEYAU-UHFFFAOYSA-N 1 3 236.359 2.079 20 0 BEADHO CC(C)N(C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132090222 188221992 /nfs/dbraw/zinc/22/19/92/188221992.db2.gz JUSCZQKTPWFNLG-GJZGRUSLSA-N 1 3 247.386 2.061 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970277 353293391 /nfs/dbraw/zinc/29/33/91/353293391.db2.gz YCWOXAIQSXHGFV-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970277 353293393 /nfs/dbraw/zinc/29/33/93/353293393.db2.gz YCWOXAIQSXHGFV-MQYQWHSLSA-N 1 3 224.392 2.482 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252128734 353297078 /nfs/dbraw/zinc/29/70/78/353297078.db2.gz KLFHTYXLSZCLRG-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000252128734 353297081 /nfs/dbraw/zinc/29/70/81/353297081.db2.gz KLFHTYXLSZCLRG-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO CCc1ccccc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252755951 353304356 /nfs/dbraw/zinc/30/43/56/353304356.db2.gz BPGOMUXXMHZNTA-JSGCOSHPSA-N 1 3 232.371 2.418 20 0 BEADHO CC1(C)CC[N@H+](C[C@@H]2CCCNC2)CCS1 ZINC000231047867 353560780 /nfs/dbraw/zinc/56/07/80/353560780.db2.gz YETSKADZOAQYGM-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)CC[N@@H+](C[C@@H]2CCCNC2)CCS1 ZINC000231047867 353560783 /nfs/dbraw/zinc/56/07/83/353560783.db2.gz YETSKADZOAQYGM-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)CCN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000231047867 353560786 /nfs/dbraw/zinc/56/07/86/353560786.db2.gz YETSKADZOAQYGM-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO Fc1ccc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC000297413217 180987173 /nfs/dbraw/zinc/98/71/73/180987173.db2.gz NZLXECRLDJSFLO-UHFFFAOYSA-N 1 3 248.345 2.183 20 0 BEADHO Fc1cccc2c1CN(CC1CC[NH2+]CC1)CC2 ZINC000261799828 181007372 /nfs/dbraw/zinc/00/73/72/181007372.db2.gz GVZJBVIKAWHHDJ-UHFFFAOYSA-N 1 3 248.345 2.183 20 0 BEADHO CC(C)[C@H](C)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000220357954 353831574 /nfs/dbraw/zinc/83/15/74/353831574.db2.gz CREYAENNOCTFLF-QWHCGFSZSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[C@H](C)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000220357954 353831575 /nfs/dbraw/zinc/83/15/75/353831575.db2.gz CREYAENNOCTFLF-QWHCGFSZSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000230664921 363318246 /nfs/dbraw/zinc/31/82/46/363318246.db2.gz XWFMTTYWDJUQSL-FDYHWXHSSA-N 1 3 210.365 2.140 20 0 BEADHO CCC[C@@H](CN(CC)CCC[NH+](C)C)OC ZINC000639175924 354210437 /nfs/dbraw/zinc/21/04/37/354210437.db2.gz RMTHBDRQEODSHV-ZDUSSCGKSA-N 1 3 230.396 2.075 20 0 BEADHO CC[N@H+](CCC1CC1)C[C@@H]1CCCNC1 ZINC000233466754 363403738 /nfs/dbraw/zinc/40/37/38/363403738.db2.gz PVOONYAXBSNEBW-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@@H+](CCC1CC1)C[C@@H]1CCCNC1 ZINC000233466754 363403743 /nfs/dbraw/zinc/40/37/43/363403743.db2.gz PVOONYAXBSNEBW-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1csc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000335164184 354951219 /nfs/dbraw/zinc/95/12/19/354951219.db2.gz OTTVKAJQHHAZLT-MNOVXSKESA-N 1 3 210.346 2.026 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCSC2)CC1 ZINC000335196461 355029834 /nfs/dbraw/zinc/02/98/34/355029834.db2.gz WHQAXQVMOZSSMG-OLZOCXBDSA-N 1 3 242.432 2.156 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCSC2)CC1 ZINC000335196461 355029839 /nfs/dbraw/zinc/02/98/39/355029839.db2.gz WHQAXQVMOZSSMG-OLZOCXBDSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCCC1 ZINC000335197173 355030428 /nfs/dbraw/zinc/03/04/28/355030428.db2.gz RBMNJCASVNWZHE-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO COc1ccc([C@@H](C)CN2CCC([NH3+])CC2)cc1 ZINC000346657061 355004753 /nfs/dbraw/zinc/00/47/53/355004753.db2.gz SXLVAPNKVKOAGA-LBPRGKRZSA-N 1 3 248.370 2.222 20 0 BEADHO C[C@@H]([NH2+]C1CCC(C)(C)CC1)C1CNC1 ZINC000335217479 355056488 /nfs/dbraw/zinc/05/64/88/355056488.db2.gz OIFSHMBTGXLBGI-SNVBAGLBSA-N 1 3 210.365 2.153 20 0 BEADHO CCC[N@H+](C[C@@H]1CCCCO1)CC(C)(C)N ZINC000346844125 355134496 /nfs/dbraw/zinc/13/44/96/355134496.db2.gz KWICOHMLBRHDRW-LBPRGKRZSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](C[C@@H]1CCCCO1)CC(C)(C)N ZINC000346844125 355134498 /nfs/dbraw/zinc/13/44/98/355134498.db2.gz KWICOHMLBRHDRW-LBPRGKRZSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346972750 355208176 /nfs/dbraw/zinc/20/81/76/355208176.db2.gz HXPYBTDNWFWDFX-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346972750 355208177 /nfs/dbraw/zinc/20/81/77/355208177.db2.gz HXPYBTDNWFWDFX-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO C1CC1[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000335253590 355210915 /nfs/dbraw/zinc/21/09/15/355210915.db2.gz YJCOYMSYPQORNK-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000346965937 355172981 /nfs/dbraw/zinc/17/29/81/355172981.db2.gz CELFRZSTANHTBY-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346965937 355172983 /nfs/dbraw/zinc/17/29/83/355172983.db2.gz CELFRZSTANHTBY-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[NH+]1CCC(N(C)C[C@@H](CC)OC)CC1 ZINC000412974739 191345340 /nfs/dbraw/zinc/34/53/40/191345340.db2.gz CLQOBUCKWUXJAD-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC1(F)F ZINC000639245728 355275093 /nfs/dbraw/zinc/27/50/93/355275093.db2.gz BDXPBJKEAAFUSQ-IYJVRESMSA-N 1 3 244.329 2.245 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(F)F ZINC000639245728 355275095 /nfs/dbraw/zinc/27/50/95/355275095.db2.gz BDXPBJKEAAFUSQ-IYJVRESMSA-N 1 3 244.329 2.245 20 0 BEADHO CCC1CC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000335516251 355312002 /nfs/dbraw/zinc/31/20/02/355312002.db2.gz JOBQBKJKPZQEQA-FMNWTUGISA-N 1 3 208.349 2.048 20 0 BEADHO c1ccc(OCCCC[NH2+]C2CCNCC2)cc1 ZINC000414778345 191566805 /nfs/dbraw/zinc/56/68/05/191566805.db2.gz HZAJYTXKDPTUDC-UHFFFAOYSA-N 1 3 248.370 2.187 20 0 BEADHO CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414825838 191587599 /nfs/dbraw/zinc/58/75/99/191587599.db2.gz UJEWTUBPAPQBDW-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO CCOc1cccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000215955937 355619521 /nfs/dbraw/zinc/61/95/21/355619521.db2.gz FQZNAAUGYWLEPT-GXTWGEPZSA-N 1 3 248.370 2.254 20 0 BEADHO C[C@@H](F)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000352050002 134046191 /nfs/dbraw/zinc/04/61/91/134046191.db2.gz PHZKIIJNTKAAHR-NEPJUHHUSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@@H](F)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000352050002 134046192 /nfs/dbraw/zinc/04/61/92/134046192.db2.gz PHZKIIJNTKAAHR-NEPJUHHUSA-N 1 3 216.344 2.008 20 0 BEADHO CC(C)C[NH+]1CCC(N[C@H]2CCSC2)CC1 ZINC000166578578 355696986 /nfs/dbraw/zinc/69/69/86/355696986.db2.gz XZOCXCXLUHJANY-ZDUSSCGKSA-N 1 3 242.432 2.202 20 0 BEADHO CCC[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)OC ZINC000639347806 355794467 /nfs/dbraw/zinc/79/44/67/355794467.db2.gz QYOUJVSKGRARKJ-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@H]1CCCC[N@H+](C)C1)OC ZINC000639347806 355794472 /nfs/dbraw/zinc/79/44/72/355794472.db2.gz QYOUJVSKGRARKJ-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639347806 355794474 /nfs/dbraw/zinc/79/44/74/355794474.db2.gz QYOUJVSKGRARKJ-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000309671283 491085764 /nfs/dbraw/zinc/08/57/64/491085764.db2.gz JXHSDEQPOKWFRC-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000309671281 491085770 /nfs/dbraw/zinc/08/57/70/491085770.db2.gz JXHSDEQPOKWFRC-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](F)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000351882131 356120318 /nfs/dbraw/zinc/12/03/18/356120318.db2.gz PAWWWSODHUGBPX-AVGNSLFASA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H](F)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000351882131 356120321 /nfs/dbraw/zinc/12/03/21/356120321.db2.gz PAWWWSODHUGBPX-AVGNSLFASA-N 1 3 228.355 2.151 20 0 BEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264621 192191856 /nfs/dbraw/zinc/19/18/56/192191856.db2.gz ASGMHYVCUFFGLO-UKRRQHHQSA-N 1 3 247.386 2.216 20 0 BEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264621 192191857 /nfs/dbraw/zinc/19/18/57/192191857.db2.gz ASGMHYVCUFFGLO-UKRRQHHQSA-N 1 3 247.386 2.216 20 0 BEADHO COCCC1(C[NH2+][C@H](C)C[C@H](C)N)CCCC1 ZINC000422884481 192497862 /nfs/dbraw/zinc/49/78/62/192497862.db2.gz DXKFNOUQVREURF-QWHCGFSZSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000420281773 192200321 /nfs/dbraw/zinc/20/03/21/192200321.db2.gz AJWSCCZZTMMPFP-BFHYXJOUSA-N 1 3 240.391 2.005 20 0 BEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000420317664 192213042 /nfs/dbraw/zinc/21/30/42/192213042.db2.gz NPZDNQOBOLFFPA-GXTWGEPZSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000420317664 192213045 /nfs/dbraw/zinc/21/30/45/192213045.db2.gz NPZDNQOBOLFFPA-GXTWGEPZSA-N 1 3 248.370 2.079 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CCCc1ccncc1 ZINC000420314006 192213135 /nfs/dbraw/zinc/21/31/35/192213135.db2.gz KPVUCJCOSLERLT-HNNXBMFYSA-N 1 3 247.386 2.218 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420314006 192213137 /nfs/dbraw/zinc/21/31/37/192213137.db2.gz KPVUCJCOSLERLT-HNNXBMFYSA-N 1 3 247.386 2.218 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420314006 192213140 /nfs/dbraw/zinc/21/31/40/192213140.db2.gz KPVUCJCOSLERLT-HNNXBMFYSA-N 1 3 247.386 2.218 20 0 BEADHO CN(CC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420318411 192214546 /nfs/dbraw/zinc/21/45/46/192214546.db2.gz WBEQBIYRLQOHTG-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+](CC[C@@H]1CCCCO1)[C@H]1CCCNCC1 ZINC000420318411 192214548 /nfs/dbraw/zinc/21/45/48/192214548.db2.gz WBEQBIYRLQOHTG-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@@H+](CC[C@@H]1CCCCO1)[C@H]1CCCNCC1 ZINC000420318411 192214551 /nfs/dbraw/zinc/21/45/51/192214551.db2.gz WBEQBIYRLQOHTG-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(CCCc2ccsc2)C1 ZINC000420317252 192212838 /nfs/dbraw/zinc/21/28/38/192212838.db2.gz ZDCHSSBBTFFCLY-WCQYABFASA-N 1 3 238.400 2.350 20 0 BEADHO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)N ZINC000420356972 192220567 /nfs/dbraw/zinc/22/05/67/192220567.db2.gz HIDGLPDBINMSMK-SMDDNHRTSA-N 1 3 218.344 2.171 20 0 BEADHO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](C)N ZINC000420356972 192220568 /nfs/dbraw/zinc/22/05/68/192220568.db2.gz HIDGLPDBINMSMK-SMDDNHRTSA-N 1 3 218.344 2.171 20 0 BEADHO CC(C)COCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420358166 192220777 /nfs/dbraw/zinc/22/07/77/192220777.db2.gz FBBDHASOZZJPEA-CQSZACIVSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@H](N)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420410157 192238946 /nfs/dbraw/zinc/23/89/46/192238946.db2.gz RDDWRYMFLLYILQ-GZBFAFLISA-N 1 3 248.370 2.091 20 0 BEADHO Cc1ccc(CCN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420408092 192239597 /nfs/dbraw/zinc/23/95/97/192239597.db2.gz OWXZEAQXPHNQEF-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC000420408092 192239600 /nfs/dbraw/zinc/23/96/00/192239600.db2.gz OWXZEAQXPHNQEF-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](C)[C@@H](CN)C2)cc1 ZINC000420408092 192239602 /nfs/dbraw/zinc/23/96/02/192239602.db2.gz OWXZEAQXPHNQEF-HOCLYGCPSA-N 1 3 246.398 2.454 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000420410156 192239630 /nfs/dbraw/zinc/23/96/30/192239630.db2.gz RDDWRYMFLLYILQ-GUTXKFCHSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccccn1 ZINC000420419837 192241464 /nfs/dbraw/zinc/24/14/64/192241464.db2.gz XVSJDRGRCSPFHF-LBPRGKRZSA-N 1 3 233.359 2.122 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000420381000 192233096 /nfs/dbraw/zinc/23/30/96/192233096.db2.gz XFFGTOQRUBJVPC-BDAKNGLRSA-N 1 3 244.285 2.286 20 0 BEADHO CCc1cc(N2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000336192236 134123824 /nfs/dbraw/zinc/12/38/24/134123824.db2.gz ICQADENSEVUUKG-AWEZNQCLSA-N 1 3 233.359 2.174 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000336197080 134126699 /nfs/dbraw/zinc/12/66/99/134126699.db2.gz KGEHHXQTCKIYLX-GXTWGEPZSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000336197080 134126700 /nfs/dbraw/zinc/12/67/00/134126700.db2.gz KGEHHXQTCKIYLX-GXTWGEPZSA-N 1 3 222.376 2.251 20 0 BEADHO CC1(C)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000261531496 535322735 /nfs/dbraw/zinc/32/27/35/535322735.db2.gz GTLOHGINEITRAR-NSHDSACASA-N 1 3 210.365 2.426 20 0 BEADHO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)N ZINC000422922007 192507244 /nfs/dbraw/zinc/50/72/44/192507244.db2.gz RPDWTFKZEJJSEC-FQUUOJAGSA-N 1 3 242.407 2.153 20 0 BEADHO Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)CCC[NH3+] ZINC000422958320 192525514 /nfs/dbraw/zinc/52/55/14/192525514.db2.gz PGRSCUQPZKJGAN-BXUZGUMPSA-N 1 3 248.370 2.454 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639685933 356601670 /nfs/dbraw/zinc/60/16/70/356601670.db2.gz ZEQBKHTXIBPSGD-ZIAGYGMSSA-N 1 3 245.370 2.250 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639685933 356601673 /nfs/dbraw/zinc/60/16/73/356601673.db2.gz ZEQBKHTXIBPSGD-ZIAGYGMSSA-N 1 3 245.370 2.250 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CNc2ccnc(CC)c2)C1 ZINC000450272334 202117002 /nfs/dbraw/zinc/11/70/02/202117002.db2.gz BGJNYBNNCRKACD-ZDUSSCGKSA-N 1 3 247.386 2.210 20 0 BEADHO CCC[N@H+]1CC[C@@H](CNc2ccnc(CC)c2)C1 ZINC000450272334 202117004 /nfs/dbraw/zinc/11/70/04/202117004.db2.gz BGJNYBNNCRKACD-ZDUSSCGKSA-N 1 3 247.386 2.210 20 0 BEADHO CSCCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000423056063 192554446 /nfs/dbraw/zinc/55/44/46/192554446.db2.gz WWYUWMLNWQNJQT-GHMZBOCLSA-N 1 3 218.410 2.235 20 0 BEADHO CCC1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000386113043 356670127 /nfs/dbraw/zinc/67/01/27/356670127.db2.gz LTAIJKUQQOUCKI-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCN(CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000167770815 134154223 /nfs/dbraw/zinc/15/42/23/134154223.db2.gz OYSUCDPVLWUZII-ZFWWWQNUSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1CN ZINC000167770815 134154224 /nfs/dbraw/zinc/15/42/24/134154224.db2.gz OYSUCDPVLWUZII-ZFWWWQNUSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1CN ZINC000167770815 134154225 /nfs/dbraw/zinc/15/42/25/134154225.db2.gz OYSUCDPVLWUZII-ZFWWWQNUSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H](CCC[NH3+])NCc1cccc(F)c1F ZINC000583681131 356706772 /nfs/dbraw/zinc/70/67/72/356706772.db2.gz DLTZAVHOXOWCOR-SECBINFHSA-N 1 3 228.286 2.182 20 0 BEADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000423171893 192606915 /nfs/dbraw/zinc/60/69/15/192606915.db2.gz QLCKASQGBRMOCL-DRABBMOASA-N 1 3 248.370 2.014 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@@H](CNC)C1 ZINC000261548172 535351012 /nfs/dbraw/zinc/35/10/12/535351012.db2.gz NFKHWXDREUKDDK-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@@H](CNC)C1 ZINC000261548172 535351014 /nfs/dbraw/zinc/35/10/14/535351014.db2.gz NFKHWXDREUKDDK-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCCCNC2)C1 ZINC000257786750 538766700 /nfs/dbraw/zinc/76/67/00/538766700.db2.gz MJNAFIYCSVUAGF-MJBXVCDLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCCCNC2)C1 ZINC000257786750 538766704 /nfs/dbraw/zinc/76/67/04/538766704.db2.gz MJNAFIYCSVUAGF-MJBXVCDLSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423220340 192631662 /nfs/dbraw/zinc/63/16/62/192631662.db2.gz YCQYVZZYHGJRFX-AGIUHOORSA-N 1 3 210.365 2.010 20 0 BEADHO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000390253084 357087637 /nfs/dbraw/zinc/08/76/37/357087637.db2.gz VDOYEDZLOUYLNI-VHSXEESVSA-N 1 3 220.307 2.281 20 0 BEADHO CC(C)(F)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000631660816 357197195 /nfs/dbraw/zinc/19/71/95/357197195.db2.gz ZBCBMBCYWOJWTD-UHFFFAOYSA-N 1 3 228.355 2.199 20 0 BEADHO CNC[C@H](C)C[NH2+]C1CCC2(CC2)CC1 ZINC000423268779 192663353 /nfs/dbraw/zinc/66/33/53/192663353.db2.gz GKUHXQLXJHQKQB-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@H]1C[C@H]1C ZINC000423285229 192677077 /nfs/dbraw/zinc/67/70/77/192677077.db2.gz YBASZRXTOPYMDA-RXGFPQBGSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425918 357254175 /nfs/dbraw/zinc/25/41/75/357254175.db2.gz ZCZQTAQWMOVJPQ-UPJWGTAASA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000423285369 192678377 /nfs/dbraw/zinc/67/83/77/192678377.db2.gz ZFBDFIKDNLZODV-KBPBESRZSA-N 1 3 235.375 2.352 20 0 BEADHO Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H](C)C[NH3+] ZINC000423298387 192687529 /nfs/dbraw/zinc/68/75/29/192687529.db2.gz OGAFVDWBLDBRED-GXTWGEPZSA-N 1 3 248.370 2.393 20 0 BEADHO CCNCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000582779476 357390741 /nfs/dbraw/zinc/39/07/41/357390741.db2.gz IDSRKLFWKOZXFF-CQSZACIVSA-N 1 3 249.402 2.382 20 0 BEADHO C[C@@H](CN)C[NH2+]C1CCc2ccccc2CC1 ZINC000423300670 192689381 /nfs/dbraw/zinc/68/93/81/192689381.db2.gz DUMMUXQKUVYTEE-LBPRGKRZSA-N 1 3 232.371 2.118 20 0 BEADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCNC(C)C ZINC000582899110 357425415 /nfs/dbraw/zinc/42/54/15/357425415.db2.gz YQPPILHVGODZGU-KGLIPLIRSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H](NCCCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000395242885 357429139 /nfs/dbraw/zinc/42/91/39/357429139.db2.gz RCZHWKDCNVBHNX-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000582915655 357434955 /nfs/dbraw/zinc/43/49/55/357434955.db2.gz IJSIHIILWSZDFG-NWDGAFQWSA-N 1 3 238.400 2.459 20 0 BEADHO Cc1ccsc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582915655 357434958 /nfs/dbraw/zinc/43/49/58/357434958.db2.gz IJSIHIILWSZDFG-NWDGAFQWSA-N 1 3 238.400 2.459 20 0 BEADHO Cc1occc1CNCC1CC[NH+](C)CC1 ZINC000321338400 357508800 /nfs/dbraw/zinc/50/88/00/357508800.db2.gz AVMZXALRKKGVKR-UHFFFAOYSA-N 1 3 222.332 2.019 20 0 BEADHO Cc1cc(C)c(CN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000396976186 357488070 /nfs/dbraw/zinc/48/80/70/357488070.db2.gz KIGTZSXIGROPKK-KBPBESRZSA-N 1 3 233.359 2.058 20 0 BEADHO C[C@H]([NH2+]CCOCCN(C)C)C1CCCCC1 ZINC000231786900 357628936 /nfs/dbraw/zinc/62/89/36/357628936.db2.gz GLZHQKGKOSFRNR-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CC[NH2+]CCNC[C@H]1CCCC(C)(C)C1 ZINC000583740374 357931770 /nfs/dbraw/zinc/93/17/70/357931770.db2.gz VQQDBMABFOEOTA-LBPRGKRZSA-N 1 3 212.381 2.402 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000583763864 357938586 /nfs/dbraw/zinc/93/85/86/357938586.db2.gz MQLGIPDSUMFQBZ-WDEREUQCSA-N 1 3 214.328 2.128 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000584479864 357996733 /nfs/dbraw/zinc/99/67/33/357996733.db2.gz KAGOQDYEWBIYRC-XUXIUFHCSA-N 1 3 222.376 2.282 20 0 BEADHO COCc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000584517361 358029079 /nfs/dbraw/zinc/02/90/79/358029079.db2.gz VXYYTBQSEBVEFX-LSDHHAIUSA-N 1 3 248.370 2.193 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCCNCC2)CCCS1 ZINC000168773974 134247641 /nfs/dbraw/zinc/24/76/41/134247641.db2.gz WFKCVLPTDWTVHJ-VXGBXAGGSA-N 1 3 228.405 2.004 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000168717128 134246633 /nfs/dbraw/zinc/24/66/33/134246633.db2.gz ICPPAPNNHHPOIQ-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000584585632 358099710 /nfs/dbraw/zinc/09/97/10/358099710.db2.gz OQLISOSSOBKKBD-NRWUCQMLSA-N 1 3 245.370 2.298 20 0 BEADHO COc1cccc2c1CCC[C@@H]2NCC[C@H](C)[NH3+] ZINC000584834123 358196858 /nfs/dbraw/zinc/19/68/58/358196858.db2.gz ZNNRVPBQBVCWEP-FZMZJTMJSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@]1(CN)CC[N@H+](CCCc2ccccc2)C1 ZINC000235706988 358447338 /nfs/dbraw/zinc/44/73/38/358447338.db2.gz SHWVVQUCWWAYNM-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CCCc2ccccc2)C1 ZINC000235706988 358447342 /nfs/dbraw/zinc/44/73/42/358447342.db2.gz SHWVVQUCWWAYNM-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO C[NH+]1CCC(CNCc2ccc(Cl)o2)CC1 ZINC000044516287 358550640 /nfs/dbraw/zinc/55/06/40/358550640.db2.gz LSLZCMJMJCNJNE-UHFFFAOYSA-N 1 3 242.750 2.364 20 0 BEADHO CC(C)C[N@H+](CCCN)Cc1ccccc1 ZINC000043417417 358537521 /nfs/dbraw/zinc/53/75/21/358537521.db2.gz YVQSQPLLPSBOLQ-UHFFFAOYSA-N 1 3 220.360 2.493 20 0 BEADHO CC(C)C[N@@H+](CCCN)Cc1ccccc1 ZINC000043417417 358537527 /nfs/dbraw/zinc/53/75/27/358537527.db2.gz YVQSQPLLPSBOLQ-UHFFFAOYSA-N 1 3 220.360 2.493 20 0 BEADHO CC(C)CN(CCC[NH3+])Cc1ccccc1 ZINC000043417417 358537532 /nfs/dbraw/zinc/53/75/32/358537532.db2.gz YVQSQPLLPSBOLQ-UHFFFAOYSA-N 1 3 220.360 2.493 20 0 BEADHO CCCC[NH+]1CCC(N[C@H](C)[C@H](C)OC)CC1 ZINC000130019514 358605644 /nfs/dbraw/zinc/60/56/44/358605644.db2.gz GLZWZSKOLHBPGA-OLZOCXBDSA-N 1 3 242.407 2.264 20 0 BEADHO Cc1cccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000219836992 134292083 /nfs/dbraw/zinc/29/20/83/134292083.db2.gz BHYVJULQJQUVOV-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO CCCN1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000135435876 358838486 /nfs/dbraw/zinc/83/84/86/358838486.db2.gz USPWAGXHWZGREW-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423313899 192700726 /nfs/dbraw/zinc/70/07/26/192700726.db2.gz GHLACLWUPNUTDW-TZMCWYRMSA-N 1 3 224.392 2.400 20 0 BEADHO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000246978396 359180208 /nfs/dbraw/zinc/18/02/08/359180208.db2.gz ISPSKAKNKBEYHR-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2c1CCCN2 ZINC000423411948 192748682 /nfs/dbraw/zinc/74/86/82/192748682.db2.gz GQCSNESKORPBBM-NEPJUHHUSA-N 1 3 247.386 2.260 20 0 BEADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccnc1 ZINC000423425944 192750658 /nfs/dbraw/zinc/75/06/58/192750658.db2.gz DSIBYDJYIWSDAH-BYCMXARLSA-N 1 3 245.370 2.120 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C12CCCC2 ZINC000423453817 192776712 /nfs/dbraw/zinc/77/67/12/192776712.db2.gz YHCZLOGMNJERAV-MROQNXINSA-N 1 3 240.391 2.050 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423471783 192785699 /nfs/dbraw/zinc/78/56/99/192785699.db2.gz PZPJTNCHOKEXRM-BXUZGUMPSA-N 1 3 234.343 2.009 20 0 BEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN)C12CCCCC2 ZINC000087298417 359906529 /nfs/dbraw/zinc/90/65/29/359906529.db2.gz NEZTVAFQEUMWLY-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO CCO[C@@H]1C[C@@H](NCCC[NH3+])C12CCCCC2 ZINC000087298417 359906532 /nfs/dbraw/zinc/90/65/32/359906532.db2.gz NEZTVAFQEUMWLY-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO CCO[C@H]1C[C@H]([NH2+]CCCN)C12CCCCC2 ZINC000087298415 359906606 /nfs/dbraw/zinc/90/66/06/359906606.db2.gz NEZTVAFQEUMWLY-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO CCO[C@H]1C[C@H](NCCC[NH3+])C12CCCCC2 ZINC000087298415 359906607 /nfs/dbraw/zinc/90/66/07/359906607.db2.gz NEZTVAFQEUMWLY-STQMWFEESA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+]C[C@H]1CCCNC1 ZINC000087646535 359922378 /nfs/dbraw/zinc/92/23/78/359922378.db2.gz POLMTHHCHVPMGL-RYUDHWBXSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](Cc1cccs1)NC[C@H]1CCC[NH2+]C1 ZINC000087646535 359922388 /nfs/dbraw/zinc/92/23/88/359922388.db2.gz POLMTHHCHVPMGL-RYUDHWBXSA-N 1 3 238.400 2.268 20 0 BEADHO [NH3+]CCCN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816275 359931070 /nfs/dbraw/zinc/93/10/70/359931070.db2.gz IDGBLAWSGCUFHK-CQSZACIVSA-N 1 3 243.354 2.484 20 0 BEADHO Cc1cccc([C@H](C)[NH2+]C2CCNCC2)c1 ZINC000088162144 359938562 /nfs/dbraw/zinc/93/85/62/359938562.db2.gz XQYOSOSNSXFNNK-LBPRGKRZSA-N 1 3 218.344 2.398 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000088536900 359965840 /nfs/dbraw/zinc/96/58/40/359965840.db2.gz HDNZWWZZVXWBII-QWHCGFSZSA-N 1 3 212.381 2.306 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000088536900 359965844 /nfs/dbraw/zinc/96/58/44/359965844.db2.gz HDNZWWZZVXWBII-QWHCGFSZSA-N 1 3 212.381 2.306 20 0 BEADHO CC(C)COCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089140450 359992467 /nfs/dbraw/zinc/99/24/67/359992467.db2.gz OWIPJBZMQJSRIS-KGLIPLIRSA-N 1 3 242.407 2.156 20 0 BEADHO CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000090219853 360065628 /nfs/dbraw/zinc/06/56/28/360065628.db2.gz RJYGCKZYEQMESY-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000090219853 360065630 /nfs/dbraw/zinc/06/56/30/360065630.db2.gz RJYGCKZYEQMESY-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000090219853 360065632 /nfs/dbraw/zinc/06/56/32/360065632.db2.gz RJYGCKZYEQMESY-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CCN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000090320650 360070383 /nfs/dbraw/zinc/07/03/83/360070383.db2.gz ZBRDSZZLKCOBMI-BMFZPTHFSA-N 1 3 244.382 2.331 20 0 BEADHO C[NH+](C)C1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000091669395 360122743 /nfs/dbraw/zinc/12/27/43/360122743.db2.gz CVTXHYVBBMWDJF-CYBMUJFWSA-N 1 3 222.376 2.369 20 0 BEADHO CC[C@H](COC)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516603 360255797 /nfs/dbraw/zinc/25/57/97/360255797.db2.gz QSJINEJGWISMFN-MJBXVCDLSA-N 1 3 242.407 2.312 20 0 BEADHO Cc1ncccc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089255 360216661 /nfs/dbraw/zinc/21/66/61/360216661.db2.gz GDXGJVCKLUKCGV-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO COC[C@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516224 360256184 /nfs/dbraw/zinc/25/61/84/360256184.db2.gz WNXBFUHQRUSFIV-HZSPNIEDSA-N 1 3 242.407 2.169 20 0 BEADHO CCOCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093496274 360251159 /nfs/dbraw/zinc/25/11/59/360251159.db2.gz XGNGKMLKAWRKNJ-KGLIPLIRSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000414882306 200774472 /nfs/dbraw/zinc/77/44/72/200774472.db2.gz UABUVFZZEQUROJ-QJPTWQEYSA-N 1 3 212.381 2.386 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000629385199 361032624 /nfs/dbraw/zinc/03/26/24/361032624.db2.gz UJXFKIPLABSZAY-NWDGAFQWSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000629407674 361056923 /nfs/dbraw/zinc/05/69/23/361056923.db2.gz HSSABVYBYMRZBP-QNWJLWSRSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629409908 361057956 /nfs/dbraw/zinc/05/79/56/361057956.db2.gz XTTFRFQIQSMPEX-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1CCNC1 ZINC000629409923 361058270 /nfs/dbraw/zinc/05/82/70/361058270.db2.gz YIYUXJRZJZTJPX-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000629409834 361059334 /nfs/dbraw/zinc/05/93/34/361059334.db2.gz QKVRXHYFZWJNQZ-OAGGEKHMSA-N 1 3 244.382 2.349 20 0 BEADHO CCC[C@H](C)CCC[N@@H+]1CCCNCC1 ZINC000629505903 361100923 /nfs/dbraw/zinc/10/09/23/361100923.db2.gz PZUFRXQWDKLYQY-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@H](C)CCC[N@H+]1CCCNCC1 ZINC000629505903 361100925 /nfs/dbraw/zinc/10/09/25/361100925.db2.gz PZUFRXQWDKLYQY-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO Cc1cccc2c1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])CO2 ZINC000629513165 361109976 /nfs/dbraw/zinc/10/99/76/361109976.db2.gz FMJCENGYULFGEW-AVGNSLFASA-N 1 3 248.370 2.014 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@H]1C[C@@H]1C ZINC000629528120 361131860 /nfs/dbraw/zinc/13/18/60/361131860.db2.gz PNFYEGIHXFBEBI-PJSNJIKXSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@H]1C[C@H]1C ZINC000629528121 361132081 /nfs/dbraw/zinc/13/20/81/361132081.db2.gz PNFYEGIHXFBEBI-QNWJLWSRSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629524176 361121901 /nfs/dbraw/zinc/12/19/01/361121901.db2.gz MYWHLADYVGBZQJ-ZDUSSCGKSA-N 1 3 248.370 2.154 20 0 BEADHO C1CC1C1([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000309697901 491154622 /nfs/dbraw/zinc/15/46/22/491154622.db2.gz RXSVCAUIELJUKA-STQMWFEESA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000309697901 491154623 /nfs/dbraw/zinc/15/46/23/491154623.db2.gz RXSVCAUIELJUKA-STQMWFEESA-N 1 3 220.360 2.145 20 0 BEADHO C1CC1C1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000309697901 491154624 /nfs/dbraw/zinc/15/46/24/491154624.db2.gz RXSVCAUIELJUKA-STQMWFEESA-N 1 3 220.360 2.145 20 0 BEADHO Cc1ccccc1[C@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629525237 361125724 /nfs/dbraw/zinc/12/57/24/361125724.db2.gz YXVSZCAWXDESOH-ZDUSSCGKSA-N 1 3 248.370 2.154 20 0 BEADHO C1CC12C[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424372898 200924421 /nfs/dbraw/zinc/92/44/21/200924421.db2.gz ITYISLYWBVHBDA-DGAVXFQQSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@@H](NCC[C@H]1CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000622043666 370674277 /nfs/dbraw/zinc/67/42/77/370674277.db2.gz HFLQJAMDQSNUNR-VWYCJHECSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@@H](NCC1CC(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000622044866 370674440 /nfs/dbraw/zinc/67/44/40/370674440.db2.gz WGGDSEXHQAMGHZ-KPFVRQRISA-N 1 3 210.365 2.153 20 0 BEADHO CCN(CC)CCC[N@H+](C)C(C)(C)COC ZINC000429263008 201086791 /nfs/dbraw/zinc/08/67/91/201086791.db2.gz HWKXQEFSMHQUMG-UHFFFAOYSA-N 1 3 230.396 2.075 20 0 BEADHO CCN(CC)CCC[N@@H+](C)C(C)(C)COC ZINC000429263008 201086792 /nfs/dbraw/zinc/08/67/92/201086792.db2.gz HWKXQEFSMHQUMG-UHFFFAOYSA-N 1 3 230.396 2.075 20 0 BEADHO [NH3+]C1(CNCCCc2ccccc2)CCC1 ZINC000342135717 181331834 /nfs/dbraw/zinc/33/18/34/181331834.db2.gz LCQAPYKXTDBMTO-UHFFFAOYSA-N 1 3 218.344 2.090 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000579328732 366760019 /nfs/dbraw/zinc/76/00/19/366760019.db2.gz PBPKENYUYYPVQY-NQBHXWOUSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000579328732 366760024 /nfs/dbraw/zinc/76/00/24/366760024.db2.gz PBPKENYUYYPVQY-NQBHXWOUSA-N 1 3 238.400 2.409 20 0 BEADHO CC[C@@H](NCCOCCC[NH3+])c1cccs1 ZINC000629536785 361400106 /nfs/dbraw/zinc/40/01/06/361400106.db2.gz HNSGRIGHJDGKQH-LLVKDONJSA-N 1 3 242.388 2.154 20 0 BEADHO C[C@@H]1C[C@H](NCCOCCC[NH3+])c2ccccc21 ZINC000629535356 361410375 /nfs/dbraw/zinc/41/03/75/361410375.db2.gz BZTOIDBNKDDIAQ-DOMZBBRYSA-N 1 3 248.370 2.190 20 0 BEADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429581588 201118031 /nfs/dbraw/zinc/11/80/31/201118031.db2.gz USDHWQPKHDGZCK-KWBADKCTSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000629543800 361412781 /nfs/dbraw/zinc/41/27/81/361412781.db2.gz BQULZLDWYBGSAW-IRCOFANPSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)C1CCCC1 ZINC000629543863 361413126 /nfs/dbraw/zinc/41/31/26/361413126.db2.gz CRHZMDNFLKFJAE-WCFLWFBJSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCCC1 ZINC000629543863 361413130 /nfs/dbraw/zinc/41/31/30/361413130.db2.gz CRHZMDNFLKFJAE-WCFLWFBJSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1C[C@@H](NCCOCCC[NH3+])c2ccccc21 ZINC000629535358 361409927 /nfs/dbraw/zinc/40/99/27/361409927.db2.gz BZTOIDBNKDDIAQ-SWLSCSKDSA-N 1 3 248.370 2.190 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2CCC23CCCC3)C[NH2+]1 ZINC000629542707 361420281 /nfs/dbraw/zinc/42/02/81/361420281.db2.gz JOBIVGRTQJDJPN-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000629545595 361426325 /nfs/dbraw/zinc/42/63/25/361426325.db2.gz LTJXHSHWOVGCLT-QJPTWQEYSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629546934 361429196 /nfs/dbraw/zinc/42/91/96/361429196.db2.gz QPCJULOIVBYSGC-KCQAQPDRSA-N 1 3 247.386 2.133 20 0 BEADHO CC1(C)CC(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000629554093 361439817 /nfs/dbraw/zinc/43/98/17/361439817.db2.gz ZDQHHCHCRWPHQQ-GXTWGEPZSA-N 1 3 222.376 2.236 20 0 BEADHO CC1(C)CC(CN2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000629554095 361440336 /nfs/dbraw/zinc/44/03/36/361440336.db2.gz ZDQHHCHCRWPHQQ-JSGCOSHPSA-N 1 3 222.376 2.236 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCCc2ccccc2C)C1 ZINC000430941213 201158870 /nfs/dbraw/zinc/15/88/70/201158870.db2.gz VABODEPXKUPEEZ-OAHLLOKOSA-N 1 3 246.398 2.469 20 0 BEADHO C/C=C/C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000629595410 361481875 /nfs/dbraw/zinc/48/18/75/361481875.db2.gz OPHSVGUFXFFHMS-GWSUEFFPSA-N 1 3 222.376 2.274 20 0 BEADHO C/C=C\C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000629595408 361481920 /nfs/dbraw/zinc/48/19/20/361481920.db2.gz OPHSVGUFXFFHMS-DTSKHDKYSA-N 1 3 222.376 2.274 20 0 BEADHO CC1(C)CC(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629595825 361483841 /nfs/dbraw/zinc/48/38/41/361483841.db2.gz QZHXKRSWMXMROY-GASCZTMLSA-N 1 3 236.403 2.354 20 0 BEADHO COCc1ccc(CN[C@@H](C)CCCC[NH3+])o1 ZINC000629649205 361543015 /nfs/dbraw/zinc/54/30/15/361543015.db2.gz MAFMOISWFRIONP-NSHDSACASA-N 1 3 240.347 2.033 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966808 364376806 /nfs/dbraw/zinc/37/68/06/364376806.db2.gz RSMHJGLQGWUPSO-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CC[C@H](NCC2CCCCC2)C[NH2+]1 ZINC000398974256 364401106 /nfs/dbraw/zinc/40/11/06/364401106.db2.gz XYGXMIBDNGFSIH-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(F)c(F)c1 ZINC000573711446 364899236 /nfs/dbraw/zinc/89/92/36/364899236.db2.gz TVWKJGYTLMDADS-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(F)c(F)c1 ZINC000573711446 364899245 /nfs/dbraw/zinc/89/92/45/364899245.db2.gz TVWKJGYTLMDADS-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(F)c(F)c1 ZINC000573711445 364899382 /nfs/dbraw/zinc/89/93/82/364899382.db2.gz TVWKJGYTLMDADS-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000573711445 364899388 /nfs/dbraw/zinc/89/93/88/364899388.db2.gz TVWKJGYTLMDADS-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](N)C[C@H]2C)cc1 ZINC000573931521 364949496 /nfs/dbraw/zinc/94/94/96/364949496.db2.gz XAIWMECWOHUNQY-HIFRSBDPSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](N)C[C@H]2C)cc1 ZINC000573931521 364949500 /nfs/dbraw/zinc/94/95/00/364949500.db2.gz XAIWMECWOHUNQY-HIFRSBDPSA-N 1 3 232.371 2.349 20 0 BEADHO [NH3+]CCCCNCc1c(F)cccc1Cl ZINC000037715030 181377169 /nfs/dbraw/zinc/37/71/69/181377169.db2.gz PKIFIOYPIQXKTN-UHFFFAOYSA-N 1 3 230.714 2.308 20 0 BEADHO CC[C@H](C)C[NH+]1CCN(c2ccncc2)CC1 ZINC000151329503 541441245 /nfs/dbraw/zinc/44/12/45/541441245.db2.gz WBISQLMYYYFFQT-ZDUSSCGKSA-N 1 3 233.359 2.250 20 0 BEADHO [NH3+]CCCN(Cc1ccncc1)CC1CCCC1 ZINC000352534083 181379697 /nfs/dbraw/zinc/37/96/97/181379697.db2.gz CVXXPNFHPCAAJJ-UHFFFAOYSA-N 1 3 247.386 2.423 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000574191060 365006886 /nfs/dbraw/zinc/00/68/86/365006886.db2.gz ALMNGMSDWKCLKF-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO CCc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000574822934 365153418 /nfs/dbraw/zinc/15/34/18/365153418.db2.gz PRDGYBVXZMGIBY-UHFFFAOYSA-N 1 3 232.371 2.434 20 0 BEADHO C(CN1CCCCC1)C[N@@H+]1CCC12CCC2 ZINC000444602785 193052271 /nfs/dbraw/zinc/05/22/71/193052271.db2.gz MKJODHTWNYGQFJ-UHFFFAOYSA-N 1 3 222.376 2.491 20 0 BEADHO C(CN1CCCCC1)C[N@H+]1CCC12CCC2 ZINC000444602785 193052273 /nfs/dbraw/zinc/05/22/73/193052273.db2.gz MKJODHTWNYGQFJ-UHFFFAOYSA-N 1 3 222.376 2.491 20 0 BEADHO CC[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCO1 ZINC000182330867 366886858 /nfs/dbraw/zinc/88/68/58/366886858.db2.gz CUKRRPJXKRCUNA-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@H](NCCC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000182330867 366886861 /nfs/dbraw/zinc/88/68/61/366886861.db2.gz CUKRRPJXKRCUNA-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@@H](C)[C@H](C)[NH2+]CCCNC(C)C ZINC000579822397 367023670 /nfs/dbraw/zinc/02/36/70/367023670.db2.gz IBQBBTGAOAICQE-NEPJUHHUSA-N 1 3 200.370 2.399 20 0 BEADHO CC[C@H]1CCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000381357997 367387588 /nfs/dbraw/zinc/38/75/88/367387588.db2.gz DTBPOCUVBJMZJG-UONOGXRCSA-N 1 3 222.376 2.417 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000381390374 367392534 /nfs/dbraw/zinc/39/25/34/367392534.db2.gz NYXUNEYPERYAFS-MJBXVCDLSA-N 1 3 224.392 2.495 20 0 BEADHO CC1(C)CCC[C@@H](CN2CC[C@H]([NH3+])C2)C1 ZINC000381450133 367407750 /nfs/dbraw/zinc/40/77/50/367407750.db2.gz HDNIWVNUKKYEIR-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000581424109 367464848 /nfs/dbraw/zinc/46/48/48/367464848.db2.gz WEIPMPADMSFXCD-ZWNOBZJWSA-N 1 3 231.343 2.052 20 0 BEADHO CC[C@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000382526913 367533121 /nfs/dbraw/zinc/53/31/21/367533121.db2.gz BOXMJLABJLPPDS-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CCC1CC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135661 367645757 /nfs/dbraw/zinc/64/57/57/367645757.db2.gz QPCCXMUIGAUDIN-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO CC/C=C/CNC1CC[NH+](CCC)CC1 ZINC000384909718 367755994 /nfs/dbraw/zinc/75/59/94/367755994.db2.gz YGPGVWKABXRUFE-AATRIKPKSA-N 1 3 210.365 2.417 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000384940043 367761800 /nfs/dbraw/zinc/76/18/00/367761800.db2.gz QSJQFYDBEXNQBJ-SGMGOOAPSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000384971936 367767458 /nfs/dbraw/zinc/76/74/58/367767458.db2.gz TWDUZEPHNBJHFC-MBNYWOFBSA-N 1 3 240.391 2.015 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCNC2)[C@H]1C ZINC000386090843 367911447 /nfs/dbraw/zinc/91/14/47/367911447.db2.gz FVSQYSOAOFXZSM-MROQNXINSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](N[C@@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386125384 367915648 /nfs/dbraw/zinc/91/56/48/367915648.db2.gz NQUMITAELWXBJG-XQQFMLRXSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@@H](NCC1(C)CCC1)[C@H]1CCCC[NH2+]1 ZINC000386127264 367916178 /nfs/dbraw/zinc/91/61/78/367916178.db2.gz NXXBKFVXXHSRPO-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](NCC1CC(F)(F)C1)[C@@H]1CCCC[NH2+]1 ZINC000386010500 367897654 /nfs/dbraw/zinc/89/76/54/367897654.db2.gz MMGITVLBYFNUSV-KOLCDFICSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H](NC[C@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000386013678 367897762 /nfs/dbraw/zinc/89/77/62/367897762.db2.gz NDNOJVJOBZDDPZ-MELADBBJSA-N 1 3 222.376 2.463 20 0 BEADHO CC(C)OCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386476575 367978354 /nfs/dbraw/zinc/97/83/54/367978354.db2.gz RIVRHRYZKDOFQG-ZIAGYGMSSA-N 1 3 242.407 2.312 20 0 BEADHO CC[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)[C@H](C)O ZINC000386835789 368025457 /nfs/dbraw/zinc/02/54/57/368025457.db2.gz IOKZGIZXRVLWKV-RQJABVFESA-N 1 3 242.407 2.046 20 0 BEADHO CC[C@@H]([NH2+]CCOCCN(C)C)C1CCCC1 ZINC000387475132 368226083 /nfs/dbraw/zinc/22/60/83/368226083.db2.gz UKJQAMKAQYIEFO-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cscc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000087309622 368891188 /nfs/dbraw/zinc/89/11/88/368891188.db2.gz IAONOMPNFUEJHQ-NWDGAFQWSA-N 1 3 224.373 2.416 20 0 BEADHO Cc1ncsc1CN1CCC(CC[NH3+])CC1 ZINC000084149541 368849319 /nfs/dbraw/zinc/84/93/19/368849319.db2.gz PEMCICNZTFBDIQ-UHFFFAOYSA-N 1 3 239.388 2.012 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1C[C@H]1C ZINC000623657273 368997889 /nfs/dbraw/zinc/99/78/89/368997889.db2.gz MNZNXGOUYWTIMB-SYQHCUMBSA-N 1 3 224.392 2.352 20 0 BEADHO CCCn1ccc(CNC[C@H]2CCC[N@H+](C)C2)c1 ZINC000091013034 369004117 /nfs/dbraw/zinc/00/41/17/369004117.db2.gz JNVPHGVDHNNKOH-CQSZACIVSA-N 1 3 249.402 2.330 20 0 BEADHO CCCn1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000091013034 369004121 /nfs/dbraw/zinc/00/41/21/369004121.db2.gz JNVPHGVDHNNKOH-CQSZACIVSA-N 1 3 249.402 2.330 20 0 BEADHO Cc1cc(C)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1 ZINC000631824191 368987543 /nfs/dbraw/zinc/98/75/43/368987543.db2.gz YJQASIAHMPZSQK-GXTWGEPZSA-N 1 3 247.386 2.176 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000623655811 368990994 /nfs/dbraw/zinc/99/09/94/368990994.db2.gz GBLOMNPUHTVLAE-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C2CCCC2)C1 ZINC000623655747 368991796 /nfs/dbraw/zinc/99/17/96/368991796.db2.gz DOEWPAJNALNTRT-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623656343 368992914 /nfs/dbraw/zinc/99/29/14/368992914.db2.gz SFHFTFUTXJPCJT-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)C[C@H]1CN ZINC000631838047 369114313 /nfs/dbraw/zinc/11/43/13/369114313.db2.gz YVLYQWMHUAAIBZ-VXGBXAGGSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)C[C@H]1CN ZINC000631838047 369114318 /nfs/dbraw/zinc/11/43/18/369114318.db2.gz YVLYQWMHUAAIBZ-VXGBXAGGSA-N 1 3 224.392 2.339 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795036 203373389 /nfs/dbraw/zinc/37/33/89/203373389.db2.gz XGVGBIPVMITCNQ-MQYQWHSLSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@H]1CCCNC1 ZINC000252135869 369999502 /nfs/dbraw/zinc/99/95/02/369999502.db2.gz LLZKBJNVLGPPPU-RDBSUJKOSA-N 1 3 224.392 2.402 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252860998 370136936 /nfs/dbraw/zinc/13/69/36/370136936.db2.gz NGDLLRXNSMOKIJ-UQOMUDLDSA-N 1 3 245.370 2.202 20 0 BEADHO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000253095951 370148391 /nfs/dbraw/zinc/14/83/91/370148391.db2.gz LESAHKZIPUPBGK-RQJABVFESA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000253095951 370148395 /nfs/dbraw/zinc/14/83/95/370148395.db2.gz LESAHKZIPUPBGK-RQJABVFESA-N 1 3 224.392 2.352 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000309635127 370237524 /nfs/dbraw/zinc/23/75/24/370237524.db2.gz MBNKKXNVLFCJNE-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000621384334 370328438 /nfs/dbraw/zinc/32/84/38/370328438.db2.gz CCIHNBZXGNMDBN-HOAMVYINSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCNC[C@H]1C ZINC000310484320 370348145 /nfs/dbraw/zinc/34/81/45/370348145.db2.gz DOKFLBYXWIJWGP-BZPMIXESSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000310484320 370348150 /nfs/dbraw/zinc/34/81/50/370348150.db2.gz DOKFLBYXWIJWGP-BZPMIXESSA-N 1 3 236.359 2.188 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCCCO1 ZINC000623849219 371123949 /nfs/dbraw/zinc/12/39/49/371123949.db2.gz ZNTBMMKWRHFQPK-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623849219 371123955 /nfs/dbraw/zinc/12/39/55/371123955.db2.gz ZNTBMMKWRHFQPK-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO COCCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120522 371321753 /nfs/dbraw/zinc/32/17/53/371321753.db2.gz BBUYNTLIEVKNJV-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123195 371324179 /nfs/dbraw/zinc/32/41/79/371324179.db2.gz HSICNQFWVAIFLH-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@@H]1C ZINC000624124119 371324762 /nfs/dbraw/zinc/32/47/62/371324762.db2.gz XTDSHSXYNFRKQQ-MQYQWHSLSA-N 1 3 224.392 2.352 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000631826998 372606392 /nfs/dbraw/zinc/60/63/92/372606392.db2.gz CCZNEMWSAILFQR-GHMZBOCLSA-N 1 3 246.345 2.400 20 0 BEADHO N[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000631829879 372612843 /nfs/dbraw/zinc/61/28/43/372612843.db2.gz CLTHGTRRPQQNHL-WOPDTQHZSA-N 1 3 244.329 2.235 20 0 BEADHO N[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000631829879 372612850 /nfs/dbraw/zinc/61/28/50/372612850.db2.gz CLTHGTRRPQQNHL-WOPDTQHZSA-N 1 3 244.329 2.235 20 0 BEADHO C[C@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C[NH3+] ZINC000631837293 372627069 /nfs/dbraw/zinc/62/70/69/372627069.db2.gz ADCWMLSDGJHGNN-BLLLJJGKSA-N 1 3 244.382 2.202 20 0 BEADHO C[C@H](c1cccc(F)c1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839371 372635519 /nfs/dbraw/zinc/63/55/19/372635519.db2.gz FPLXSOGBFIQVLW-NQBHXWOUSA-N 1 3 236.334 2.413 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](N)C[C@@H]2C)c(C)c1 ZINC000631863372 372666551 /nfs/dbraw/zinc/66/65/51/372666551.db2.gz ZQCDIEMGBPORTE-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](N)C[C@@H]2C)c(C)c1 ZINC000631863372 372666556 /nfs/dbraw/zinc/66/65/56/372666556.db2.gz ZQCDIEMGBPORTE-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1F ZINC000414794275 205772666 /nfs/dbraw/zinc/77/26/66/205772666.db2.gz LQNQHSNKWTVVHE-JSGCOSHPSA-N 1 3 236.334 2.351 20 0 BEADHO C(C1CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246433221 374260250 /nfs/dbraw/zinc/26/02/50/374260250.db2.gz CSKBTEYENJBTKP-UKRRQHHQSA-N 1 3 234.387 2.345 20 0 BEADHO C(C1CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246433221 374260257 /nfs/dbraw/zinc/26/02/57/374260257.db2.gz CSKBTEYENJBTKP-UKRRQHHQSA-N 1 3 234.387 2.345 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)c2ccccc21 ZINC000424378111 206040189 /nfs/dbraw/zinc/04/01/89/206040189.db2.gz SCQKFUVMMFOPEF-JHJVBQTASA-N 1 3 214.312 2.273 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000336668547 169078884 /nfs/dbraw/zinc/07/88/84/169078884.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336668547 169078886 /nfs/dbraw/zinc/07/88/86/169078886.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336668547 169078888 /nfs/dbraw/zinc/07/88/88/169078888.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336668547 169078889 /nfs/dbraw/zinc/07/88/89/169078889.db2.gz PCQOUJZYDNKCQT-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(CCC[NH3+])Cc1ccc(OC)cc1 ZINC000036731880 169156662 /nfs/dbraw/zinc/15/66/62/169156662.db2.gz WSAAODUQTBGADB-UHFFFAOYSA-N 1 3 236.359 2.256 20 0 BEADHO CCC[NH+]1CCC(NC[C@@H]2CC[C@H](C)O2)CC1 ZINC000127736229 169188692 /nfs/dbraw/zinc/18/86/92/169188692.db2.gz QCZCWZQDXBEGTJ-JSGCOSHPSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157450853 169198454 /nfs/dbraw/zinc/19/84/54/169198454.db2.gz BUYPMIVJFCUHGT-ZDUSSCGKSA-N 1 3 210.365 2.347 20 0 BEADHO c1cc(C[NH2+]C2CCCC2)cc2c1CNC2 ZINC000163474770 183368566 /nfs/dbraw/zinc/36/85/66/183368566.db2.gz UOISRMQVGPOQFC-UHFFFAOYSA-N 1 3 216.328 2.322 20 0 BEADHO c1ccc(CCN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000067674190 183393209 /nfs/dbraw/zinc/39/32/09/183393209.db2.gz CURGXZNSJBBSAH-INIZCTEOSA-N 1 3 244.382 2.305 20 0 BEADHO c1ccc(CC[N@@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000067674190 183393210 /nfs/dbraw/zinc/39/32/10/183393210.db2.gz CURGXZNSJBBSAH-INIZCTEOSA-N 1 3 244.382 2.305 20 0 BEADHO c1ccc(CC[N@H+]2CC[C@@]3(C2)CCCNC3)cc1 ZINC000067674190 183393212 /nfs/dbraw/zinc/39/32/12/183393212.db2.gz CURGXZNSJBBSAH-INIZCTEOSA-N 1 3 244.382 2.305 20 0 BEADHO CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250904672 169281586 /nfs/dbraw/zinc/28/15/86/169281586.db2.gz YJHUGCGXKOIEGL-YNEHKIRRSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062078118 169369494 /nfs/dbraw/zinc/36/94/94/169369494.db2.gz RGROBZWMNSNWSK-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](CNC1CC[NH+](C(C)C)CC1)OC ZINC000356340349 169384519 /nfs/dbraw/zinc/38/45/19/169384519.db2.gz SIXLECZAKKXXLW-AWEZNQCLSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000224982303 134352165 /nfs/dbraw/zinc/35/21/65/134352165.db2.gz IKGMGMPMCWKKNN-KGLIPLIRSA-N 1 3 242.407 2.299 20 0 BEADHO c1ccc2c(c1)CN(CC1CC[NH2+]CC1)C2 ZINC000000011385 383817999 /nfs/dbraw/zinc/81/79/99/383817999.db2.gz BHTNJHYCTNENRE-UHFFFAOYSA-N 1 3 216.328 2.002 20 0 BEADHO CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409439188 383848120 /nfs/dbraw/zinc/84/81/20/383848120.db2.gz QEWCPQVDZXGIBS-GJZGRUSLSA-N 1 3 230.355 2.070 20 0 BEADHO CC[C@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000309317077 383877465 /nfs/dbraw/zinc/87/74/65/383877465.db2.gz GGEQUFXQVFQHAZ-FPMFFAJLSA-N 1 3 218.344 2.130 20 0 BEADHO C[C@@H]1OCC[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119892574 383912354 /nfs/dbraw/zinc/91/23/54/383912354.db2.gz KZUBRNOTIIBNDQ-JQWIXIFHSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000119892574 383912361 /nfs/dbraw/zinc/91/23/61/383912361.db2.gz KZUBRNOTIIBNDQ-JQWIXIFHSA-N 1 3 240.391 2.063 20 0 BEADHO CN1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1 ZINC000643611333 383927899 /nfs/dbraw/zinc/92/78/99/383927899.db2.gz LOMROJZCUOHBLE-UHFFFAOYSA-N 1 3 230.315 2.069 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000309538850 383886455 /nfs/dbraw/zinc/88/64/55/383886455.db2.gz GAYVMJVQIPZADZ-LBPRGKRZSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccnc1 ZINC000037649302 383992217 /nfs/dbraw/zinc/99/22/17/383992217.db2.gz VAFQSEQIYZGGOX-OLZOCXBDSA-N 1 3 245.370 2.217 20 0 BEADHO C[C@H](C[NH2+]C1CCC(F)(F)CC1)CN(C)C ZINC000647212720 383957779 /nfs/dbraw/zinc/95/77/79/383957779.db2.gz SATUMDORJPBKBS-SNVBAGLBSA-N 1 3 234.334 2.352 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545971 384014882 /nfs/dbraw/zinc/01/48/82/384014882.db2.gz GOMWVZDBCXCGIX-STQMWFEESA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545969 384015276 /nfs/dbraw/zinc/01/52/76/384015276.db2.gz GOMWVZDBCXCGIX-OLZOCXBDSA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547196 384033644 /nfs/dbraw/zinc/03/36/44/384033644.db2.gz AYWABYHZASYTHH-RYUDHWBXSA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547197 384033889 /nfs/dbraw/zinc/03/38/89/384033889.db2.gz AYWABYHZASYTHH-VXGBXAGGSA-N 1 3 222.376 2.439 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564973522 384053180 /nfs/dbraw/zinc/05/31/80/384053180.db2.gz NRQKIIISPOKHPD-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564973522 384053188 /nfs/dbraw/zinc/05/31/88/384053188.db2.gz NRQKIIISPOKHPD-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]([NH2+]C1CCNCC1)c1cccs1 ZINC000038040744 384061108 /nfs/dbraw/zinc/06/11/08/384061108.db2.gz PEGRLPYBTMCTKY-SECBINFHSA-N 1 3 210.346 2.151 20 0 BEADHO Cn1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000091008636 384091963 /nfs/dbraw/zinc/09/19/63/384091963.db2.gz AQHLHQGLGNWDEL-UHFFFAOYSA-N 1 3 249.402 2.378 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000449175469 384165881 /nfs/dbraw/zinc/16/58/81/384165881.db2.gz RBXVBSOXGIOJPA-VOAKCMCISA-N 1 3 242.432 2.200 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000449175468 384166739 /nfs/dbraw/zinc/16/67/39/384166739.db2.gz RBXVBSOXGIOJPA-NDBYEHHHSA-N 1 3 242.432 2.200 20 0 BEADHO C(C1CCC1)[NH+]1CCC(N2CCCC2)CC1 ZINC000173538071 384236142 /nfs/dbraw/zinc/23/61/42/384236142.db2.gz BQZOYOFWORWYOU-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO C[C@@H]([NH2+]C1CC1)c1cccc(OCCN(C)C)c1 ZINC000132684219 384245060 /nfs/dbraw/zinc/24/50/60/384245060.db2.gz NGKDQFIHSWPDNA-GFCCVEGCSA-N 1 3 248.370 2.440 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000173886911 384277016 /nfs/dbraw/zinc/27/70/16/384277016.db2.gz MQJTXNBPBQAHRN-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000173886911 384277024 /nfs/dbraw/zinc/27/70/24/384277024.db2.gz MQJTXNBPBQAHRN-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccs3)C[C@H]21 ZINC000228537469 384274427 /nfs/dbraw/zinc/27/44/27/384274427.db2.gz FUMKYKSMYPIVMB-RAIGVLPGSA-N 1 3 236.384 2.307 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCCOC(C)C)C1 ZINC000173886895 384276657 /nfs/dbraw/zinc/27/66/57/384276657.db2.gz MQJTXNBPBQAHRN-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000173886895 384276661 /nfs/dbraw/zinc/27/66/61/384276661.db2.gz MQJTXNBPBQAHRN-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO Cc1csc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000335590659 384354577 /nfs/dbraw/zinc/35/45/77/384354577.db2.gz HKNBTPJABZZVMN-AAEUAGOBSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1csc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000335590659 384354580 /nfs/dbraw/zinc/35/45/80/384354580.db2.gz HKNBTPJABZZVMN-AAEUAGOBSA-N 1 3 238.400 2.486 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000084216791 384376538 /nfs/dbraw/zinc/37/65/38/384376538.db2.gz BPKXAXSPDWVTQP-RYUDHWBXSA-N 1 3 224.373 2.355 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccs1 ZINC000084215710 384376663 /nfs/dbraw/zinc/37/66/63/384376663.db2.gz BRXJBWRVKOKWHO-PWSUYJOCSA-N 1 3 224.373 2.355 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150803612 384514415 /nfs/dbraw/zinc/51/44/15/384514415.db2.gz SRAGEKSIUILWMI-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150803612 384514418 /nfs/dbraw/zinc/51/44/18/384514418.db2.gz SRAGEKSIUILWMI-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150803612 384514424 /nfs/dbraw/zinc/51/44/24/384514424.db2.gz SRAGEKSIUILWMI-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000449554448 384525986 /nfs/dbraw/zinc/52/59/86/384525986.db2.gz PIIFRJAQMODBHL-XQLPTFJDSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449554448 384525990 /nfs/dbraw/zinc/52/59/90/384525990.db2.gz PIIFRJAQMODBHL-XQLPTFJDSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449554448 384525992 /nfs/dbraw/zinc/52/59/92/384525992.db2.gz PIIFRJAQMODBHL-XQLPTFJDSA-N 1 3 236.403 2.495 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423081067 384551683 /nfs/dbraw/zinc/55/16/83/384551683.db2.gz AZUGCOSXVPOMGW-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000559108837 384558213 /nfs/dbraw/zinc/55/82/13/384558213.db2.gz OQDQODDYLTXFAP-AWEZNQCLSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000559108837 384558220 /nfs/dbraw/zinc/55/82/20/384558220.db2.gz OQDQODDYLTXFAP-AWEZNQCLSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000559108837 384558224 /nfs/dbraw/zinc/55/82/24/384558224.db2.gz OQDQODDYLTXFAP-AWEZNQCLSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000559108837 384558229 /nfs/dbraw/zinc/55/82/29/384558229.db2.gz OQDQODDYLTXFAP-AWEZNQCLSA-N 1 3 236.403 2.450 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000309728985 384559162 /nfs/dbraw/zinc/55/91/62/384559162.db2.gz ZABOWUIHRNPWNX-NEPJUHHUSA-N 1 3 242.432 2.344 20 0 BEADHO CCN(CC[C@@H]1CC[NH2+]C1)CCC(F)(F)F ZINC000643057514 384562151 /nfs/dbraw/zinc/56/21/51/384562151.db2.gz LREKDWNPPDKDJB-JTQLQIEISA-N 1 3 238.297 2.260 20 0 BEADHO C[NH2+]C[C@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000306049649 384567928 /nfs/dbraw/zinc/56/79/28/384567928.db2.gz VVGLVEWRQQBXLB-VXGBXAGGSA-N 1 3 246.345 2.353 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CCC12CCC2 ZINC000521025829 384608702 /nfs/dbraw/zinc/60/87/02/384608702.db2.gz SLKWROIEBDAGAQ-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CCC12CCC2 ZINC000521025829 384608706 /nfs/dbraw/zinc/60/87/06/384608706.db2.gz SLKWROIEBDAGAQ-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CN(CCC[NH3+])CCc1ccc(Cl)cc1 ZINC000049820587 384641211 /nfs/dbraw/zinc/64/12/11/384641211.db2.gz CPFCVWATEVLUAF-UHFFFAOYSA-N 1 3 226.751 2.163 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000086404360 384645959 /nfs/dbraw/zinc/64/59/59/384645959.db2.gz SMPRYMGHYAGJJI-WCFLWFBJSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cncc(F)c1 ZINC000271883889 384652961 /nfs/dbraw/zinc/65/29/61/384652961.db2.gz QDUNSTBJQADAAP-NSHDSACASA-N 1 3 249.333 2.133 20 0 BEADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cncc(F)c1 ZINC000271883889 384652971 /nfs/dbraw/zinc/65/29/71/384652971.db2.gz QDUNSTBJQADAAP-NSHDSACASA-N 1 3 249.333 2.133 20 0 BEADHO CC(C)CCOCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000104421451 384684183 /nfs/dbraw/zinc/68/41/83/384684183.db2.gz JTGRIYCOJRXFSV-ZIAGYGMSSA-N 1 3 242.407 2.108 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000126023095 384726315 /nfs/dbraw/zinc/72/63/15/384726315.db2.gz JHDLNWFINJHWCL-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ncc(CN2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000082475138 384686077 /nfs/dbraw/zinc/68/60/77/384686077.db2.gz XDFYAKPZMRYMLJ-SECBINFHSA-N 1 3 239.388 2.011 20 0 BEADHO FC1(F)CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000258899529 384688879 /nfs/dbraw/zinc/68/88/79/384688879.db2.gz OEIYWBBQTQFPKW-NSHDSACASA-N 1 3 232.318 2.107 20 0 BEADHO FC1(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647543746 384712620 /nfs/dbraw/zinc/71/26/20/384712620.db2.gz RPJHQPHJYKERLV-OLZOCXBDSA-N 1 3 240.366 2.200 20 0 BEADHO CC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125895387 384718341 /nfs/dbraw/zinc/71/83/41/384718341.db2.gz ZCIVWZNNYHPMRO-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](NC1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000335037245 384780711 /nfs/dbraw/zinc/78/07/11/384780711.db2.gz BSCWARQBJXOYQX-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]([NH2+]C1CCCCCC1)[C@H]1CCCN1 ZINC000335037245 384780717 /nfs/dbraw/zinc/78/07/17/384780717.db2.gz BSCWARQBJXOYQX-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423210431 384761563 /nfs/dbraw/zinc/76/15/63/384761563.db2.gz GHASCPWWXBKDCY-MQYQWHSLSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1C[NH2+]C[C@H](NCC2CCC(F)CC2)C1 ZINC000647553295 384769620 /nfs/dbraw/zinc/76/96/20/384769620.db2.gz QFZQPSFRGKIELP-IKWCTNDRSA-N 1 3 228.355 2.102 20 0 BEADHO CN(C[C@@H]1CCCC(F)(F)C1)C1CC([NH3+])C1 ZINC000336233396 384823459 /nfs/dbraw/zinc/82/34/59/384823459.db2.gz FTNBYQQWCOAXLT-KPPDAEKUSA-N 1 3 232.318 2.233 20 0 BEADHO CC(C)CCC[NH2+]C[C@H](C)CN(C)C ZINC000308592488 384835256 /nfs/dbraw/zinc/83/52/56/384835256.db2.gz WIMCZBGCQYXMGB-LBPRGKRZSA-N 1 3 200.370 2.210 20 0 BEADHO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000163276552 384783012 /nfs/dbraw/zinc/78/30/12/384783012.db2.gz TVZCUCTWOKOXMN-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@@H](COC)NC[C@@H]1CC[N@H+](CC)C1 ZINC000163276552 384783021 /nfs/dbraw/zinc/78/30/21/384783021.db2.gz TVZCUCTWOKOXMN-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@@H](COC)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000163276552 384783031 /nfs/dbraw/zinc/78/30/31/384783031.db2.gz TVZCUCTWOKOXMN-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000423360603 384836041 /nfs/dbraw/zinc/83/60/41/384836041.db2.gz FWOKTAAENASYJF-XJFOESAGSA-N 1 3 222.376 2.425 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C(C)(C)C)CN(C)C ZINC000308645537 384885047 /nfs/dbraw/zinc/88/50/47/384885047.db2.gz HJJUQGCDDDEWEE-GHMZBOCLSA-N 1 3 200.370 2.208 20 0 BEADHO Cc1cncc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423373474 384847716 /nfs/dbraw/zinc/84/77/16/384847716.db2.gz HMDAPCYOVQKEBV-UBHSHLNASA-N 1 3 233.359 2.311 20 0 BEADHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423388127 384853555 /nfs/dbraw/zinc/85/35/55/384853555.db2.gz TUSPGBCJOHOJBW-LPWJVIDDSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000423409069 384856464 /nfs/dbraw/zinc/85/64/64/384856464.db2.gz YMOGHPJDXQAMEX-CYDGBPFRSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CO[C@H](C)C1)N1CCCCC1 ZINC000647201083 384888995 /nfs/dbraw/zinc/88/89/95/384888995.db2.gz ZUDQYYNJNXVMLR-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO COc1ccc(CCN2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707593 384898137 /nfs/dbraw/zinc/89/81/37/384898137.db2.gz XRWCGEOGVYZXEM-GXTWGEPZSA-N 1 3 248.370 2.049 20 0 BEADHO CCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127651105 384912594 /nfs/dbraw/zinc/91/25/94/384912594.db2.gz RQWSTZLWMOGRNF-QWHCGFSZSA-N 1 3 210.365 2.393 20 0 BEADHO CCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127651105 384912597 /nfs/dbraw/zinc/91/25/97/384912597.db2.gz RQWSTZLWMOGRNF-QWHCGFSZSA-N 1 3 210.365 2.393 20 0 BEADHO CCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000127651105 384912599 /nfs/dbraw/zinc/91/25/99/384912599.db2.gz RQWSTZLWMOGRNF-QWHCGFSZSA-N 1 3 210.365 2.393 20 0 BEADHO COc1ccc(C)cc1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000259239212 384959607 /nfs/dbraw/zinc/95/96/07/384959607.db2.gz YHQADCDHTLTGKP-KBPBESRZSA-N 1 3 248.370 2.016 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000258762644 384941416 /nfs/dbraw/zinc/94/14/16/384941416.db2.gz APVWJUVHYOFJAC-KBPBESRZSA-N 1 3 232.371 2.434 20 0 BEADHO CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000258900912 384944568 /nfs/dbraw/zinc/94/45/68/384944568.db2.gz HRLDCKJGXCJPTA-QWHCGFSZSA-N 1 3 236.384 2.378 20 0 BEADHO C[C@@H](Cc1ccsc1)NC[C@@H]1CCC[NH2+]C1 ZINC000087646879 384984036 /nfs/dbraw/zinc/98/40/36/384984036.db2.gz NATMZGHGHRGXAB-WCQYABFASA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCNC1 ZINC000087646879 384984043 /nfs/dbraw/zinc/98/40/43/384984043.db2.gz NATMZGHGHRGXAB-WCQYABFASA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H]([NH2+]C1CCCCC1)[C@@H]1CCCNC1 ZINC000129792057 385013794 /nfs/dbraw/zinc/01/37/94/385013794.db2.gz QZAHXWCKDGAGDS-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CCN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334141479 385028625 /nfs/dbraw/zinc/02/86/25/385028625.db2.gz HMNOKLIRGOARLQ-HOTGVXAUSA-N 1 3 244.382 2.079 20 0 BEADHO CN(C)CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000151941190 385143157 /nfs/dbraw/zinc/14/31/57/385143157.db2.gz GZVORDZBWYKYQX-AWEZNQCLSA-N 1 3 248.370 2.442 20 0 BEADHO CC(C)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157359391 385151383 /nfs/dbraw/zinc/15/13/83/385151383.db2.gz YLZGDSMJXRPIBA-CYBMUJFWSA-N 1 3 210.365 2.345 20 0 BEADHO CC(C)[N@@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000157359391 385151390 /nfs/dbraw/zinc/15/13/90/385151390.db2.gz YLZGDSMJXRPIBA-CYBMUJFWSA-N 1 3 210.365 2.345 20 0 BEADHO CC(C)[N@H+]1CCC[C@@H](N2CCCC2)CC1 ZINC000157359391 385151398 /nfs/dbraw/zinc/15/13/98/385151398.db2.gz YLZGDSMJXRPIBA-CYBMUJFWSA-N 1 3 210.365 2.345 20 0 BEADHO CC1(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479732 385157050 /nfs/dbraw/zinc/15/70/50/385157050.db2.gz RLARNLZFIJOVHU-CHWSQXEVSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CS1 ZINC000157366237 385159440 /nfs/dbraw/zinc/15/94/40/385159440.db2.gz WTPMYMMZSMBWGU-FVCCEPFGSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000157366237 385159443 /nfs/dbraw/zinc/15/94/43/385159443.db2.gz WTPMYMMZSMBWGU-FVCCEPFGSA-N 1 3 240.416 2.097 20 0 BEADHO CC(C)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000308847267 385206362 /nfs/dbraw/zinc/20/63/62/385206362.db2.gz MSLXNILSRRBTSF-LBPRGKRZSA-N 1 3 210.365 2.273 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000300988784 385222133 /nfs/dbraw/zinc/22/21/33/385222133.db2.gz VEXJHFDRUGUPBX-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000300988784 385222142 /nfs/dbraw/zinc/22/21/42/385222142.db2.gz VEXJHFDRUGUPBX-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]([NH2+]CCN)c1ccccc1C(F)(F)F ZINC000037712375 385265875 /nfs/dbraw/zinc/26/58/75/385265875.db2.gz WWXBJNAVBPNOJT-MRVPVSSYSA-N 1 3 232.249 2.315 20 0 BEADHO CC(C)(C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000647490637 385281900 /nfs/dbraw/zinc/28/19/00/385281900.db2.gz FSMZCQTZCMQCDG-CYBMUJFWSA-N 1 3 232.371 2.245 20 0 BEADHO CC(C)(C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000647490637 385281908 /nfs/dbraw/zinc/28/19/08/385281908.db2.gz FSMZCQTZCMQCDG-CYBMUJFWSA-N 1 3 232.371 2.245 20 0 BEADHO CC(C)(CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000647490637 385281917 /nfs/dbraw/zinc/28/19/17/385281917.db2.gz FSMZCQTZCMQCDG-CYBMUJFWSA-N 1 3 232.371 2.245 20 0 BEADHO CC(C)C[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000307808753 385288186 /nfs/dbraw/zinc/28/81/86/385288186.db2.gz MTJVPLFJLWRXMS-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000307808753 385288191 /nfs/dbraw/zinc/28/81/91/385288191.db2.gz MTJVPLFJLWRXMS-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CCC1CC([NH2+]CCCN(CC)CC)C1 ZINC000308944675 385301226 /nfs/dbraw/zinc/30/12/26/385301226.db2.gz NIXWWYFVFTXFDJ-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CCC1 ZINC000308996569 385338346 /nfs/dbraw/zinc/33/83/46/385338346.db2.gz MRPNRLOBOUUNFV-NSHDSACASA-N 1 3 208.349 2.027 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCSC)[C@H](C)C1 ZINC000178978713 385354973 /nfs/dbraw/zinc/35/49/73/385354973.db2.gz MGALPTRIMWGCIE-VXGBXAGGSA-N 1 3 230.421 2.012 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCSC)[C@H](C)C1 ZINC000178978713 385354975 /nfs/dbraw/zinc/35/49/75/385354975.db2.gz MGALPTRIMWGCIE-VXGBXAGGSA-N 1 3 230.421 2.012 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000228204690 385362239 /nfs/dbraw/zinc/36/22/39/385362239.db2.gz ZPZHCIHRZUVCFQ-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO C[C@@H]1C[C@H](NCCc2ccccc2O)CC[N@@H+]1C ZINC000154919964 385364910 /nfs/dbraw/zinc/36/49/10/385364910.db2.gz IHAAYCHBXCUWIN-TZMCWYRMSA-N 1 3 248.370 2.007 20 0 BEADHO C[C@@H]1C[C@H](NCCc2ccccc2O)CC[N@H+]1C ZINC000154919964 385364913 /nfs/dbraw/zinc/36/49/13/385364913.db2.gz IHAAYCHBXCUWIN-TZMCWYRMSA-N 1 3 248.370 2.007 20 0 BEADHO Cc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000309013155 385368773 /nfs/dbraw/zinc/36/87/73/385368773.db2.gz YDOGSQURYXDPBO-VXGBXAGGSA-N 1 3 206.333 2.240 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(C)(C)C ZINC000179470071 385377360 /nfs/dbraw/zinc/37/73/60/385377360.db2.gz NUWWEYNZAVGDQA-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CN)C[C@H]2C)c1 ZINC000228078923 385326613 /nfs/dbraw/zinc/32/66/13/385326613.db2.gz DJCRXGQGHNOFAK-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CN)C[C@H]2C)c1 ZINC000228078923 385326618 /nfs/dbraw/zinc/32/66/18/385326618.db2.gz DJCRXGQGHNOFAK-ZIAGYGMSSA-N 1 3 232.371 2.473 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000319502734 385424878 /nfs/dbraw/zinc/42/48/78/385424878.db2.gz JEDBJFRVNMTNAK-RYUDHWBXSA-N 1 3 210.365 2.295 20 0 BEADHO CCN(CCC[NH+]1CCCCC1)C1CC1 ZINC000193469852 385398255 /nfs/dbraw/zinc/39/82/55/385398255.db2.gz LGKYPDRPRPVXCL-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO CC[C@@](C)(C[NH2+]C[C@H](C)CN1CCCC1)OC ZINC000319536616 385441112 /nfs/dbraw/zinc/44/11/12/385441112.db2.gz AXNBFQLWKBSQPC-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@@](C)(CNC[C@H](C)C[NH+]1CCCC1)OC ZINC000319536616 385441116 /nfs/dbraw/zinc/44/11/16/385441116.db2.gz AXNBFQLWKBSQPC-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000309274946 385508064 /nfs/dbraw/zinc/50/80/64/385508064.db2.gz DRGKZJLJNPHTHH-BBBLOLIVSA-N 1 3 238.297 2.292 20 0 BEADHO COC(C)(C)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000302510578 385535166 /nfs/dbraw/zinc/53/51/66/385535166.db2.gz VCUVECROUXEYJS-YNEHKIRRSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000302510578 385535168 /nfs/dbraw/zinc/53/51/68/385535168.db2.gz VCUVECROUXEYJS-YNEHKIRRSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)CC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000106869002 385536620 /nfs/dbraw/zinc/53/66/20/385536620.db2.gz CFDIWLMPNAIRDQ-QWHCGFSZSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869002 385536622 /nfs/dbraw/zinc/53/66/22/385536622.db2.gz CFDIWLMPNAIRDQ-QWHCGFSZSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869002 385536624 /nfs/dbraw/zinc/53/66/24/385536624.db2.gz CFDIWLMPNAIRDQ-QWHCGFSZSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCCc2ccccc21 ZINC000309338807 385538648 /nfs/dbraw/zinc/53/86/48/385538648.db2.gz KOJPZVQLOAFOAC-RISCZKNCSA-N 1 3 218.344 2.248 20 0 BEADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)CN1CCCC1 ZINC000309346836 385546337 /nfs/dbraw/zinc/54/63/37/385546337.db2.gz MJJFXJNICYTMFC-YIYPIFLZSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H](CCCC[NH3+])NCc1ccccc1F ZINC000309378946 385557992 /nfs/dbraw/zinc/55/79/92/385557992.db2.gz QQLNOZIJASCEJR-LLVKDONJSA-N 1 3 224.323 2.433 20 0 BEADHO CNC[C@H](C)C[NH2+]C1CCC(C)(C)CC1 ZINC000414847942 385603737 /nfs/dbraw/zinc/60/37/37/385603737.db2.gz WLZLWKVTEVVJFC-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO CCSCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397298433 385587148 /nfs/dbraw/zinc/58/71/48/385587148.db2.gz CLOHBHRCMMEOEC-WOPDTQHZSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397298433 385587152 /nfs/dbraw/zinc/58/71/52/385587152.db2.gz CLOHBHRCMMEOEC-WOPDTQHZSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397298433 385587154 /nfs/dbraw/zinc/58/71/54/385587154.db2.gz CLOHBHRCMMEOEC-WOPDTQHZSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C1CC(N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000335174029 385591909 /nfs/dbraw/zinc/59/19/09/385591909.db2.gz MUCMFTKQRGXWPY-YWPUVAFDSA-N 1 3 210.365 2.009 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000309505141 385642857 /nfs/dbraw/zinc/64/28/57/385642857.db2.gz MVPOZFQZYKWCAB-YVECIDJPSA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309505141 385642864 /nfs/dbraw/zinc/64/28/64/385642864.db2.gz MVPOZFQZYKWCAB-YVECIDJPSA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000309505141 385642872 /nfs/dbraw/zinc/64/28/72/385642872.db2.gz MVPOZFQZYKWCAB-YVECIDJPSA-N 1 3 226.339 2.093 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000337499540 385692723 /nfs/dbraw/zinc/69/27/23/385692723.db2.gz ZWSMXLUAFGRHPV-RRFJBIMHSA-N 1 3 234.387 2.417 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCN)C[C@H]1C ZINC000336688774 385706588 /nfs/dbraw/zinc/70/65/88/385706588.db2.gz VUZUNMYFUOZYDT-UPJWGTAASA-N 1 3 212.381 2.386 20 0 BEADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCNC1 ZINC000414856188 385709622 /nfs/dbraw/zinc/70/96/22/385709622.db2.gz OASNXIBQYITESJ-STQMWFEESA-N 1 3 212.381 2.258 20 0 BEADHO CNCCC[NH2+]CC1CCC(C)(C)CC1 ZINC000414856457 385711506 /nfs/dbraw/zinc/71/15/06/385711506.db2.gz AHIURAFUARIPSD-UHFFFAOYSA-N 1 3 212.381 2.402 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc(OC)cc1 ZINC000336691946 385730732 /nfs/dbraw/zinc/73/07/32/385730732.db2.gz HPPLNZMQDDLCJW-RISCZKNCSA-N 1 3 236.359 2.331 20 0 BEADHO Cc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414857825 385732831 /nfs/dbraw/zinc/73/28/31/385732831.db2.gz QHCKKUWBHDJRTF-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO CNCCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000414858610 385736558 /nfs/dbraw/zinc/73/65/58/385736558.db2.gz KGOCQTNNOCADSX-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO C[NH2+]CCCN[C@H](C)CCc1ccc(F)cc1 ZINC000414858610 385736560 /nfs/dbraw/zinc/73/65/60/385736560.db2.gz KGOCQTNNOCADSX-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414861319 385750180 /nfs/dbraw/zinc/75/01/80/385750180.db2.gz RWOKNLHQRGNTDE-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO C([NH2+][C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000414863896 385760643 /nfs/dbraw/zinc/76/06/43/385760643.db2.gz YKTLSCUCRXOUMG-KWCYVHTRSA-N 1 3 222.376 2.154 20 0 BEADHO CNCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000414864530 385764165 /nfs/dbraw/zinc/76/41/65/385764165.db2.gz ZJQCHLXNUPZNCA-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH2+]CCNC[C@H](C)CC1CCOCC1 ZINC000414864553 385764883 /nfs/dbraw/zinc/76/48/83/385764883.db2.gz CWRQGFPJZFYKIS-CYBMUJFWSA-N 1 3 242.407 2.028 20 0 BEADHO c1ccc(OCCCCC[NH2+][C@H]2CCNC2)cc1 ZINC000414864235 385766065 /nfs/dbraw/zinc/76/60/65/385766065.db2.gz BPLZNEAZIJWHOV-AWEZNQCLSA-N 1 3 248.370 2.187 20 0 BEADHO C[C@H](CCCC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000414865316 385768142 /nfs/dbraw/zinc/76/81/42/385768142.db2.gz KPRAEVRKSKRUPO-NXEZZACHSA-N 1 3 238.297 2.449 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)C[C@H]1C ZINC000414865520 385768431 /nfs/dbraw/zinc/76/84/31/385768431.db2.gz DALAORDJZASFSE-RFGFWPKPSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)C[C@@H]1C ZINC000414865522 385768557 /nfs/dbraw/zinc/76/85/57/385768557.db2.gz DALAORDJZASFSE-XUXIUFHCSA-N 1 3 224.392 2.399 20 0 BEADHO CCOc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336705563 385787879 /nfs/dbraw/zinc/78/78/79/385787879.db2.gz LCOPWXNACSVPQR-VXGBXAGGSA-N 1 3 236.359 2.331 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000336711668 385799611 /nfs/dbraw/zinc/79/96/11/385799611.db2.gz UNVDTPIAWDIJFD-JHJVBQTASA-N 1 3 212.381 2.351 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414948671 385810259 /nfs/dbraw/zinc/81/02/59/385810259.db2.gz MNMLGEDEPBQZFQ-LOWVWBTDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CCCC1)CN(C)C ZINC000336714662 385812338 /nfs/dbraw/zinc/81/23/38/385812338.db2.gz WCAJIDMFQVVTJW-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO CCC[NH2+]CCNC[C@@H]1CCCC[C@@H]1C ZINC000414868194 385814321 /nfs/dbraw/zinc/81/43/21/385814321.db2.gz JPZJPBUPOPFFFN-STQMWFEESA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000414950314 385816948 /nfs/dbraw/zinc/81/69/48/385816948.db2.gz OJRMLVOIYNRJNN-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414955465 385836636 /nfs/dbraw/zinc/83/66/36/385836636.db2.gz UHYKELUTEWLRJY-BBBLOLIVSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1CCC(F)CC1 ZINC000647804256 385840249 /nfs/dbraw/zinc/84/02/49/385840249.db2.gz MWCVXOWILPGAQL-DMOGRIERSA-N 1 3 216.344 2.230 20 0 BEADHO C[C@@H]([NH2+]CC1CCC(F)CC1)[C@H]1CCCN1 ZINC000647804260 385840465 /nfs/dbraw/zinc/84/04/65/385840465.db2.gz MXEYPLSZVRMUNS-IKWCTNDRSA-N 1 3 228.355 2.245 20 0 BEADHO c1ccc(OCCCCN[C@H]2CCC[NH2+]C2)cc1 ZINC000414869763 385843679 /nfs/dbraw/zinc/84/36/79/385843679.db2.gz RRFWJBMHCKCXON-AWEZNQCLSA-N 1 3 248.370 2.187 20 0 BEADHO CCC[NH2+]CCN[C@H]1CCC[C@H]1C1CC1 ZINC000414875627 385897286 /nfs/dbraw/zinc/89/72/86/385897286.db2.gz UYHBZNKAQWUSQI-STQMWFEESA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414964271 385904109 /nfs/dbraw/zinc/90/41/09/385904109.db2.gz UQGMCOZCQFWLTN-RDYIKARRSA-N 1 3 248.345 2.427 20 0 BEADHO FC1(F)CC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000334492160 385909076 /nfs/dbraw/zinc/90/90/76/385909076.db2.gz FCEYWOREDMHCNS-VXGBXAGGSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000334492160 385909082 /nfs/dbraw/zinc/90/90/82/385909082.db2.gz FCEYWOREDMHCNS-VXGBXAGGSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000334492160 385909087 /nfs/dbraw/zinc/90/90/87/385909087.db2.gz FCEYWOREDMHCNS-VXGBXAGGSA-N 1 3 244.329 2.248 20 0 BEADHO CCC[NH2+]CCN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000414872395 385865682 /nfs/dbraw/zinc/86/56/82/385865682.db2.gz PVSDKGCBGAOZFQ-ITGUQSILSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)OCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647815100 385868218 /nfs/dbraw/zinc/86/82/18/385868218.db2.gz PBDNZNOTXZTCPC-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000414872896 385871362 /nfs/dbraw/zinc/87/13/62/385871362.db2.gz GMSYFQZRABWBKM-GRYCIOLGSA-N 1 3 212.381 2.386 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000338365492 385980567 /nfs/dbraw/zinc/98/05/67/385980567.db2.gz RRRZLWMSCZNAFB-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000338365492 385980571 /nfs/dbraw/zinc/98/05/71/385980571.db2.gz RRRZLWMSCZNAFB-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000335040561 385932586 /nfs/dbraw/zinc/93/25/86/385932586.db2.gz RPZIPYQOJUHAIK-RYUDHWBXSA-N 1 3 224.373 2.498 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000335044244 385938599 /nfs/dbraw/zinc/93/85/99/385938599.db2.gz XWUARBRLFUUIBF-MLGOLLRUSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC1Cc2ccccc2C1 ZINC000335044244 385938606 /nfs/dbraw/zinc/93/86/06/385938606.db2.gz XWUARBRLFUUIBF-MLGOLLRUSA-N 1 3 244.382 2.132 20 0 BEADHO Cc1ccccc1C[C@H](C)NCC1([NH3+])CCC1 ZINC000414878710 385941299 /nfs/dbraw/zinc/94/12/99/385941299.db2.gz ORMIIWJCSBAXOB-ZDUSSCGKSA-N 1 3 232.371 2.397 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)CN ZINC000414879111 385945720 /nfs/dbraw/zinc/94/57/20/385945720.db2.gz PCGDSXCIRFPUNY-QJPTWQEYSA-N 1 3 200.370 2.386 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000338305348 385952017 /nfs/dbraw/zinc/95/20/17/385952017.db2.gz KIDHSIWIIFOLOH-BETUJISGSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000338305348 385952024 /nfs/dbraw/zinc/95/20/24/385952024.db2.gz KIDHSIWIIFOLOH-BETUJISGSA-N 1 3 212.381 2.306 20 0 BEADHO CC[NH+](CC)CCCN1C[C@H](C)[C@H](C)C1 ZINC000338305348 385952026 /nfs/dbraw/zinc/95/20/26/385952026.db2.gz KIDHSIWIIFOLOH-BETUJISGSA-N 1 3 212.381 2.306 20 0 BEADHO Cc1cc(CNC[C@H](C)C[NH3+])cc2cccnc12 ZINC000414879968 385960623 /nfs/dbraw/zinc/96/06/23/385960623.db2.gz QCJAHYLHJFRDFN-LLVKDONJSA-N 1 3 243.354 2.228 20 0 BEADHO CC[C@@H](C[NH2+]C[C@@H](C)CN)c1ccccc1 ZINC000414879995 385963111 /nfs/dbraw/zinc/96/31/11/385963111.db2.gz QFOWJKLSJZRESR-STQMWFEESA-N 1 3 220.360 2.365 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013704 385970939 /nfs/dbraw/zinc/97/09/39/385970939.db2.gz OCMALXNFXVIBKP-UKRRQHHQSA-N 1 3 245.370 2.014 20 0 BEADHO CCCc1cccc(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000414881950 386009106 /nfs/dbraw/zinc/00/91/06/386009106.db2.gz BEXYMPTZLPDKRD-HNNXBMFYSA-N 1 3 232.371 2.466 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)CN ZINC000414882296 386011994 /nfs/dbraw/zinc/01/19/94/386011994.db2.gz TXWAMIURNVDRHG-DTWKUNHWSA-N 1 3 226.286 2.292 20 0 BEADHO Cc1cc(C[NH2+]CC2(N)CCC2)ccc1F ZINC000414882980 386022575 /nfs/dbraw/zinc/02/25/75/386022575.db2.gz MMJUJVWSHSSPKH-UHFFFAOYSA-N 1 3 222.307 2.105 20 0 BEADHO c1cc(C[NH2+]C2CCSCC2)cc2c1CNC2 ZINC000335064510 386034595 /nfs/dbraw/zinc/03/45/95/386034595.db2.gz SUYHBZITYRMLIZ-UHFFFAOYSA-N 1 3 248.395 2.275 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2ncccc2c1 ZINC000414977665 386037854 /nfs/dbraw/zinc/03/78/54/386037854.db2.gz KIEPKPHQJSCWHZ-ZDUSSCGKSA-N 1 3 229.327 2.062 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2ncccc2c1 ZINC000414977664 386038005 /nfs/dbraw/zinc/03/80/05/386038005.db2.gz KIEPKPHQJSCWHZ-CYBMUJFWSA-N 1 3 229.327 2.062 20 0 BEADHO Cc1sccc1C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000295476780 386040447 /nfs/dbraw/zinc/04/04/47/386040447.db2.gz WXYGNXCOEWHFGO-LBPRGKRZSA-N 1 3 238.400 2.440 20 0 BEADHO Cc1sccc1C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000295476780 386040456 /nfs/dbraw/zinc/04/04/56/386040456.db2.gz WXYGNXCOEWHFGO-LBPRGKRZSA-N 1 3 238.400 2.440 20 0 BEADHO Cc1sccc1C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000295476775 386040807 /nfs/dbraw/zinc/04/08/07/386040807.db2.gz WXYGNXCOEWHFGO-GFCCVEGCSA-N 1 3 238.400 2.440 20 0 BEADHO Cc1sccc1C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000295476775 386040814 /nfs/dbraw/zinc/04/08/14/386040814.db2.gz WXYGNXCOEWHFGO-GFCCVEGCSA-N 1 3 238.400 2.440 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000414986066 386101205 /nfs/dbraw/zinc/10/12/05/386101205.db2.gz WXZMUTJMOGIIII-NSHDSACASA-N 1 3 226.751 2.475 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000075994429 386107638 /nfs/dbraw/zinc/10/76/38/386107638.db2.gz YJWIRUBFRWBOLU-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000075994429 386107642 /nfs/dbraw/zinc/10/76/42/386107642.db2.gz YJWIRUBFRWBOLU-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CCc1ccccc1 ZINC000075994429 386107652 /nfs/dbraw/zinc/10/76/52/386107652.db2.gz YJWIRUBFRWBOLU-OAHLLOKOSA-N 1 3 232.371 2.432 20 0 BEADHO C1=C(CC[NH2+]C2CCNCC2)CCCC1 ZINC000038040616 386118897 /nfs/dbraw/zinc/11/88/97/386118897.db2.gz HBKOJUMIQRJJFB-UHFFFAOYSA-N 1 3 208.349 2.219 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 ZINC000414886760 386076719 /nfs/dbraw/zinc/07/67/19/386076719.db2.gz QLCFCVGOBWXTGT-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCNC2)cc1 ZINC000414886752 386077295 /nfs/dbraw/zinc/07/72/95/386077295.db2.gz QKVRXHYFZWJNQZ-XHSDSOJGSA-N 1 3 244.382 2.349 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414984521 386096235 /nfs/dbraw/zinc/09/62/35/386096235.db2.gz UXTMLCPJWVWOGK-SCOBNMCVSA-N 1 3 222.307 2.166 20 0 BEADHO CCN(Cc1ccccc1C)C[C@H]1CC[NH2+]C1 ZINC000647877335 386147379 /nfs/dbraw/zinc/14/73/79/386147379.db2.gz NZWYNFBCZCQPTQ-AWEZNQCLSA-N 1 3 232.371 2.426 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCNC1 ZINC000414892269 386150691 /nfs/dbraw/zinc/15/06/91/386150691.db2.gz XTTFRFQIQSMPEX-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCNC1 ZINC000414892768 386151938 /nfs/dbraw/zinc/15/19/38/386151938.db2.gz YIYUXJRZJZTJPX-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO CCC1(C)CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000414892711 386152776 /nfs/dbraw/zinc/15/27/76/386152776.db2.gz YDPFPTUHOOUCNR-OTTFEQOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CC[NH3+])NC/C=C\c1ccc(F)cc1 ZINC000414892671 386153568 /nfs/dbraw/zinc/15/35/68/386153568.db2.gz XHURBMVZEPANCK-OTDNITJGSA-N 1 3 222.307 2.166 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccccc1 ZINC000414991457 386153829 /nfs/dbraw/zinc/15/38/29/386153829.db2.gz QEOSIJQXMGQFDR-GXTWGEPZSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H]([NH3+])CNC[C@@H](C)c1ccccc1 ZINC000414991467 386153930 /nfs/dbraw/zinc/15/39/30/386153930.db2.gz QEZBNIRZFQQXGO-DGCLKSJQSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@@H](CC[NH3+])NC/C=C/c1ccc(F)cc1 ZINC000414892673 386154391 /nfs/dbraw/zinc/15/43/91/386154391.db2.gz XHURBMVZEPANCK-VUDBWIFFSA-N 1 3 222.307 2.166 20 0 BEADHO Cc1cccc([C@H]2CCCN2CCC[NH3+])c1 ZINC000414681602 386164211 /nfs/dbraw/zinc/16/42/11/386164211.db2.gz WCGKQCSRCIJTEW-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1cccc([C@H]2CCC[N@@H+]2CCCN)c1 ZINC000414681602 386164217 /nfs/dbraw/zinc/16/42/17/386164217.db2.gz WCGKQCSRCIJTEW-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1cccc([C@H]2CCC[N@H+]2CCCN)c1 ZINC000414681602 386164220 /nfs/dbraw/zinc/16/42/20/386164220.db2.gz WCGKQCSRCIJTEW-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1cccc(C)c1C[NH2+]C[C@@H](N)C1CC1 ZINC000414894942 386179476 /nfs/dbraw/zinc/17/94/76/386179476.db2.gz MBXWUSAERWKNLE-CQSZACIVSA-N 1 3 218.344 2.130 20 0 BEADHO CC[C@H](Cc1ccccc1)NC[C@@H]([NH3+])CC ZINC000414995785 386180069 /nfs/dbraw/zinc/18/00/69/386180069.db2.gz WSGKXSGXMCRONP-UONOGXRCSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@H](Cc1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000414895010 386180665 /nfs/dbraw/zinc/18/06/65/386180665.db2.gz VBJWFGSKNJLEQP-CABCVRRESA-N 1 3 232.371 2.335 20 0 BEADHO [NH3+]CCCN1CCC(COc2ccccc2)CC1 ZINC000414691488 386187296 /nfs/dbraw/zinc/18/72/96/386187296.db2.gz ORNLWWUNKJKDJZ-UHFFFAOYSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344286 386134580 /nfs/dbraw/zinc/13/45/80/386134580.db2.gz ROZOWDLSTJMVRP-FDYHWXHSSA-N 1 3 234.343 2.065 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344286 386134587 /nfs/dbraw/zinc/13/45/87/386134587.db2.gz ROZOWDLSTJMVRP-FDYHWXHSSA-N 1 3 234.343 2.065 20 0 BEADHO CC(C)CCC1CCN(CCC[NH3+])CC1 ZINC000414701386 386204622 /nfs/dbraw/zinc/20/46/22/386204622.db2.gz HAHQMKIFCAYCOY-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO CCCC[N@H+](CCOC)C[C@H](N)CC(C)C ZINC000414700577 386208270 /nfs/dbraw/zinc/20/82/70/386208270.db2.gz TWRQWCZTUGHAKT-CYBMUJFWSA-N 1 3 230.396 2.108 20 0 BEADHO CCCC[N@@H+](CCOC)C[C@H](N)CC(C)C ZINC000414700577 386208273 /nfs/dbraw/zinc/20/82/73/386208273.db2.gz TWRQWCZTUGHAKT-CYBMUJFWSA-N 1 3 230.396 2.108 20 0 BEADHO C[C@@H](CCN)[NH2+]CCSCc1ccccc1 ZINC000414896990 386210233 /nfs/dbraw/zinc/21/02/33/386210233.db2.gz QNAYMTQRZFWPCM-LBPRGKRZSA-N 1 3 238.400 2.247 20 0 BEADHO C[C@@H](CC[NH3+])NCCSCc1ccccc1 ZINC000414896990 386210237 /nfs/dbraw/zinc/21/02/37/386210237.db2.gz QNAYMTQRZFWPCM-LBPRGKRZSA-N 1 3 238.400 2.247 20 0 BEADHO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCN ZINC000414707046 386216318 /nfs/dbraw/zinc/21/63/18/386216318.db2.gz NJOIFMFQZSCKFU-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCN ZINC000414707046 386216320 /nfs/dbraw/zinc/21/63/20/386216320.db2.gz NJOIFMFQZSCKFU-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1[C@H](c2ccccc2)CCN1CCC[NH3+] ZINC000414707046 386216321 /nfs/dbraw/zinc/21/63/21/386216321.db2.gz NJOIFMFQZSCKFU-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCC[NH3+] ZINC000414707112 386216986 /nfs/dbraw/zinc/21/69/86/386216986.db2.gz PBKJOHPPOVUFOY-DGCLKSJQSA-N 1 3 236.334 2.352 20 0 BEADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCN ZINC000414707112 386216988 /nfs/dbraw/zinc/21/69/88/386216988.db2.gz PBKJOHPPOVUFOY-DGCLKSJQSA-N 1 3 236.334 2.352 20 0 BEADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCCN ZINC000414707112 386216993 /nfs/dbraw/zinc/21/69/93/386216993.db2.gz PBKJOHPPOVUFOY-DGCLKSJQSA-N 1 3 236.334 2.352 20 0 BEADHO CCN(CC)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131887150 386227288 /nfs/dbraw/zinc/22/72/88/386227288.db2.gz LUKPNPRVMJHJRW-CABCVRRESA-N 1 3 247.386 2.063 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000340562108 386228351 /nfs/dbraw/zinc/22/83/51/386228351.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000340562108 386228357 /nfs/dbraw/zinc/22/83/57/386228357.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CC2(SC)CC2)C1 ZINC000340562108 386228361 /nfs/dbraw/zinc/22/83/61/386228361.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(SC)CC2)C1 ZINC000340562108 386228366 /nfs/dbraw/zinc/22/83/66/386228366.db2.gz VIGRFMFMEPCOIS-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO CCCc1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000414898762 386233154 /nfs/dbraw/zinc/23/31/54/386233154.db2.gz TYNQENSRUYTFCE-GFCCVEGCSA-N 1 3 220.360 2.466 20 0 BEADHO CCCC[C@H](COC)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414899524 386247412 /nfs/dbraw/zinc/24/74/12/386247412.db2.gz CLMDUZITDAASCT-KGLIPLIRSA-N 1 3 242.407 2.171 20 0 BEADHO CCCC[C@H](COC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414899524 386247417 /nfs/dbraw/zinc/24/74/17/386247417.db2.gz CLMDUZITDAASCT-KGLIPLIRSA-N 1 3 242.407 2.171 20 0 BEADHO C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@H](C)N ZINC000415003357 386256150 /nfs/dbraw/zinc/25/61/50/386256150.db2.gz FVSTXYVOKXASRJ-GJEJFBSKSA-N 1 3 204.317 2.025 20 0 BEADHO C[C@@H]([NH2+]C/C=C\c1ccccc1)[C@H](C)N ZINC000415003364 386256581 /nfs/dbraw/zinc/25/65/81/386256581.db2.gz FVSTXYVOKXASRJ-NYMIHGAESA-N 1 3 204.317 2.025 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCSC1)CN1CCCC1 ZINC000309707788 386311578 /nfs/dbraw/zinc/31/15/78/386311578.db2.gz WBGVZXSLHQEGTI-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)(CN[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000309707788 386311582 /nfs/dbraw/zinc/31/15/82/386311582.db2.gz WBGVZXSLHQEGTI-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1 ZINC000335261607 386320711 /nfs/dbraw/zinc/32/07/11/386320711.db2.gz OZYHCDQEFBNEDS-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)N)cc2cccnc12 ZINC000415007214 386356102 /nfs/dbraw/zinc/35/61/02/386356102.db2.gz CKLDMSHDABSCBD-NEPJUHHUSA-N 1 3 243.354 2.369 20 0 BEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191808 386364396 /nfs/dbraw/zinc/36/43/96/386364396.db2.gz AFERYDOMUDHULF-OCCSQVGLSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191808 386364401 /nfs/dbraw/zinc/36/44/01/386364401.db2.gz AFERYDOMUDHULF-OCCSQVGLSA-N 1 3 218.344 2.388 20 0 BEADHO CSCCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000336697230 386376605 /nfs/dbraw/zinc/37/66/05/386376605.db2.gz NMQSLYJEPULCSB-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CSCCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000336697230 386376609 /nfs/dbraw/zinc/37/66/09/386376609.db2.gz NMQSLYJEPULCSB-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO C[C@@H]1C[C@H](NCc2ccccc2)CC[N@@H+]1C ZINC000073655694 386451029 /nfs/dbraw/zinc/45/10/29/386451029.db2.gz KZTLAVPYGULHBC-TZMCWYRMSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@@H]1C[C@H](NCc2ccccc2)CC[N@H+]1C ZINC000073655694 386451032 /nfs/dbraw/zinc/45/10/32/386451032.db2.gz KZTLAVPYGULHBC-TZMCWYRMSA-N 1 3 218.344 2.259 20 0 BEADHO NCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414759315 386410674 /nfs/dbraw/zinc/41/06/74/386410674.db2.gz ZWBAHQWEQBPFSS-HUUCEWRRSA-N 1 3 232.371 2.336 20 0 BEADHO [NH3+]CCCCNCc1coc(-c2ccccc2)n1 ZINC000414910006 386411717 /nfs/dbraw/zinc/41/17/17/386411717.db2.gz RMNHHNZARWXQLC-UHFFFAOYSA-N 1 3 245.326 2.170 20 0 BEADHO C[C@H](C[NH3+])CNCc1cccc(Cl)c1 ZINC000308494383 386426812 /nfs/dbraw/zinc/42/68/12/386426812.db2.gz BIIROJXZZWRNGR-SECBINFHSA-N 1 3 212.724 2.024 20 0 BEADHO Cc1ccoc1CNCC1(C)CC[NH+](C)CC1 ZINC000227327673 386475233 /nfs/dbraw/zinc/47/52/33/386475233.db2.gz GYGGZONOJDRRSD-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO CC[C@@H]1CCC[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415042156 386528898 /nfs/dbraw/zinc/52/88/98/386528898.db2.gz SDVKEIAZTVTFIK-BJJPWKGXSA-N 1 3 222.376 2.010 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345928 386488004 /nfs/dbraw/zinc/48/80/04/386488004.db2.gz YMAJJKXIYJALCK-RWMBFGLXSA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345928 386488010 /nfs/dbraw/zinc/48/80/10/386488010.db2.gz YMAJJKXIYJALCK-RWMBFGLXSA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC12CC2 ZINC000417345928 386488018 /nfs/dbraw/zinc/48/80/18/386488018.db2.gz YMAJJKXIYJALCK-RWMBFGLXSA-N 1 3 220.360 2.003 20 0 BEADHO C[C@H](CCc1ccsc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000415013203 386496537 /nfs/dbraw/zinc/49/65/37/386496537.db2.gz KNZHREREWXJIOY-VWYCJHECSA-N 1 3 226.389 2.395 20 0 BEADHO Cc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1C ZINC000415015501 386500826 /nfs/dbraw/zinc/50/08/26/386500826.db2.gz YUZVSSOVEFGKLO-NWDGAFQWSA-N 1 3 206.333 2.129 20 0 BEADHO CCCc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000415016651 386502922 /nfs/dbraw/zinc/50/29/22/386502922.db2.gz OISHPWUDBVHMRP-NWDGAFQWSA-N 1 3 220.360 2.464 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)NC[C@@H](C)c1ccc(F)cc1 ZINC000415018316 386504170 /nfs/dbraw/zinc/50/41/70/386504170.db2.gz QRBGRLQCMXOIHL-MXWKQRLJSA-N 1 3 224.323 2.255 20 0 BEADHO c1ccc([C@H]2CCC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415052324 386508161 /nfs/dbraw/zinc/50/81/61/386508161.db2.gz CMFLEJKPDFSBGC-LJIZCISZSA-N 1 3 242.366 2.130 20 0 BEADHO C[C@H](CCC[NH3+])NCc1cc(F)c(F)cc1F ZINC000415026263 386513681 /nfs/dbraw/zinc/51/36/81/386513681.db2.gz SZJLABIDNLHDDN-MRVPVSSYSA-N 1 3 246.276 2.321 20 0 BEADHO C[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCCCC1 ZINC000415040129 386527505 /nfs/dbraw/zinc/52/75/05/386527505.db2.gz PUWMFWGYNDSYSC-RZFFKMDDSA-N 1 3 236.403 2.400 20 0 BEADHO CCC[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415039264 386527596 /nfs/dbraw/zinc/52/75/96/386527596.db2.gz PBEVNRXVTBMGRZ-CAOSSQGBSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)CN(C)C ZINC000291709197 386453291 /nfs/dbraw/zinc/45/32/91/386453291.db2.gz LBHIQBFSBLKSBP-CZUORRHYSA-N 1 3 246.398 2.331 20 0 BEADHO CC(C)[C@H](C[NH2+]C1CCNCC1)c1cccnc1 ZINC000415077867 386586303 /nfs/dbraw/zinc/58/63/03/386586303.db2.gz FTAADLHBUSJQLE-HNNXBMFYSA-N 1 3 247.386 2.163 20 0 BEADHO CC(C)[C@H](CNC1CC[NH2+]CC1)c1cccnc1 ZINC000415077867 386586307 /nfs/dbraw/zinc/58/63/07/386586307.db2.gz FTAADLHBUSJQLE-HNNXBMFYSA-N 1 3 247.386 2.163 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@@H](C)Cc1ccccc1 ZINC000414801017 386590594 /nfs/dbraw/zinc/59/05/94/386590594.db2.gz SUNLWVPYHZRKPB-ZFWWWQNUSA-N 1 3 234.387 2.438 20 0 BEADHO C[C@@H](CNCC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000414799728 386594710 /nfs/dbraw/zinc/59/47/10/386594710.db2.gz GWIABNMSOCVTJT-JTQLQIEISA-N 1 3 224.323 2.256 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1C ZINC000414788304 386533117 /nfs/dbraw/zinc/53/31/17/386533117.db2.gz DGNLUVRHYOJUDY-CQSZACIVSA-N 1 3 220.360 2.376 20 0 BEADHO C([NH2+][C@H]1CCCCC12CCCC2)C1CNC1 ZINC000335461705 386544013 /nfs/dbraw/zinc/54/40/13/386544013.db2.gz LNRADJSNVKCLRR-ZDUSSCGKSA-N 1 3 222.376 2.298 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000415064265 386545443 /nfs/dbraw/zinc/54/54/43/386545443.db2.gz CDUMNPHXWGDTAG-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO CC1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000415069263 386551135 /nfs/dbraw/zinc/55/11/35/386551135.db2.gz OPSPVZOOYBNHSQ-BPCQOVAHSA-N 1 3 210.365 2.297 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414791944 386551508 /nfs/dbraw/zinc/55/15/08/386551508.db2.gz BPJPLTVQZCNKAW-MELADBBJSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000415071003 386555169 /nfs/dbraw/zinc/55/51/69/386555169.db2.gz RZPNTTPNBWRBBY-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062078127 386561829 /nfs/dbraw/zinc/56/18/29/386561829.db2.gz RGROBZWMNSNWSK-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@H](C)c1ccccc1 ZINC000414795587 386572316 /nfs/dbraw/zinc/57/23/16/386572316.db2.gz NBYFCCOKPJYPQN-JSGCOSHPSA-N 1 3 220.360 2.363 20 0 BEADHO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCNC1 ZINC000415113014 386620370 /nfs/dbraw/zinc/62/03/70/386620370.db2.gz WAQKPITYUPOCQI-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H](C)Cc1ccccc1 ZINC000415131596 386635796 /nfs/dbraw/zinc/63/57/96/386635796.db2.gz ZRVSXTJMLWYPIC-AWEZNQCLSA-N 1 3 234.387 2.407 20 0 BEADHO CNCCC[N@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000415131596 386635801 /nfs/dbraw/zinc/63/58/01/386635801.db2.gz ZRVSXTJMLWYPIC-AWEZNQCLSA-N 1 3 234.387 2.407 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000415131596 386635810 /nfs/dbraw/zinc/63/58/10/386635810.db2.gz ZRVSXTJMLWYPIC-AWEZNQCLSA-N 1 3 234.387 2.407 20 0 BEADHO COC(C)(C)[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000300990298 386637240 /nfs/dbraw/zinc/63/72/40/386637240.db2.gz LNYLIOUSHRJATR-GFCCVEGCSA-N 1 3 230.396 2.120 20 0 BEADHO COC(C)(C)[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000300990298 386637245 /nfs/dbraw/zinc/63/72/45/386637245.db2.gz LNYLIOUSHRJATR-GFCCVEGCSA-N 1 3 230.396 2.120 20 0 BEADHO COC(C)(C)[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000300990298 386637253 /nfs/dbraw/zinc/63/72/53/386637253.db2.gz LNYLIOUSHRJATR-GFCCVEGCSA-N 1 3 230.396 2.120 20 0 BEADHO C[C@H](Cc1ccccc1F)NCC[C@H](C)[NH3+] ZINC000414817223 386652250 /nfs/dbraw/zinc/65/22/50/386652250.db2.gz AGXJPOWLUMDTML-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](Cc1ccccc1F)[NH2+]CC[C@H](C)N ZINC000414817223 386652257 /nfs/dbraw/zinc/65/22/57/386652257.db2.gz AGXJPOWLUMDTML-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO Cc1ccccc1OCCN[C@@H]1CCC[NH2+]CC1 ZINC000415082329 386599946 /nfs/dbraw/zinc/59/99/46/386599946.db2.gz LUDRTVXJLQYKTC-CQSZACIVSA-N 1 3 248.370 2.106 20 0 BEADHO CCCC[C@H](C[NH3+])N[C@H](COC)CC(C)C ZINC000414805736 386606459 /nfs/dbraw/zinc/60/64/59/386606459.db2.gz AQJXJJGRVVGRJL-OLZOCXBDSA-N 1 3 230.396 2.155 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414819731 386662293 /nfs/dbraw/zinc/66/22/93/386662293.db2.gz IETCONFINBWLCD-IVZWLZJFSA-N 1 3 238.297 2.434 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@H]1CCCNC1 ZINC000414818687 386667228 /nfs/dbraw/zinc/66/72/28/386667228.db2.gz FSVRVCVXZUMXTC-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCC1 ZINC000414818685 386667997 /nfs/dbraw/zinc/66/79/97/386667997.db2.gz FSVRVCVXZUMXTC-GMXVVIOVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000414821185 386677276 /nfs/dbraw/zinc/67/72/76/386677276.db2.gz KYKLJTWDOUIGHP-IDKOKCKLSA-N 1 3 238.297 2.434 20 0 BEADHO CN(C)c1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414927720 386710466 /nfs/dbraw/zinc/71/04/66/386710466.db2.gz PGOGHSIOPQRAEY-KBPBESRZSA-N 1 3 247.386 2.112 20 0 BEADHO C[NH2+]C[C@@H](C)CNC[C@@H](C)c1ccccc1 ZINC000414830784 386710317 /nfs/dbraw/zinc/71/03/17/386710317.db2.gz CKNKZECGQBOBLQ-CHWSQXEVSA-N 1 3 220.360 2.235 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000414830784 386710326 /nfs/dbraw/zinc/71/03/26/386710326.db2.gz CKNKZECGQBOBLQ-CHWSQXEVSA-N 1 3 220.360 2.235 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC1(C)C)CN1CCCC1 ZINC000336648490 386686426 /nfs/dbraw/zinc/68/64/26/386686426.db2.gz GEHLQYZNHRLLBE-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO c1ccc(C2CC([NH2+]C3CCNCC3)C2)cc1 ZINC000335483298 386711780 /nfs/dbraw/zinc/71/17/80/386711780.db2.gz MRVFIURWEWNONN-UHFFFAOYSA-N 1 3 230.355 2.274 20 0 BEADHO c1ccc(C2CC(NC3CC[NH2+]CC3)C2)cc1 ZINC000335483298 386711785 /nfs/dbraw/zinc/71/17/85/386711785.db2.gz MRVFIURWEWNONN-UHFFFAOYSA-N 1 3 230.355 2.274 20 0 BEADHO COCC(C)(C)CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000414927582 386693019 /nfs/dbraw/zinc/69/30/19/386693019.db2.gz MHSLWIFXJYWDSU-LBPRGKRZSA-N 1 3 242.407 2.027 20 0 BEADHO CNCCC[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000394834705 386693086 /nfs/dbraw/zinc/69/30/86/386693086.db2.gz QDKDOBKEPNTEEC-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@H]1CCCC[C@H]1C ZINC000394834705 386693092 /nfs/dbraw/zinc/69/30/92/386693092.db2.gz QDKDOBKEPNTEEC-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCCC[C@H]1C ZINC000394834705 386693100 /nfs/dbraw/zinc/69/31/00/386693100.db2.gz QDKDOBKEPNTEEC-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414826201 386694014 /nfs/dbraw/zinc/69/40/14/386694014.db2.gz VDYFEDVHYVIHMY-IHRRRGAJSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H](CC(C)C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826201 386694022 /nfs/dbraw/zinc/69/40/22/386694022.db2.gz VDYFEDVHYVIHMY-IHRRRGAJSA-N 1 3 242.407 2.025 20 0 BEADHO C[NH2+]CCN[C@@H](C)C[C@H](C)CC(C)C ZINC000414828621 386697683 /nfs/dbraw/zinc/69/76/83/386697683.db2.gz LAWVIIQMEPGXQO-NEPJUHHUSA-N 1 3 200.370 2.256 20 0 BEADHO COC(C)(C)CC[N@H+](C)CCCN1CCCC1 ZINC000337285476 386700529 /nfs/dbraw/zinc/70/05/29/386700529.db2.gz ZXXRLDLPCQJIOO-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO COC(C)(C)CC[N@@H+](C)CCCN1CCCC1 ZINC000337285476 386700534 /nfs/dbraw/zinc/70/05/34/386700534.db2.gz ZXXRLDLPCQJIOO-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO COC[C@@H](CC(C)C)N[C@@H](C[NH3+])CC(C)C ZINC000414836708 386730348 /nfs/dbraw/zinc/73/03/48/386730348.db2.gz IXIFYKWKYDTXIB-CHWSQXEVSA-N 1 3 230.396 2.011 20 0 BEADHO CC(C)(N)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050600912 386730991 /nfs/dbraw/zinc/73/09/91/386730991.db2.gz YYYJWMYIBUUOED-ZDUSSCGKSA-N 1 3 218.344 2.213 20 0 BEADHO CC(C)(N)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050600912 386730996 /nfs/dbraw/zinc/73/09/96/386730996.db2.gz YYYJWMYIBUUOED-ZDUSSCGKSA-N 1 3 218.344 2.213 20 0 BEADHO CC(C)(N)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050600914 386731050 /nfs/dbraw/zinc/73/10/50/386731050.db2.gz YYYJWMYIBUUOED-CYBMUJFWSA-N 1 3 218.344 2.213 20 0 BEADHO CC(C)(N)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050600914 386731055 /nfs/dbraw/zinc/73/10/55/386731055.db2.gz YYYJWMYIBUUOED-CYBMUJFWSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCNC1 ZINC000414838721 386739536 /nfs/dbraw/zinc/73/95/36/386739536.db2.gz XGKANYORDRISDH-ZJUUUORDSA-N 1 3 238.297 2.307 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000414840544 386739794 /nfs/dbraw/zinc/73/97/94/386739794.db2.gz MLJPTCMGYKXLKN-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@H]1CCCNC1 ZINC000414838715 386739948 /nfs/dbraw/zinc/73/99/48/386739948.db2.gz XGKANYORDRISDH-UWVGGRQHSA-N 1 3 238.297 2.307 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000414832177 386716082 /nfs/dbraw/zinc/71/60/82/386716082.db2.gz FAFCOMXZRHJONC-DRZSPHRISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCC23CCC3)CCCNC1 ZINC000335486508 386716285 /nfs/dbraw/zinc/71/62/85/386716285.db2.gz HEMROZIZAVYCEE-STQMWFEESA-N 1 3 222.376 2.298 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000414835811 386727272 /nfs/dbraw/zinc/72/72/72/386727272.db2.gz IPFZYKJKWBYZAF-YUTCNCBUSA-N 1 3 224.392 2.400 20 0 BEADHO CCCC[C@H](CC)[NH2+]C[C@H](C)CNC ZINC000414840837 386751403 /nfs/dbraw/zinc/75/14/03/386751403.db2.gz NPPCPPDOCSEUPT-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414841258 386754941 /nfs/dbraw/zinc/75/49/41/386754941.db2.gz ZBUQDSDYOROJFI-UCEQBCCISA-N 1 3 208.349 2.048 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000414931404 386762264 /nfs/dbraw/zinc/76/22/64/386762264.db2.gz PZJIBIHRUHKRNL-OEAJRASXSA-N 1 3 244.382 2.378 20 0 BEADHO CC(C)C1CC(N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000335538119 386743369 /nfs/dbraw/zinc/74/33/69/386743369.db2.gz GINYRYKMHIZAMQ-YWPUVAFDSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](C[NH3+])N[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000414933770 386790843 /nfs/dbraw/zinc/79/08/43/386790843.db2.gz URZRHEBMPYVICX-ZMJPVWNMSA-N 1 3 218.344 2.115 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000414844876 386771757 /nfs/dbraw/zinc/77/17/57/386771757.db2.gz RQNBWCGJMHTKAA-ZDEQEGDKSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccccc1CN(C)CC(C)(C)C[NH3+] ZINC000051256377 386777646 /nfs/dbraw/zinc/77/76/46/386777646.db2.gz NMGSAWWRHWVVOP-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO Cc1ccccc1C[N@@H+](C)CC(C)(C)CN ZINC000051256377 386777653 /nfs/dbraw/zinc/77/76/53/386777653.db2.gz NMGSAWWRHWVVOP-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO Cc1ccccc1C[N@H+](C)CC(C)(C)CN ZINC000051256377 386777658 /nfs/dbraw/zinc/77/76/58/386777658.db2.gz NMGSAWWRHWVVOP-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO C[C@H]1CCC[C@@H](CN(C)C2CC([NH3+])C2)C1 ZINC000394999402 386797317 /nfs/dbraw/zinc/79/73/17/386797317.db2.gz FPRYAGIQCFMSNG-ZFDZMSFRSA-N 1 3 210.365 2.234 20 0 BEADHO Cc1ccncc1CN(C)CC1CC[NH+](C)CC1 ZINC000269487113 386798679 /nfs/dbraw/zinc/79/86/79/386798679.db2.gz NCQWTBHPANAZIZ-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO CC[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)OC ZINC000336669538 386801131 /nfs/dbraw/zinc/80/11/31/386801131.db2.gz AMPBCPHWPHYODT-HZSPNIEDSA-N 1 3 242.407 2.312 20 0 BEADHO CN(CCC1CCCCC1)C1CC([NH3+])C1 ZINC000395007246 386802454 /nfs/dbraw/zinc/80/24/54/386802454.db2.gz ICOFOFVHOPXSTL-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[N@H+](CCC1CCCCC1)C1CC(N)C1 ZINC000395007246 386802457 /nfs/dbraw/zinc/80/24/57/386802457.db2.gz ICOFOFVHOPXSTL-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[N@@H+](CCC1CCCCC1)C1CC(N)C1 ZINC000395007246 386802464 /nfs/dbraw/zinc/80/24/64/386802464.db2.gz ICOFOFVHOPXSTL-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO CC[N@H+](C[C@H]1CCCNC1)C1CC(C)(C)C1 ZINC000395300360 386808575 /nfs/dbraw/zinc/80/85/75/386808575.db2.gz QNRUKUPNSIHYPF-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[N@@H+](C[C@H]1CCCNC1)C1CC(C)(C)C1 ZINC000395300360 386808581 /nfs/dbraw/zinc/80/85/81/386808581.db2.gz QNRUKUPNSIHYPF-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000051627188 386835605 /nfs/dbraw/zinc/83/56/05/386835605.db2.gz PPBHFODBIZQQTB-CQSZACIVSA-N 1 3 218.344 2.479 20 0 BEADHO Cc1cncc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000293741732 386872484 /nfs/dbraw/zinc/87/24/84/386872484.db2.gz QRXGDMFVCLCEPS-OLZOCXBDSA-N 1 3 235.375 2.238 20 0 BEADHO CC1([NH2+]CC2CCCCC2)CCNCC1 ZINC000334840933 386884766 /nfs/dbraw/zinc/88/47/66/386884766.db2.gz DEACOURRQAAHJA-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO CCc1ccccc1CN1CCC[C@@H](C[NH3+])C1 ZINC000052204665 386902927 /nfs/dbraw/zinc/90/29/27/386902927.db2.gz DWHIUYQJQRQOQC-ZDUSSCGKSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccccc1CN1CCC[C@H](C[NH3+])C1 ZINC000052204663 386903100 /nfs/dbraw/zinc/90/31/00/386903100.db2.gz DWHIUYQJQRQOQC-CYBMUJFWSA-N 1 3 232.371 2.420 20 0 BEADHO C[C@H]1CC(C)(C)CN1C[C@]1(C)CC[NH2+]C1 ZINC000334853328 386905060 /nfs/dbraw/zinc/90/50/60/386905060.db2.gz JWYZOBQIGWZKGN-WCQYABFASA-N 1 3 210.365 2.106 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCNC[C@@H]1C ZINC000334857825 386910133 /nfs/dbraw/zinc/91/01/33/386910133.db2.gz OTFKQCBYWONIJO-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@H]2CCNC[C@H]2C)c1 ZINC000334858374 386911784 /nfs/dbraw/zinc/91/17/84/386911784.db2.gz SDBFCFCLHZKOOS-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CCCNC1 ZINC000334873243 386934558 /nfs/dbraw/zinc/93/45/58/386934558.db2.gz FNXXCZBJKYFDNK-DOMZBBRYSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@@H](NC1Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000334873243 386934561 /nfs/dbraw/zinc/93/45/61/386934561.db2.gz FNXXCZBJKYFDNK-DOMZBBRYSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]([NH2+]C1Cc2ccccc2C1)[C@H]1CCCNC1 ZINC000334873250 386934612 /nfs/dbraw/zinc/93/46/12/386934612.db2.gz FNXXCZBJKYFDNK-WFASDCNBSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H](NC1Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000334873250 386934614 /nfs/dbraw/zinc/93/46/14/386934614.db2.gz FNXXCZBJKYFDNK-WFASDCNBSA-N 1 3 244.382 2.132 20 0 BEADHO CSC1(C[NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000304255637 386966462 /nfs/dbraw/zinc/96/64/62/386966462.db2.gz IDFDIELMWYERJK-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000104411925 387006132 /nfs/dbraw/zinc/00/61/32/387006132.db2.gz AQAZVTBZQOGHRO-KBPBESRZSA-N 1 3 248.370 2.125 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107934675 387038558 /nfs/dbraw/zinc/03/85/58/387038558.db2.gz ZPZHCIHRZUVCFQ-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO CCOC[C@H]1CCCC[N@@H+]1C[C@H](N)CC(C)C ZINC000313209147 387011732 /nfs/dbraw/zinc/01/17/32/387011732.db2.gz GRCNVRYAYXFQGG-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO CCOC[C@H]1CCCC[N@H+]1C[C@H](N)CC(C)C ZINC000313209147 387011734 /nfs/dbraw/zinc/01/17/34/387011734.db2.gz GRCNVRYAYXFQGG-ZIAGYGMSSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423299470 387130416 /nfs/dbraw/zinc/13/04/16/387130416.db2.gz BUOJRRNMNQMJIW-CVEARBPZSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@]1(c2ccccc2)CC[C@@H](NCC2C[NH2+]C2)C1 ZINC000423299470 387130419 /nfs/dbraw/zinc/13/04/19/387130419.db2.gz BUOJRRNMNQMJIW-CVEARBPZSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423298521 387130478 /nfs/dbraw/zinc/13/04/78/387130478.db2.gz AJUMHPXKAGJQEG-IJLUTSLNSA-N 1 3 216.344 2.089 20 0 BEADHO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)CN ZINC000423299156 387130674 /nfs/dbraw/zinc/13/06/74/387130674.db2.gz PLIHWRKUJQIUIS-SDDRHHMPSA-N 1 3 200.370 2.386 20 0 BEADHO Cc1csc([C@@H](C)NCC2CC[NH2+]CC2)n1 ZINC000070733614 387089681 /nfs/dbraw/zinc/08/96/81/387089681.db2.gz CKLNWABHQUTOQI-SNVBAGLBSA-N 1 3 239.388 2.102 20 0 BEADHO Cc1csc([C@H](C)NCC2CC[NH2+]CC2)n1 ZINC000070733615 387091451 /nfs/dbraw/zinc/09/14/51/387091451.db2.gz CKLNWABHQUTOQI-JTQLQIEISA-N 1 3 239.388 2.102 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1=CCCCC1 ZINC000335004790 387098571 /nfs/dbraw/zinc/09/85/71/387098571.db2.gz GAXYEUKHVRWNLV-OCCSQVGLSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1=CCCCC1 ZINC000335004790 387098574 /nfs/dbraw/zinc/09/85/74/387098574.db2.gz GAXYEUKHVRWNLV-OCCSQVGLSA-N 1 3 222.376 2.465 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000335004462 387098755 /nfs/dbraw/zinc/09/87/55/387098755.db2.gz DCMGDUZAEWCTFX-XVSSEFHLSA-N 1 3 210.365 2.009 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000335025406 387116714 /nfs/dbraw/zinc/11/67/14/387116714.db2.gz RMDSFCOGNNJQEO-ZIAGYGMSSA-N 1 3 218.344 2.436 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000335025404 387116780 /nfs/dbraw/zinc/11/67/80/387116780.db2.gz RMDSFCOGNNJQEO-KGLIPLIRSA-N 1 3 218.344 2.436 20 0 BEADHO Cc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000335025419 387116852 /nfs/dbraw/zinc/11/68/52/387116852.db2.gz RREWFJMJOPTARB-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028647 387122675 /nfs/dbraw/zinc/12/26/75/387122675.db2.gz XTVUNFJAGIUUKQ-GXSJLCMTSA-N 1 3 232.318 2.281 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000335028650 387122696 /nfs/dbraw/zinc/12/26/96/387122696.db2.gz XTVUNFJAGIUUKQ-ONGXEEELSA-N 1 3 232.318 2.281 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423298619 387128806 /nfs/dbraw/zinc/12/88/06/387128806.db2.gz OUZDOYHPIWWCAR-ISTVAULSSA-N 1 3 236.334 2.243 20 0 BEADHO COc1cc([C@@H](C)NC[C@@H](C)C[NH3+])ccc1F ZINC000423299532 387129076 /nfs/dbraw/zinc/12/90/76/387129076.db2.gz BSZNIXNVUFCDDS-VHSXEESVSA-N 1 3 240.322 2.080 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000423299616 387129253 /nfs/dbraw/zinc/12/92/53/387129253.db2.gz CCRWVTQJACDXOC-GYSYKLTISA-N 1 3 218.344 2.419 20 0 BEADHO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1CNC1 ZINC000423299031 387129366 /nfs/dbraw/zinc/12/93/66/387129366.db2.gz ASMAIHDLBMZNIB-OAHLLOKOSA-N 1 3 232.371 2.125 20 0 BEADHO CC[C@H](Cc1ccc(C)cc1)NCC1C[NH2+]C1 ZINC000423299031 387129371 /nfs/dbraw/zinc/12/93/71/387129371.db2.gz ASMAIHDLBMZNIB-OAHLLOKOSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1cccc2c1CC[C@H]2NC[C@H](C)C[NH3+] ZINC000423298575 387129536 /nfs/dbraw/zinc/12/95/36/387129536.db2.gz OOPXJBIGCBAAFW-QMTHXVAHSA-N 1 3 218.344 2.167 20 0 BEADHO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423298760 387130025 /nfs/dbraw/zinc/13/00/25/387130025.db2.gz AFYDAFMHLXTROT-HZPDHXFCSA-N 1 3 244.382 2.440 20 0 BEADHO Cc1ccc([C@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423298760 387130031 /nfs/dbraw/zinc/13/00/31/387130031.db2.gz AFYDAFMHLXTROT-HZPDHXFCSA-N 1 3 244.382 2.440 20 0 BEADHO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN ZINC000423299833 387130109 /nfs/dbraw/zinc/13/01/09/387130109.db2.gz CEAXQGRRBNURJR-WOPDTQHZSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423305666 387141541 /nfs/dbraw/zinc/14/15/41/387141541.db2.gz KYLQNMFTFUPVMA-FDYHWXHSSA-N 1 3 212.381 2.386 20 0 BEADHO CC(C)(C)C1CCC([NH2+]CC2CNC2)CC1 ZINC000423309504 387145812 /nfs/dbraw/zinc/14/58/12/387145812.db2.gz ZYARRNPCQQIKGO-UHFFFAOYSA-N 1 3 224.392 2.400 20 0 BEADHO CCC[NH2+]CCNC1[C@H](C)CCC[C@H]1C ZINC000423309800 387146635 /nfs/dbraw/zinc/14/66/35/387146635.db2.gz MALGUOLHTATNCJ-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC(C)(C)C[C@H]1C ZINC000423309857 387147008 /nfs/dbraw/zinc/14/70/08/387147008.db2.gz MENBDSRHIHJTFZ-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO N[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C1CC1 ZINC000423310973 387149603 /nfs/dbraw/zinc/14/96/03/387149603.db2.gz BBGSEXUXXSTHEE-ZIAGYGMSSA-N 1 3 234.318 2.140 20 0 BEADHO CC(C)C[C@H]1CCC[C@H]([NH2+]CC2CNC2)C1 ZINC000423313897 387151284 /nfs/dbraw/zinc/15/12/84/387151284.db2.gz GHLACLWUPNUTDW-OCCSQVGLSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)C1 ZINC000423312957 387152020 /nfs/dbraw/zinc/15/20/20/387152020.db2.gz VVKCYCSMMMYRQB-FRRDWIJNSA-N 1 3 212.381 2.386 20 0 BEADHO N[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000423315576 387156623 /nfs/dbraw/zinc/15/66/23/387156623.db2.gz IZROADLRKUHREH-LSDHHAIUSA-N 1 3 230.355 2.465 20 0 BEADHO Cc1cccc([C@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000423315919 387157559 /nfs/dbraw/zinc/15/75/59/387157559.db2.gz JHHQDNLHMPKVJY-FZMZJTMJSA-N 1 3 218.344 2.383 20 0 BEADHO N[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)C1CC1 ZINC000423315574 387157715 /nfs/dbraw/zinc/15/77/15/387157715.db2.gz IZROADLRKUHREH-HUUCEWRRSA-N 1 3 230.355 2.465 20 0 BEADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000423318158 387159276 /nfs/dbraw/zinc/15/92/76/387159276.db2.gz CFDVBFRFQDUEMN-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc([C@H](C)NCC2(C)CC[NH2+]CC2)no1 ZINC000423319139 387159674 /nfs/dbraw/zinc/15/96/74/387159674.db2.gz CYKFRICNBGVCNW-NSHDSACASA-N 1 3 237.347 2.023 20 0 BEADHO N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000536949761 387160303 /nfs/dbraw/zinc/16/03/03/387160303.db2.gz YHQJRFDYJPWBLJ-AWEZNQCLSA-N 1 3 218.344 2.390 20 0 BEADHO N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000536949761 387160308 /nfs/dbraw/zinc/16/03/08/387160308.db2.gz YHQJRFDYJPWBLJ-AWEZNQCLSA-N 1 3 218.344 2.390 20 0 BEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccs1 ZINC000423320617 387162689 /nfs/dbraw/zinc/16/26/89/387162689.db2.gz MILUONLIOZTOFN-WCBMZHEXSA-N 1 3 210.346 2.136 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccs1 ZINC000423320613 387163182 /nfs/dbraw/zinc/16/31/82/387163182.db2.gz MILUONLIOZTOFN-PSASIEDQSA-N 1 3 210.346 2.136 20 0 BEADHO CCO[C@@H]1C[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000571745702 387167159 /nfs/dbraw/zinc/16/71/59/387167159.db2.gz WKIZNBPEFOJHLQ-QWHCGFSZSA-N 1 3 240.391 2.016 20 0 BEADHO COc1cccc([C@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423343585 387193368 /nfs/dbraw/zinc/19/33/68/387193368.db2.gz MAMDNXIHISJUBB-LBPRGKRZSA-N 1 3 246.354 2.266 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OC)cc1 ZINC000423328750 387172749 /nfs/dbraw/zinc/17/27/49/387172749.db2.gz SGYKIXZUPDLTTR-CABCVRRESA-N 1 3 248.370 2.473 20 0 BEADHO CCC[C@@H]([NH2+]CC1CNC1)C1CCCC1 ZINC000423331665 387176430 /nfs/dbraw/zinc/17/64/30/387176430.db2.gz USYUAMDBUPIKRO-CYBMUJFWSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N)C1CC1)CC2 ZINC000423333156 387178671 /nfs/dbraw/zinc/17/86/71/387178671.db2.gz VMEODQKRMFLQGP-GJZGRUSLSA-N 1 3 230.355 2.309 20 0 BEADHO Cc1cc([C@@H](C)NCCCC[NH3+])oc1C ZINC000423336808 387183175 /nfs/dbraw/zinc/18/31/75/387183175.db2.gz VDXVODKKSULABE-SNVBAGLBSA-N 1 3 210.321 2.286 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CNC1 ZINC000423339204 387188463 /nfs/dbraw/zinc/18/84/63/387188463.db2.gz ZIZDSPBOUYEDGA-RTXFEEFZSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cc([C@@H](C)NC[C@@H](C)C[NH3+])cs1 ZINC000423302092 387135694 /nfs/dbraw/zinc/13/56/94/387135694.db2.gz GWQITLYDHXUHOI-WCBMZHEXSA-N 1 3 212.362 2.302 20 0 BEADHO COc1cccc(C2CCN(CCC[NH3+])CC2)c1 ZINC000057537240 387136416 /nfs/dbraw/zinc/13/64/16/387136416.db2.gz RLKKZWJYTVWNBP-UHFFFAOYSA-N 1 3 248.370 2.223 20 0 BEADHO CCC1(C)CCC([NH2+]CC2CNC2)CC1 ZINC000423304184 387136977 /nfs/dbraw/zinc/13/69/77/387136977.db2.gz NLCAUQZFNRTMDW-UHFFFAOYSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](CN)[NH2+]Cc1ccccc1C(F)(F)F ZINC000162015812 387138982 /nfs/dbraw/zinc/13/89/82/387138982.db2.gz CIMYDMQHWKKQRW-QMMMGPOBSA-N 1 3 232.249 2.142 20 0 BEADHO N[C@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC000423325033 387139216 /nfs/dbraw/zinc/13/92/16/387139216.db2.gz PTHKNWUFQSOXAO-CABCVRRESA-N 1 3 230.355 2.391 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000423304788 387139702 /nfs/dbraw/zinc/13/97/02/387139702.db2.gz ZLWXVNYICVFHOO-NXEZZACHSA-N 1 3 212.381 2.242 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)C12CC3CC(CC(C3)C1)C2 ZINC000423304670 387140475 /nfs/dbraw/zinc/14/04/75/387140475.db2.gz OQQHDWVPSATIFT-IKMFHRHGSA-N 1 3 248.414 2.400 20 0 BEADHO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CN)CCC2 ZINC000423358556 387210042 /nfs/dbraw/zinc/21/00/42/387210042.db2.gz BQZWONDSYVMFHK-IUCAKERBSA-N 1 3 239.388 2.020 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCSCC1 ZINC000423365081 387216061 /nfs/dbraw/zinc/21/60/61/387216061.db2.gz CVEVEBBQKUUCRF-MDZLAQPJSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC12CCCC2 ZINC000423370003 387224441 /nfs/dbraw/zinc/22/44/41/387224441.db2.gz TZFIRTSJEBYFKI-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC12CCCC2 ZINC000423370005 387224765 /nfs/dbraw/zinc/22/47/65/387224765.db2.gz TZFIRTSJEBYFKI-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423372285 387226590 /nfs/dbraw/zinc/22/65/90/387226590.db2.gz IFNUUSONVZECMX-MDZLAQPJSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371753 387226930 /nfs/dbraw/zinc/22/69/30/387226930.db2.gz AUEXVVVRCPVCDE-MROQNXINSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000423401425 387238442 /nfs/dbraw/zinc/23/84/42/387238442.db2.gz QWJJZTKNHPDGRI-FVCCEPFGSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccn1 ZINC000423421850 387250690 /nfs/dbraw/zinc/25/06/90/387250690.db2.gz BCUCNOLXTRBTTM-OSAQELSMSA-N 1 3 245.370 2.120 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424231 387250930 /nfs/dbraw/zinc/25/09/30/387250930.db2.gz FMXPJADMIIBWNY-LACSLYJWSA-N 1 3 236.403 2.255 20 0 BEADHO Cc1cc([C@H](C)NCC2=CC[NH2+]CC2)c(C)o1 ZINC000423347560 387196334 /nfs/dbraw/zinc/19/63/34/387196334.db2.gz QPARKOHKQPLTHY-NSHDSACASA-N 1 3 234.343 2.467 20 0 BEADHO Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000423463424 387310756 /nfs/dbraw/zinc/31/07/56/387310756.db2.gz FYJSUAZZTHOCMI-QJPTWQEYSA-N 1 3 237.347 2.151 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461641 387311461 /nfs/dbraw/zinc/31/14/61/387311461.db2.gz JZMJYXLXHYLHET-ZWNOBZJWSA-N 1 3 249.358 2.033 20 0 BEADHO CCCC[NH+]1CCC(N[C@H]2CCO[C@@H]2C)CC1 ZINC000120658924 387261900 /nfs/dbraw/zinc/26/19/00/387261900.db2.gz KKTSYRFGLFLFPN-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423471073 387317428 /nfs/dbraw/zinc/31/74/28/387317428.db2.gz POAQMOVLZZIVPH-JSGCOSHPSA-N 1 3 236.359 2.473 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000423471074 387317652 /nfs/dbraw/zinc/31/76/52/387317652.db2.gz POAQMOVLZZIVPH-OCCSQVGLSA-N 1 3 236.359 2.473 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000423389494 387274731 /nfs/dbraw/zinc/27/47/31/387274731.db2.gz NNNOYCCHXCYISV-RAIGVLPGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1coc2ccccc12)N[C@@H](C)C[NH3+] ZINC000423390834 387276908 /nfs/dbraw/zinc/27/69/08/387276908.db2.gz KOYQBQRMLSSAPL-MNOVXSKESA-N 1 3 232.327 2.301 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCC1 ZINC000423392096 387279734 /nfs/dbraw/zinc/27/97/34/387279734.db2.gz XLCQTPIPMGMLPB-RTXFEEFZSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)CN1CCCC1 ZINC000321594239 387282596 /nfs/dbraw/zinc/28/25/96/387282596.db2.gz PODKFRNQQCYMGN-RQJABVFESA-N 1 3 224.392 2.352 20 0 BEADHO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000423433406 387283021 /nfs/dbraw/zinc/28/30/21/387283021.db2.gz CIFCUPUGVHXOAD-DCAQKATOSA-N 1 3 249.358 2.031 20 0 BEADHO CC[NH+]1CCC(CNCc2ccoc2C)CC1 ZINC000320970413 387318110 /nfs/dbraw/zinc/31/81/10/387318110.db2.gz GEKBDMWNNMNVPZ-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccc(F)cn1 ZINC000423438356 387288853 /nfs/dbraw/zinc/28/88/53/387288853.db2.gz RIPJGUXWZMHJBJ-GHMZBOCLSA-N 1 3 239.338 2.389 20 0 BEADHO CC(C)CC[C@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423453867 387301750 /nfs/dbraw/zinc/30/17/50/387301750.db2.gz LALHRSUBNQKBOE-BTFPBAQTSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423454980 387302336 /nfs/dbraw/zinc/30/23/36/387302336.db2.gz ZUPAQJOWVOIVBL-MXWKQRLJSA-N 1 3 234.343 2.103 20 0 BEADHO CC[C@H](N[C@@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423457761 387306256 /nfs/dbraw/zinc/30/62/56/387306256.db2.gz PMOCTIPCSNEPFL-JQWIXIFHSA-N 1 3 239.338 2.389 20 0 BEADHO CCC[C@H](C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352539758 387306512 /nfs/dbraw/zinc/30/65/12/387306512.db2.gz CMAJSUOCDKYPOS-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)c(C)c1 ZINC000423480628 387361585 /nfs/dbraw/zinc/36/15/85/387361585.db2.gz WHERPHHILWSSGO-TUAOUCFPSA-N 1 3 236.359 2.390 20 0 BEADHO C(N[C@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502745 387362513 /nfs/dbraw/zinc/36/25/13/387362513.db2.gz OYQTZUBJNWCWQZ-RDBSUJKOSA-N 1 3 222.376 2.297 20 0 BEADHO C(N[C@H]1CC[C@@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502743 387362680 /nfs/dbraw/zinc/36/26/80/387362680.db2.gz OYQTZUBJNWCWQZ-MCIONIFRSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000423481619 387362721 /nfs/dbraw/zinc/36/27/21/387362721.db2.gz XAEABDCCFHBTPM-YNEHKIRRSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453601 387370082 /nfs/dbraw/zinc/37/00/82/387370082.db2.gz KLFCZWAZRPEQKU-XPKDYRNWSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453648 387371419 /nfs/dbraw/zinc/37/14/19/387371419.db2.gz OVLJGZUXLVNJDY-LOWVWBTDSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1Cc2ccccc21 ZINC000643453648 387371423 /nfs/dbraw/zinc/37/14/23/387371423.db2.gz OVLJGZUXLVNJDY-LOWVWBTDSA-N 1 3 218.344 2.042 20 0 BEADHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1C[C@H]1C ZINC000423557696 387375528 /nfs/dbraw/zinc/37/55/28/387375528.db2.gz NNWLFXHMKXNBQH-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])CC)C1(CC)CC ZINC000423477814 387324261 /nfs/dbraw/zinc/32/42/61/387324261.db2.gz UEKGISGVKANQGH-FRRDWIJNSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423482999 387328976 /nfs/dbraw/zinc/32/89/76/387328976.db2.gz XRJJVWWKBFEQDD-YGRLFVJLSA-N 1 3 234.343 2.105 20 0 BEADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])CC)C12CCCC2 ZINC000423485994 387331924 /nfs/dbraw/zinc/33/19/24/387331924.db2.gz ZIJBLYSXNPDVBZ-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cncs1 ZINC000423489038 387333226 /nfs/dbraw/zinc/33/32/26/387333226.db2.gz VTBGBZGUUKUFDM-MNOVXSKESA-N 1 3 239.388 2.326 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)CCc1ccco1 ZINC000515053155 387334468 /nfs/dbraw/zinc/33/44/68/387334468.db2.gz DHRHAHUQLPCVDO-AAEUAGOBSA-N 1 3 224.348 2.174 20 0 BEADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccco1 ZINC000423488895 387334532 /nfs/dbraw/zinc/33/45/32/387334532.db2.gz FJLDNGZDHUBVFO-DCAQKATOSA-N 1 3 208.305 2.058 20 0 BEADHO C[C@H](C[NH2+][C@H]1CSC[C@@H]1C)CN1CCCC1 ZINC000304500475 387491013 /nfs/dbraw/zinc/49/10/13/387491013.db2.gz NFHKQLWMICYMIO-AGIUHOORSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCSC[C@H](C)C1 ZINC000379553235 387586319 /nfs/dbraw/zinc/58/63/19/387586319.db2.gz VUEYIAAWISJDKH-NEPJUHHUSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCSC[C@H](C)C1 ZINC000379553235 387586322 /nfs/dbraw/zinc/58/63/22/387586322.db2.gz VUEYIAAWISJDKH-NEPJUHHUSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)Cc1cccs1 ZINC000643511614 387593621 /nfs/dbraw/zinc/59/36/21/387593621.db2.gz LEVINDVWEQCGQJ-JQWIXIFHSA-N 1 3 226.389 2.252 20 0 BEADHO CC(C)(N)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555301 387599475 /nfs/dbraw/zinc/59/94/75/387599475.db2.gz OYUYZIKAGNFBEW-UHFFFAOYSA-N 1 3 218.344 2.391 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422558898 387601087 /nfs/dbraw/zinc/60/10/87/387601087.db2.gz ZXZZYSLPPNULNH-AWEZNQCLSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1ccc(CCN[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422698944 387616114 /nfs/dbraw/zinc/61/61/14/387616114.db2.gz BWLPBLKOBWIPEZ-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H](C)C2CNC2)c(C)c1 ZINC000422698944 387616121 /nfs/dbraw/zinc/61/61/21/387616121.db2.gz BWLPBLKOBWIPEZ-ZDUSSCGKSA-N 1 3 232.371 2.043 20 0 BEADHO CCc1nc([C@@H](C)N[C@H](C)CCC[NH3+])cs1 ZINC000422703037 387617623 /nfs/dbraw/zinc/61/76/23/387617623.db2.gz GSBKQKXFMKYOJF-NXEZZACHSA-N 1 3 241.404 2.484 20 0 BEADHO CC[C@@H](Cc1cccs1)NC[C@H]([NH3+])C1CC1 ZINC000643516415 387622797 /nfs/dbraw/zinc/62/27/97/387622797.db2.gz RNBGFFNRNHXVOY-AAEUAGOBSA-N 1 3 238.400 2.396 20 0 BEADHO CC(C)C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000355757829 387577405 /nfs/dbraw/zinc/57/74/05/387577405.db2.gz KOPKEYRHZUYTIB-LBPRGKRZSA-N 1 3 212.381 2.447 20 0 BEADHO COCCCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430556768 387628052 /nfs/dbraw/zinc/62/80/52/387628052.db2.gz VBIAKKYYAGMRLK-CYBMUJFWSA-N 1 3 230.396 2.108 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCc2ccc(C)cc2)C1 ZINC000430605606 387632474 /nfs/dbraw/zinc/63/24/74/387632474.db2.gz STFGTPOTJXOQON-MRXNPFEDSA-N 1 3 246.398 2.469 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422728319 387638666 /nfs/dbraw/zinc/63/86/66/387638666.db2.gz JBKUIRDBPRBAFK-NWDGAFQWSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(F)cc1 ZINC000422735454 387643010 /nfs/dbraw/zinc/64/30/10/387643010.db2.gz UVMPOXMCBDQTGX-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000422735454 387643016 /nfs/dbraw/zinc/64/30/16/387643016.db2.gz UVMPOXMCBDQTGX-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@H](C)C[C@H](C)[NH3+] ZINC000422739693 387645356 /nfs/dbraw/zinc/64/53/56/387645356.db2.gz LZHXNHACBVJSQH-QJPTWQEYSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C[C@H](C)N ZINC000422739693 387645366 /nfs/dbraw/zinc/64/53/66/387645366.db2.gz LZHXNHACBVJSQH-QJPTWQEYSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C1CNC1 ZINC000422745699 387647566 /nfs/dbraw/zinc/64/75/66/387647566.db2.gz VMTWEMUZNAIOBG-GHMZBOCLSA-N 1 3 236.334 2.127 20 0 BEADHO C[C@@H](NC[C@@H](C)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000422745699 387647570 /nfs/dbraw/zinc/64/75/70/387647570.db2.gz VMTWEMUZNAIOBG-GHMZBOCLSA-N 1 3 236.334 2.127 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)c1ccc(F)cc1 ZINC000422745702 387649004 /nfs/dbraw/zinc/64/90/04/387649004.db2.gz VMTWEMUZNAIOBG-WDEREUQCSA-N 1 3 236.334 2.127 20 0 BEADHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422745702 387649009 /nfs/dbraw/zinc/64/90/09/387649009.db2.gz VMTWEMUZNAIOBG-WDEREUQCSA-N 1 3 236.334 2.127 20 0 BEADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccccc1 ZINC000422748877 387653518 /nfs/dbraw/zinc/65/35/18/387653518.db2.gz WOEOOLOKOBTHLC-GJZGRUSLSA-N 1 3 232.371 2.479 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000422754783 387659373 /nfs/dbraw/zinc/65/93/73/387659373.db2.gz GENZUGMIJVDXRP-FIQHERPVSA-N 1 3 230.421 2.376 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000422758301 387661000 /nfs/dbraw/zinc/66/10/00/387661000.db2.gz NTUWHNNAOOTXKS-ZFWWWQNUSA-N 1 3 247.386 2.206 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000422756982 387661769 /nfs/dbraw/zinc/66/17/69/387661769.db2.gz CTASOMUVLPXCHF-SRRSOLGSSA-N 1 3 210.365 2.009 20 0 BEADHO CCc1ccc(CCN2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430953865 387664008 /nfs/dbraw/zinc/66/40/08/387664008.db2.gz DBSYYHOIQGLIPA-CZUORRHYSA-N 1 3 246.398 2.461 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C12CCC2 ZINC000422777106 387674179 /nfs/dbraw/zinc/67/41/79/387674179.db2.gz FFLGLHAAIDSROU-MROQNXINSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C12CCC2 ZINC000422777106 387674184 /nfs/dbraw/zinc/67/41/84/387674184.db2.gz FFLGLHAAIDSROU-MROQNXINSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])Cc1cccs1 ZINC000422778283 387675814 /nfs/dbraw/zinc/67/58/14/387675814.db2.gz HGSVYTCMAQAQMB-CYZMBNFOSA-N 1 3 238.400 2.396 20 0 BEADHO Cc1cc(C)cc(CCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422783813 387684489 /nfs/dbraw/zinc/68/44/89/387684489.db2.gz NGVXXFMBIKPJHT-CABCVRRESA-N 1 3 232.371 2.315 20 0 BEADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccco1 ZINC000044515657 387685793 /nfs/dbraw/zinc/68/57/93/387685793.db2.gz GBECDCZEHXOACT-LLVKDONJSA-N 1 3 222.332 2.272 20 0 BEADHO C[C@@H](NCCc1ccccc1Cl)C1C[NH2+]C1 ZINC000422787244 387686287 /nfs/dbraw/zinc/68/62/87/387686287.db2.gz UGTVPUWOSLQIDB-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO C[C@@H]([NH2+]CCc1ccccc1Cl)C1CNC1 ZINC000422787244 387686292 /nfs/dbraw/zinc/68/62/92/387686292.db2.gz UGTVPUWOSLQIDB-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO C[C@H](NCCc1ccccc1Cl)C1C[NH2+]C1 ZINC000422787243 387686475 /nfs/dbraw/zinc/68/64/75/387686475.db2.gz UGTVPUWOSLQIDB-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO C[C@H]([NH2+]CCc1ccccc1Cl)C1CNC1 ZINC000422787243 387686484 /nfs/dbraw/zinc/68/64/84/387686484.db2.gz UGTVPUWOSLQIDB-JTQLQIEISA-N 1 3 238.762 2.080 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CCCOc2ccccc2)C1 ZINC000044530186 387686684 /nfs/dbraw/zinc/68/66/84/387686684.db2.gz GBEXMMYXBDXPIX-AWEZNQCLSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422744193 387689705 /nfs/dbraw/zinc/68/97/05/387689705.db2.gz SOGZBOHENDYSGU-SWHYSGLUSA-N 1 3 236.334 2.399 20 0 BEADHO CO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422743327 387691245 /nfs/dbraw/zinc/69/12/45/387691245.db2.gz TYGDYDWCDJZCDO-SGMGOOAPSA-N 1 3 236.359 2.090 20 0 BEADHO C1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CN1 ZINC000422792375 387692976 /nfs/dbraw/zinc/69/29/76/387692976.db2.gz DQEKDOYOTGQRDT-AAVRWANBSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000422873739 387751573 /nfs/dbraw/zinc/75/15/73/387751573.db2.gz LYNRNHDQBWKHIV-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000422873740 387753009 /nfs/dbraw/zinc/75/30/09/387753009.db2.gz LYNRNHDQBWKHIV-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO COCc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422879380 387753995 /nfs/dbraw/zinc/75/39/95/387753995.db2.gz KHUITWSUTCHGBV-RYUDHWBXSA-N 1 3 236.359 2.048 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@H]1CC12CC2)CN1CCCC1 ZINC000527852500 387754636 /nfs/dbraw/zinc/75/46/36/387754636.db2.gz RHGMGTVKSALWHE-MGPQQGTHSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000422799508 387698726 /nfs/dbraw/zinc/69/87/26/387698726.db2.gz XCEPZKVALARYFS-COPLHBTASA-N 1 3 218.344 2.389 20 0 BEADHO Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1F ZINC000422800193 387699232 /nfs/dbraw/zinc/69/92/32/387699232.db2.gz ZNMKABDWVCFMIT-QWRGUYRKSA-N 1 3 224.323 2.350 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2ccccc21 ZINC000422799511 387700233 /nfs/dbraw/zinc/70/02/33/387700233.db2.gz XCEPZKVALARYFS-WDMOLILDSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@H](NC1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000238434010 387705475 /nfs/dbraw/zinc/70/54/75/387705475.db2.gz SDFAWIMHEMUDAO-AAEUAGOBSA-N 1 3 210.365 2.439 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCC1(c2ccccc2)CC1 ZINC000422808430 387708475 /nfs/dbraw/zinc/70/84/75/387708475.db2.gz LDKNQQHAVSBAAC-UONOGXRCSA-N 1 3 230.355 2.188 20 0 BEADHO CCOCc1ccccc1C[NH2+][C@H]1CCC[C@H]1N ZINC000422810803 387709239 /nfs/dbraw/zinc/70/92/39/387709239.db2.gz SMOBHGQAPZPHBP-CABCVRRESA-N 1 3 248.370 2.193 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccsc1 ZINC000422811267 387709283 /nfs/dbraw/zinc/70/92/83/387709283.db2.gz TZYBHQXODGAJQV-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccsc1 ZINC000422811267 387709289 /nfs/dbraw/zinc/70/92/89/387709289.db2.gz TZYBHQXODGAJQV-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO CCSCC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422810375 387709539 /nfs/dbraw/zinc/70/95/39/387709539.db2.gz RRVGLMSSAPTTAF-FKJOKYEKSA-N 1 3 242.432 2.391 20 0 BEADHO COCc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422812661 387710548 /nfs/dbraw/zinc/71/05/48/387710548.db2.gz YDPMDFIMESNQLB-RYUDHWBXSA-N 1 3 236.359 2.048 20 0 BEADHO CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1CN)C(C)C ZINC000422811897 387710820 /nfs/dbraw/zinc/71/08/20/387710820.db2.gz PUSGYKYYWDHIEF-BFHYXJOUSA-N 1 3 242.407 2.155 20 0 BEADHO CCO[C@H](CCN[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422814302 387711020 /nfs/dbraw/zinc/71/10/20/387711020.db2.gz UFQDSVVEBQCIBZ-MELADBBJSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC1(c2ccccc2)CC1 ZINC000422813786 387712017 /nfs/dbraw/zinc/71/20/17/387712017.db2.gz SJNODHNSEFVEQE-QWHCGFSZSA-N 1 3 232.371 2.434 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1(c2ccccc2)CC1 ZINC000422813786 387712020 /nfs/dbraw/zinc/71/20/20/387712020.db2.gz SJNODHNSEFVEQE-QWHCGFSZSA-N 1 3 232.371 2.434 20 0 BEADHO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422817836 387715321 /nfs/dbraw/zinc/71/53/21/387715321.db2.gz DXRTWTCVZKKCEA-AVGNSLFASA-N 1 3 232.371 2.376 20 0 BEADHO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422820416 387716731 /nfs/dbraw/zinc/71/67/31/387716731.db2.gz QMANJIOBHPQBHS-CYZMBNFOSA-N 1 3 242.432 2.248 20 0 BEADHO CC(C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1cccnc1 ZINC000422829114 387723736 /nfs/dbraw/zinc/72/37/36/387723736.db2.gz GYZLOLOSAIQBQD-SWLSCSKDSA-N 1 3 247.386 2.019 20 0 BEADHO CC(C)[C@@H](C[NH2+][C@@H](C)C1CNC1)c1cccnc1 ZINC000422829114 387723738 /nfs/dbraw/zinc/72/37/38/387723738.db2.gz GYZLOLOSAIQBQD-SWLSCSKDSA-N 1 3 247.386 2.019 20 0 BEADHO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000422831271 387723873 /nfs/dbraw/zinc/72/38/73/387723873.db2.gz DHLYJHJWIRAQOC-RAIGVLPGSA-N 1 3 242.432 2.248 20 0 BEADHO CCS[C@@H]1CCCC[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000422831271 387723876 /nfs/dbraw/zinc/72/38/76/387723876.db2.gz DHLYJHJWIRAQOC-RAIGVLPGSA-N 1 3 242.432 2.248 20 0 BEADHO CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422832170 387725797 /nfs/dbraw/zinc/72/57/97/387725797.db2.gz KMIMRVWONRHEPA-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO Cc1cc(F)ccc1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422849226 387734987 /nfs/dbraw/zinc/73/49/87/387734987.db2.gz BPUVUJXOHIQSLQ-KBPBESRZSA-N 1 3 236.334 2.146 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)N(C)c1ccccc1 ZINC000422856204 387741201 /nfs/dbraw/zinc/74/12/01/387741201.db2.gz FTEYQYVKLZPGSS-MJBXVCDLSA-N 1 3 249.402 2.227 20 0 BEADHO CO[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1(C)C ZINC000422856061 387742476 /nfs/dbraw/zinc/74/24/76/387742476.db2.gz WMSLSBMXFVJWDQ-MROQNXINSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccsc1 ZINC000643527937 387764880 /nfs/dbraw/zinc/76/48/80/387764880.db2.gz VULBDYDQUYAISJ-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2ccc(F)cc2)CC1 ZINC000422897169 387766901 /nfs/dbraw/zinc/76/69/01/387766901.db2.gz JGPDYIMRUPTMPB-ZIAGYGMSSA-N 1 3 248.345 2.327 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)CCc1cccc(F)c1 ZINC000643528555 387769399 /nfs/dbraw/zinc/76/93/99/387769399.db2.gz LJPLUEOYCJDFLM-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@@H](Cc1ccc(C)cc1)NC[C@H](C)[NH3+] ZINC000643528560 387769519 /nfs/dbraw/zinc/76/95/19/387769519.db2.gz LLLGZSHSIXNOJW-JSGCOSHPSA-N 1 3 220.360 2.253 20 0 BEADHO CSc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643528622 387770504 /nfs/dbraw/zinc/77/05/04/387770504.db2.gz MELTXMRCERDBPW-UWVGGRQHSA-N 1 3 224.373 2.406 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000643528120 387775333 /nfs/dbraw/zinc/77/53/33/387775333.db2.gz ZURQWIBPBRONHM-NOZJJQNGSA-N 1 3 222.307 2.140 20 0 BEADHO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)N)cc(C)c1F ZINC000643529073 387775530 /nfs/dbraw/zinc/77/55/30/387775530.db2.gz UKJONSPXGRJHEN-GHMZBOCLSA-N 1 3 224.323 2.440 20 0 BEADHO C[C@H]([NH3+])CN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000643528152 387775651 /nfs/dbraw/zinc/77/56/51/387775651.db2.gz DQOILNJGEQNNLQ-BPNCWPANSA-N 1 3 236.334 2.399 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]1C1CCCCC1 ZINC000422919661 387775898 /nfs/dbraw/zinc/77/58/98/387775898.db2.gz KTGHUBJLSMKSGY-MQYQWHSLSA-N 1 3 222.376 2.425 20 0 BEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC(C)C1 ZINC000422922234 387776912 /nfs/dbraw/zinc/77/69/12/387776912.db2.gz SGSSBYONSPPCBD-NREAYKGKSA-N 1 3 232.371 2.333 20 0 BEADHO CC(C)CC(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000422922590 387778333 /nfs/dbraw/zinc/77/83/33/387778333.db2.gz UCOAVTNUVNUXET-LLVKDONJSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H](C)C2CNC2)c(C)c1 ZINC000643457126 387779089 /nfs/dbraw/zinc/77/90/89/387779089.db2.gz YVCZMUDOIYSEQU-CQSZACIVSA-N 1 3 246.398 2.434 20 0 BEADHO Cc1ccc(CCCN[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000643457126 387779093 /nfs/dbraw/zinc/77/90/93/387779093.db2.gz YVCZMUDOIYSEQU-CQSZACIVSA-N 1 3 246.398 2.434 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000422926612 387779873 /nfs/dbraw/zinc/77/98/73/387779873.db2.gz XBQPMZCSVZZFBH-VGWMRTNUSA-N 1 3 244.382 2.335 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000422926612 387779879 /nfs/dbraw/zinc/77/98/79/387779879.db2.gz XBQPMZCSVZZFBH-VGWMRTNUSA-N 1 3 244.382 2.335 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000422925308 387779994 /nfs/dbraw/zinc/77/99/94/387779994.db2.gz ZYLPZDIALVJPQK-DMLGSKKGSA-N 1 3 233.359 2.298 20 0 BEADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1OC ZINC000422937733 387782841 /nfs/dbraw/zinc/78/28/41/387782841.db2.gz KCKWSUJGTPKFFN-LOWDOPEQSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1nc(C2CC2)cs1 ZINC000422936039 387783073 /nfs/dbraw/zinc/78/30/73/387783073.db2.gz HTHDKLFTHPVPIC-VIFPVBQESA-N 1 3 239.388 2.238 20 0 BEADHO Cc1cccc(C)c1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422945100 387785606 /nfs/dbraw/zinc/78/56/06/387785606.db2.gz UAKVLSMLBQBKPN-CABCVRRESA-N 1 3 232.371 2.315 20 0 BEADHO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422901581 387787168 /nfs/dbraw/zinc/78/71/68/387787168.db2.gz SFMUYLAIYQSEJN-CABCVRRESA-N 1 3 248.370 2.445 20 0 BEADHO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422901584 387787550 /nfs/dbraw/zinc/78/75/50/387787550.db2.gz SFMUYLAIYQSEJN-LSDHHAIUSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Oc1ccccc1 ZINC000422983011 387793704 /nfs/dbraw/zinc/79/37/04/387793704.db2.gz SDELCAPUFCGUMB-IPYPFGDCSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Oc1ccccc1 ZINC000422983011 387793709 /nfs/dbraw/zinc/79/37/09/387793709.db2.gz SDELCAPUFCGUMB-IPYPFGDCSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000422986707 387796197 /nfs/dbraw/zinc/79/61/97/387796197.db2.gz HENDSFOIGIUVQS-AGIUHOORSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000422991653 387799943 /nfs/dbraw/zinc/79/99/43/387799943.db2.gz PYPCZMNEYKYUNQ-IGQOVBAYSA-N 1 3 242.407 2.033 20 0 BEADHO c1ccc(CC2(C[NH2+]C3CCNCC3)CC2)cc1 ZINC000422998343 387804307 /nfs/dbraw/zinc/80/43/07/387804307.db2.gz PXWKCJXMSHLRGS-UHFFFAOYSA-N 1 3 244.382 2.351 20 0 BEADHO c1ccc(CC2(CNC3CC[NH2+]CC3)CC2)cc1 ZINC000422998343 387804313 /nfs/dbraw/zinc/80/43/13/387804313.db2.gz PXWKCJXMSHLRGS-UHFFFAOYSA-N 1 3 244.382 2.351 20 0 BEADHO COc1cc(C)cc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423001627 387806572 /nfs/dbraw/zinc/80/65/72/387806572.db2.gz IFLVWLNMDFMNES-NWDGAFQWSA-N 1 3 236.359 2.219 20 0 BEADHO C[C@@H](NC1(Cc2ccccc2)CCC1)C1C[NH2+]C1 ZINC000422960211 387810968 /nfs/dbraw/zinc/81/09/68/387810968.db2.gz VRVMVTGPVQISHI-CYBMUJFWSA-N 1 3 244.382 2.349 20 0 BEADHO C[C@@H]([NH2+]C1(Cc2ccccc2)CCC1)C1CNC1 ZINC000422960211 387810973 /nfs/dbraw/zinc/81/09/73/387810973.db2.gz VRVMVTGPVQISHI-CYBMUJFWSA-N 1 3 244.382 2.349 20 0 BEADHO Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)CCC[NH3+] ZINC000422958323 387811073 /nfs/dbraw/zinc/81/10/73/387811073.db2.gz PGRSCUQPZKJGAN-SMDDNHRTSA-N 1 3 248.370 2.454 20 0 BEADHO Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)CCC[NH3+] ZINC000422958321 387811290 /nfs/dbraw/zinc/81/12/90/387811290.db2.gz PGRSCUQPZKJGAN-FZMZJTMJSA-N 1 3 248.370 2.454 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CNC2)c(C)c1 ZINC000422886256 387761037 /nfs/dbraw/zinc/76/10/37/387761037.db2.gz INVWIWMMJBINOT-ZIAGYGMSSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1ccc(C[C@@H](C)N[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422886256 387761045 /nfs/dbraw/zinc/76/10/45/387761045.db2.gz INVWIWMMJBINOT-ZIAGYGMSSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1cncc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000442680653 387821126 /nfs/dbraw/zinc/82/11/26/387821126.db2.gz OACQHYKXPFHZHU-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H](NC[C@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000422972943 387821409 /nfs/dbraw/zinc/82/14/09/387821409.db2.gz NDNOJVJOBZDDPZ-HZSPNIEDSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)[C@@H]1CCCNC1 ZINC000643460327 387874841 /nfs/dbraw/zinc/87/48/41/387874841.db2.gz QETXPBFUVAMGQW-UMVBOHGHSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423008701 387832271 /nfs/dbraw/zinc/83/22/71/387832271.db2.gz UDEMXTDHNINPCA-BZPMIXESSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423008701 387832276 /nfs/dbraw/zinc/83/22/76/387832276.db2.gz UDEMXTDHNINPCA-BZPMIXESSA-N 1 3 236.359 2.188 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423011496 387833833 /nfs/dbraw/zinc/83/38/33/387833833.db2.gz IXEBCGRZMQVUEW-YIFLHPOLSA-N 1 3 222.376 2.284 20 0 BEADHO Cc1ccc(CC[C@H](C)N[C@H](C)C2C[NH2+]C2)o1 ZINC000423009905 387833902 /nfs/dbraw/zinc/83/39/02/387833902.db2.gz WJZPCNHYAWHOJB-CMPLNLGQSA-N 1 3 236.359 2.107 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C2CNC2)o1 ZINC000423009905 387833903 /nfs/dbraw/zinc/83/39/03/387833903.db2.gz WJZPCNHYAWHOJB-CMPLNLGQSA-N 1 3 236.359 2.107 20 0 BEADHO Cc1ccc(CC[C@H](C)N[C@@H](C)C2C[NH2+]C2)o1 ZINC000423009906 387834169 /nfs/dbraw/zinc/83/41/69/387834169.db2.gz WJZPCNHYAWHOJB-JQWIXIFHSA-N 1 3 236.359 2.107 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C2CNC2)o1 ZINC000423009906 387834173 /nfs/dbraw/zinc/83/41/73/387834173.db2.gz WJZPCNHYAWHOJB-JQWIXIFHSA-N 1 3 236.359 2.107 20 0 BEADHO COCCCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754965 387835165 /nfs/dbraw/zinc/83/51/65/387835165.db2.gz JEYNPOQYQZFSAJ-PBWFPOADSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761482 387835504 /nfs/dbraw/zinc/83/55/04/387835504.db2.gz XMFMDXJKCRRKNW-PBWFPOADSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1cccnc1)C1CC1 ZINC000423011997 387836414 /nfs/dbraw/zinc/83/64/14/387836414.db2.gz JXHZEORHWGZIQK-COPLHBTASA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)CSCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423012189 387836557 /nfs/dbraw/zinc/83/65/57/387836557.db2.gz KGAXVWBRZURPLX-OLZOCXBDSA-N 1 3 244.448 2.483 20 0 BEADHO Cc1ccsc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423015006 387838964 /nfs/dbraw/zinc/83/89/64/387838964.db2.gz JVAZFKSSVDVEKB-NEPJUHHUSA-N 1 3 238.400 2.316 20 0 BEADHO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423015009 387839276 /nfs/dbraw/zinc/83/92/76/387839276.db2.gz JVAZFKSSVDVEKB-VXGBXAGGSA-N 1 3 238.400 2.316 20 0 BEADHO C[C@@H](NC[C@@H](C)c1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000643460327 387874846 /nfs/dbraw/zinc/87/48/46/387874846.db2.gz QETXPBFUVAMGQW-UMVBOHGHSA-N 1 3 247.386 2.163 20 0 BEADHO COCC[C@@H](N[C@H](C)CCC[NH3+])c1ccco1 ZINC000423041779 387854564 /nfs/dbraw/zinc/85/45/64/387854564.db2.gz JTAKCNVTJKNPEH-VXGBXAGGSA-N 1 3 240.347 2.074 20 0 BEADHO C[C@@H](CN[C@H]1CC[NH2+]CC[C@H]1C)C(F)(F)F ZINC000423052053 387859550 /nfs/dbraw/zinc/85/95/50/387859550.db2.gz OYUHSVCZIIFHOA-UTLUCORTSA-N 1 3 238.297 2.163 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)CC(F)(F)F ZINC000423052976 387859703 /nfs/dbraw/zinc/85/97/03/387859703.db2.gz RQFZUBHUBXPZGM-RNJXMRFFSA-N 1 3 212.259 2.043 20 0 BEADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423056963 387862931 /nfs/dbraw/zinc/86/29/31/387862931.db2.gz YMNWYHWVEPYEAV-OPRDCNLKSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)C(F)(F)F ZINC000423056963 387862934 /nfs/dbraw/zinc/86/29/34/387862934.db2.gz YMNWYHWVEPYEAV-OPRDCNLKSA-N 1 3 238.297 2.292 20 0 BEADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423057708 387864423 /nfs/dbraw/zinc/86/44/23/387864423.db2.gz ZSFJTIPKNCSAOB-NSOMQSSYSA-N 1 3 246.354 2.048 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423062022 387867253 /nfs/dbraw/zinc/86/72/53/387867253.db2.gz MCRDBOLXOMYKBQ-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)[C@@H]1CCCN1 ZINC000423062022 387867257 /nfs/dbraw/zinc/86/72/57/387867257.db2.gz MCRDBOLXOMYKBQ-RNJOBUHISA-N 1 3 210.365 2.295 20 0 BEADHO CO[C@H](C)[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423064975 387867405 /nfs/dbraw/zinc/86/74/05/387867405.db2.gz AKZUMSHHSGBLFG-FQUUOJAGSA-N 1 3 242.407 2.310 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423071104 387871228 /nfs/dbraw/zinc/87/12/28/387871228.db2.gz OANSKVKGXCEOGC-GZZJDILISA-N 1 3 234.343 2.144 20 0 BEADHO C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)C1C[NH2+]C1 ZINC000422967321 387815918 /nfs/dbraw/zinc/81/59/18/387815918.db2.gz OXHLIPJOIHVFCD-WHOFXGATSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CNC1 ZINC000422967321 387815920 /nfs/dbraw/zinc/81/59/20/387815920.db2.gz OXHLIPJOIHVFCD-WHOFXGATSA-N 1 3 230.355 2.130 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422966940 387816467 /nfs/dbraw/zinc/81/64/67/387816467.db2.gz AXDVNSXROLPEIZ-UONOGXRCSA-N 1 3 248.370 2.042 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccccc1O ZINC000422966940 387816473 /nfs/dbraw/zinc/81/64/73/387816473.db2.gz AXDVNSXROLPEIZ-UONOGXRCSA-N 1 3 248.370 2.042 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCC1=CCCCC1 ZINC000422968401 387818588 /nfs/dbraw/zinc/81/85/88/387818588.db2.gz WSPVZXIUMCHGDX-OCCSQVGLSA-N 1 3 222.376 2.465 20 0 BEADHO CC(C)=CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423072203 387872799 /nfs/dbraw/zinc/87/27/99/387872799.db2.gz PIQQGTBSPIMUHB-FUNVUKJBSA-N 1 3 208.349 2.215 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(C(F)(F)F)CC1 ZINC000423102276 387890050 /nfs/dbraw/zinc/89/00/50/387890050.db2.gz DVDKHOVYTBPBRO-HTQZYQBOSA-N 1 3 224.270 2.044 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)[C@H]1CCCNC1 ZINC000423110189 387892699 /nfs/dbraw/zinc/89/26/99/387892699.db2.gz OTBOSISQXQQYRC-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccncc1 ZINC000643460392 387875182 /nfs/dbraw/zinc/87/51/82/387875182.db2.gz YUNBEFQZZJMEBC-BPLDGKMQSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)c1ccncc1 ZINC000643460394 387875206 /nfs/dbraw/zinc/87/52/06/387875206.db2.gz YUNBEFQZZJMEBC-VHDGCEQUSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccncc1 ZINC000643460296 387875423 /nfs/dbraw/zinc/87/54/23/387875423.db2.gz NDMCWUSBDJAMGC-GUTXKFCHSA-N 1 3 247.386 2.163 20 0 BEADHO CCC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423076297 387876346 /nfs/dbraw/zinc/87/63/46/387876346.db2.gz QTMUIJWYCQLTQO-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000423078796 387876845 /nfs/dbraw/zinc/87/68/45/387876845.db2.gz WTYLAYKIQWWARP-GHMZBOCLSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@H](Cc1cccs1)NC[C@@H]([NH3+])CC ZINC000643540332 387880768 /nfs/dbraw/zinc/88/07/68/387880768.db2.gz YNBYXVSRFRSLJN-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1cccs1 ZINC000643540248 387881098 /nfs/dbraw/zinc/88/10/98/387881098.db2.gz LJBQMNUNXBDCIC-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1(C)CC1 ZINC000423087948 387881547 /nfs/dbraw/zinc/88/15/47/387881547.db2.gz QPSYKTLJDLLBHB-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1ccccc1F ZINC000423095430 387885377 /nfs/dbraw/zinc/88/53/77/387885377.db2.gz MDLLCPIJBMXXPA-NEPJUHHUSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1ccccc1F ZINC000423095430 387885381 /nfs/dbraw/zinc/88/53/81/387885381.db2.gz MDLLCPIJBMXXPA-NEPJUHHUSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1C(C)(C)C1(C)C ZINC000423098910 387886678 /nfs/dbraw/zinc/88/66/78/387886678.db2.gz SXYGHVGSWXHETB-VHSXEESVSA-N 1 3 212.381 2.384 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1C(C)(C)C1(C)C ZINC000423098908 387886744 /nfs/dbraw/zinc/88/67/44/387886744.db2.gz SXYGHVGSWXHETB-NXEZZACHSA-N 1 3 212.381 2.384 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423098109 387887426 /nfs/dbraw/zinc/88/74/26/387887426.db2.gz KGFUOJPHXGRNSK-SYQHCUMBSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cccc(CCC[NH2+][C@H](C)C[C@H](C)N)n1 ZINC000423098471 387888017 /nfs/dbraw/zinc/88/80/17/387888017.db2.gz CTWFEXJYUYMZJC-WCQYABFASA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccc(CCCN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000423098471 387888019 /nfs/dbraw/zinc/88/80/19/387888019.db2.gz CTWFEXJYUYMZJC-WCQYABFASA-N 1 3 235.375 2.038 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCC1(C(F)(F)F)CC1 ZINC000423104182 387888960 /nfs/dbraw/zinc/88/89/60/387888960.db2.gz GUVDPRPIQRCVPG-IUCAKERBSA-N 1 3 236.281 2.046 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423104182 387888964 /nfs/dbraw/zinc/88/89/64/387888964.db2.gz GUVDPRPIQRCVPG-IUCAKERBSA-N 1 3 236.281 2.046 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423141114 387917937 /nfs/dbraw/zinc/91/79/37/387917937.db2.gz OANSKVKGXCEOGC-DMTCVQMQSA-N 1 3 234.343 2.144 20 0 BEADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423116074 387899471 /nfs/dbraw/zinc/89/94/71/387899471.db2.gz ZKTSEQGCBFSHDM-HGCLJGPKSA-N 1 3 244.329 2.150 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423121493 387901587 /nfs/dbraw/zinc/90/15/87/387901587.db2.gz INSHYGMRFVLSBC-OLZOCXBDSA-N 1 3 242.407 2.156 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@@H](C)C[C@H](C)N ZINC000423122565 387902155 /nfs/dbraw/zinc/90/21/55/387902155.db2.gz JZTCLLIKSXBSCB-RYUDHWBXSA-N 1 3 230.396 2.155 20 0 BEADHO CCc1noc(C)c1CN[C@H](C)CCCC[NH3+] ZINC000423130221 387907610 /nfs/dbraw/zinc/90/76/10/387907610.db2.gz GDUYNBZMEUNGHH-SNVBAGLBSA-N 1 3 239.363 2.153 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423129215 387907946 /nfs/dbraw/zinc/90/79/46/387907946.db2.gz QWFFHISOUWFSEM-NDBYEHHHSA-N 1 3 228.355 2.387 20 0 BEADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CC(C(C)(C)C)C1 ZINC000423131757 387908866 /nfs/dbraw/zinc/90/88/66/387908866.db2.gz IKXRHERYUJERJL-WTIISPKJSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc21)C1CNC1 ZINC000423142709 387919568 /nfs/dbraw/zinc/91/95/68/387919568.db2.gz BHJMHTCIGBJTLS-OCCSQVGLSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H](NCC[C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000423142709 387919572 /nfs/dbraw/zinc/91/95/72/387919572.db2.gz BHJMHTCIGBJTLS-OCCSQVGLSA-N 1 3 244.382 2.304 20 0 BEADHO COCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCCC1 ZINC000423134761 387912447 /nfs/dbraw/zinc/91/24/47/387912447.db2.gz FHDUTIUQXGPHAP-CHWSQXEVSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H](F)CC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423138787 387916606 /nfs/dbraw/zinc/91/66/06/387916606.db2.gz UBXXCPPYMNLVJJ-XDTLVQLUSA-N 1 3 222.307 2.469 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423151928 387929407 /nfs/dbraw/zinc/92/94/07/387929407.db2.gz KWJHBJWTSQHKAK-OLZOCXBDSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccnc1CCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423151928 387929411 /nfs/dbraw/zinc/92/94/11/387929411.db2.gz KWJHBJWTSQHKAK-OLZOCXBDSA-N 1 3 235.375 2.038 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423151609 387930606 /nfs/dbraw/zinc/93/06/06/387930606.db2.gz KEVQUXBTRQEDEP-XDQVBPFNSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423157745 387936314 /nfs/dbraw/zinc/93/63/14/387936314.db2.gz BPYKBGMJXQBWJU-XUXIUFHCSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCN1 ZINC000423157745 387936319 /nfs/dbraw/zinc/93/63/19/387936319.db2.gz BPYKBGMJXQBWJU-XUXIUFHCSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](NC[C@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000423143331 387920571 /nfs/dbraw/zinc/92/05/71/387920571.db2.gz CQHQIUKZQJUQPY-JQWIXIFHSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CSc2ccccc21)C1CNC1 ZINC000423143331 387920574 /nfs/dbraw/zinc/92/05/74/387920574.db2.gz CQHQIUKZQJUQPY-JQWIXIFHSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc21)C1CNC1 ZINC000423142708 387921307 /nfs/dbraw/zinc/92/13/07/387921307.db2.gz BHJMHTCIGBJTLS-JSGCOSHPSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@H](NCC[C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000423142708 387921310 /nfs/dbraw/zinc/92/13/10/387921310.db2.gz BHJMHTCIGBJTLS-JSGCOSHPSA-N 1 3 244.382 2.304 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000423145451 387922197 /nfs/dbraw/zinc/92/21/97/387922197.db2.gz KROIIFBEYNSCBR-YFKTTZPYSA-N 1 3 214.328 2.127 20 0 BEADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccn1 ZINC000423147902 387924235 /nfs/dbraw/zinc/92/42/35/387924235.db2.gz TXOAIOBHDUJTHJ-QWHCGFSZSA-N 1 3 247.386 2.076 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000423147902 387924239 /nfs/dbraw/zinc/92/42/39/387924239.db2.gz TXOAIOBHDUJTHJ-QWHCGFSZSA-N 1 3 247.386 2.076 20 0 BEADHO C1[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1C1CCC1 ZINC000424199039 387926914 /nfs/dbraw/zinc/92/69/14/387926914.db2.gz PQURWEDGUAXOBI-ZQDZILKHSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C1CCC1 ZINC000424199039 387926919 /nfs/dbraw/zinc/92/69/19/387926919.db2.gz PQURWEDGUAXOBI-ZQDZILKHSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000423150126 387927736 /nfs/dbraw/zinc/92/77/36/387927736.db2.gz IDHWOQQVYMLGDS-XUXIUFHCSA-N 1 3 242.407 2.153 20 0 BEADHO CN(CC1=CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000645807751 387954528 /nfs/dbraw/zinc/95/45/28/387954528.db2.gz AFSGITWSKYHKDT-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CN(CC1=CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000645807751 387954533 /nfs/dbraw/zinc/95/45/33/387954533.db2.gz AFSGITWSKYHKDT-AWEZNQCLSA-N 1 3 222.376 2.370 20 0 BEADHO CC[C@H](C)[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423159423 387940948 /nfs/dbraw/zinc/94/09/48/387940948.db2.gz PFKPXIIYTDIFNH-CRWXNKLISA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)OC ZINC000423159423 387940953 /nfs/dbraw/zinc/94/09/53/387940953.db2.gz PFKPXIIYTDIFNH-CRWXNKLISA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@H]([NH2+][C@H](C)C1CNC1)C1CCCC1 ZINC000423162464 387943737 /nfs/dbraw/zinc/94/37/37/387943737.db2.gz PILCVAHVKMSHSI-MFKMUULPSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423164139 387945745 /nfs/dbraw/zinc/94/57/45/387945745.db2.gz OBTYGBBOWUCXMG-WDEREUQCSA-N 1 3 232.318 2.139 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1C[C@H]1C ZINC000321136878 387951015 /nfs/dbraw/zinc/95/10/15/387951015.db2.gz UOZJOBLZKFHOBI-RNJOBUHISA-N 1 3 212.381 2.208 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1C[C@H]1C ZINC000321136877 387951279 /nfs/dbraw/zinc/95/12/79/387951279.db2.gz UOZJOBLZKFHOBI-LOWDOPEQSA-N 1 3 212.381 2.208 20 0 BEADHO C[C@H]([NH2+]C1(C2CCC2)CCC1)[C@@H]1CCCN1 ZINC000423172668 387959020 /nfs/dbraw/zinc/95/90/20/387959020.db2.gz UPZLVGGQCCFCFS-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C2CCNCC2)c(C)c1 ZINC000423177015 387961312 /nfs/dbraw/zinc/96/13/12/387961312.db2.gz DKQJCCUOSFBYKZ-GFCCVEGCSA-N 1 3 248.370 2.406 20 0 BEADHO C1CC1[C@@H]([NH2+]C1CCNCC1)C1CCCC1 ZINC000423176714 387961677 /nfs/dbraw/zinc/96/16/77/387961677.db2.gz CTYIWTCSHFJLJE-AWEZNQCLSA-N 1 3 222.376 2.297 20 0 BEADHO C1CC1[C@H]([NH2+]C1CCNCC1)C1CCCC1 ZINC000423176715 387961893 /nfs/dbraw/zinc/96/18/93/387961893.db2.gz CTYIWTCSHFJLJE-CQSZACIVSA-N 1 3 222.376 2.297 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000423180884 387965966 /nfs/dbraw/zinc/96/59/66/387965966.db2.gz KQSVPWGASAJAKJ-FVCCEPFGSA-N 1 3 228.355 2.374 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423180558 387966163 /nfs/dbraw/zinc/96/61/63/387966163.db2.gz FFIKPTSZOWRXDZ-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCNCC1 ZINC000423184629 387968965 /nfs/dbraw/zinc/96/89/65/387968965.db2.gz MJMGEOKUXGKGHY-DOMZBBRYSA-N 1 3 248.370 2.104 20 0 BEADHO NCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000423193919 387979141 /nfs/dbraw/zinc/97/91/41/387979141.db2.gz QZVOJWFFACVTDQ-ZIAGYGMSSA-N 1 3 218.344 2.261 20 0 BEADHO Cc1cccc(C[C@@H]([NH2+]CCCN)C2CC2)c1 ZINC000423196630 387981225 /nfs/dbraw/zinc/98/12/25/387981225.db2.gz VTEPUSLKSHCMOG-OAHLLOKOSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)c1cccnc1 ZINC000423189910 387973793 /nfs/dbraw/zinc/97/37/93/387973793.db2.gz RMIIAMPXRKVELC-VXGBXAGGSA-N 1 3 235.375 2.075 20 0 BEADHO C[C@@H](NCC[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000423190174 387975443 /nfs/dbraw/zinc/97/54/43/387975443.db2.gz SBTXYYAFDGZOHH-VHSXEESVSA-N 1 3 226.751 2.380 20 0 BEADHO [NH3+][C@@H]1CCCC[C@H]1NCCCOc1ccccc1 ZINC000424329517 387975670 /nfs/dbraw/zinc/97/56/70/387975670.db2.gz GQOSJNBJNJQLKM-HUUCEWRRSA-N 1 3 248.370 2.315 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccncc1 ZINC000424334279 387978134 /nfs/dbraw/zinc/97/81/34/387978134.db2.gz NSHWKZIDDKHHMB-CYZMBNFOSA-N 1 3 219.332 2.002 20 0 BEADHO CC(C)=CCC[C@@H](C)N[C@@H]1CCC[NH2+]C1 ZINC000423192140 387978203 /nfs/dbraw/zinc/97/82/03/387978203.db2.gz PNYDHRXVCVLODA-CHWSQXEVSA-N 1 3 210.365 2.463 20 0 BEADHO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424334692 387978430 /nfs/dbraw/zinc/97/84/30/387978430.db2.gz NXYDZPDFAJHEJX-HUUCEWRRSA-N 1 3 248.370 2.233 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCNC ZINC000423201625 387987404 /nfs/dbraw/zinc/98/74/04/387987404.db2.gz PFNCVMVJSMDBDX-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423201884 387987715 /nfs/dbraw/zinc/98/77/15/387987715.db2.gz QDTTVSTUNYNGIA-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCNC ZINC000423201627 387988178 /nfs/dbraw/zinc/98/81/78/387988178.db2.gz PFNCVMVJSMDBDX-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423206405 387991131 /nfs/dbraw/zinc/99/11/31/387991131.db2.gz WSTMJOBANMTMKE-NWDGAFQWSA-N 1 3 216.344 2.104 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423204736 387991365 /nfs/dbraw/zinc/99/13/65/387991365.db2.gz DQAUTQNQFMKAAC-MELADBBJSA-N 1 3 242.382 2.494 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1CC1(C)C ZINC000423212297 387995113 /nfs/dbraw/zinc/99/51/13/387995113.db2.gz IAOWMHFYQDPLRM-LOWDOPEQSA-N 1 3 224.392 2.399 20 0 BEADHO [NH3+]CCCN[C@@H]1CCCc2cc(F)ccc21 ZINC000423196873 387982087 /nfs/dbraw/zinc/98/20/87/387982087.db2.gz WTOHAXPTHIOTSA-CYBMUJFWSA-N 1 3 222.307 2.142 20 0 BEADHO CNCCC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000423197965 387983614 /nfs/dbraw/zinc/98/36/14/387983614.db2.gz CHFNBTQGUQHVLB-SNVBAGLBSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@H](CCC[NH3+])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424375325 387998749 /nfs/dbraw/zinc/99/87/49/387998749.db2.gz MUJJTVOLNUKRQD-MRVWCRGKSA-N 1 3 236.334 2.341 20 0 BEADHO C[C@H](N)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000423222345 388001783 /nfs/dbraw/zinc/00/17/83/388001783.db2.gz AREDPJFLRUXRMC-JTQLQIEISA-N 1 3 210.365 2.282 20 0 BEADHO Cc1cccc([C@@H](C)NCC[C@H](C)[NH3+])c1 ZINC000423223821 388006510 /nfs/dbraw/zinc/00/65/10/388006510.db2.gz ATBWMVSSSGTMMJ-NWDGAFQWSA-N 1 3 206.333 2.383 20 0 BEADHO CCCCO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423225232 388008102 /nfs/dbraw/zinc/00/81/02/388008102.db2.gz LURWZBYMPMUOIV-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO CCCCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423225232 388008110 /nfs/dbraw/zinc/00/81/10/388008110.db2.gz LURWZBYMPMUOIV-RWMBFGLXSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H]([NH2+]CC[C@H](C)N)C1C(C)(C)C1(C)C ZINC000423226318 388009314 /nfs/dbraw/zinc/00/93/14/388009314.db2.gz QGINQTLUWZPOLH-VHSXEESVSA-N 1 3 212.381 2.384 20 0 BEADHO C([NH2+][C@H]1CC[C@H]1C1CCC1)[C@@H]1CCCNC1 ZINC000423212708 387996164 /nfs/dbraw/zinc/99/61/64/387996164.db2.gz MCPMCXJWYBQNBR-XBFCOCLRSA-N 1 3 222.376 2.154 20 0 BEADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1C ZINC000424372588 387996273 /nfs/dbraw/zinc/99/62/73/387996273.db2.gz WUUQCGYXIZPCEJ-ZIAGYGMSSA-N 1 3 248.370 2.363 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424372769 387996564 /nfs/dbraw/zinc/99/65/64/387996564.db2.gz HLBQDHXIWJQNFE-UNQGMJICSA-N 1 3 236.403 2.400 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424372767 387996747 /nfs/dbraw/zinc/99/67/47/387996747.db2.gz HLBQDHXIWJQNFE-CYUUQNCZSA-N 1 3 236.403 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000423240452 388024063 /nfs/dbraw/zinc/02/40/63/388024063.db2.gz GXPISTKSAPNJLK-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H](CCC(C)C)C1CC1 ZINC000423240876 388024270 /nfs/dbraw/zinc/02/42/70/388024270.db2.gz UEMJCOUXLLSLRB-ZDUSSCGKSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccsc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423242645 388026230 /nfs/dbraw/zinc/02/62/30/388026230.db2.gz ZELDGTAMJIAXNH-VHSXEESVSA-N 1 3 212.362 2.444 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423228337 388012725 /nfs/dbraw/zinc/01/27/25/388012725.db2.gz ZEQNLSKULSSMPR-STQMWFEESA-N 1 3 235.375 2.120 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423243447 388026252 /nfs/dbraw/zinc/02/62/52/388026252.db2.gz WNMNJRBDSQDEOT-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000423243447 388026257 /nfs/dbraw/zinc/02/62/57/388026257.db2.gz WNMNJRBDSQDEOT-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCc2c1cccc2F ZINC000423227836 388013122 /nfs/dbraw/zinc/01/31/22/388013122.db2.gz XFVPATGRADQKJO-ZANVPECISA-N 1 3 222.307 2.140 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCCc2ccccc21 ZINC000423231775 388016578 /nfs/dbraw/zinc/01/65/78/388016578.db2.gz LTVILMMBWLFMMR-FZMZJTMJSA-N 1 3 218.344 2.391 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@H](C(C)C)C1 ZINC000423231927 388016639 /nfs/dbraw/zinc/01/66/39/388016639.db2.gz HMDARNNJVIZZHM-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@H](C(C)C)C1 ZINC000423231926 388016807 /nfs/dbraw/zinc/01/68/07/388016807.db2.gz HMDARNNJVIZZHM-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccccc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423233780 388019478 /nfs/dbraw/zinc/01/94/78/388019478.db2.gz OTIHKHMWBCJECR-NWDGAFQWSA-N 1 3 206.333 2.383 20 0 BEADHO CC[NH2+]CCN[C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423236575 388021670 /nfs/dbraw/zinc/02/16/70/388021670.db2.gz OGVRIXJFZAWJEZ-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)c1ccncc1 ZINC000453241492 388021929 /nfs/dbraw/zinc/02/19/29/388021929.db2.gz PJLHOCKFMXGCPR-JSGCOSHPSA-N 1 3 235.375 2.320 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccncc1 ZINC000453241489 388022338 /nfs/dbraw/zinc/02/23/38/388022338.db2.gz PJLHOCKFMXGCPR-GXTWGEPZSA-N 1 3 235.375 2.320 20 0 BEADHO COc1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423239697 388022712 /nfs/dbraw/zinc/02/27/12/388022712.db2.gz WJVABARUNNBHSE-QWRGUYRKSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1NC[C@H]1CCC[NH2+]1 ZINC000423239574 388022790 /nfs/dbraw/zinc/02/27/90/388022790.db2.gz SHILLKFPUJWPMD-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCCN1 ZINC000423239574 388022791 /nfs/dbraw/zinc/02/27/91/388022791.db2.gz SHILLKFPUJWPMD-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CNC)[C@@H]1CC1(C)C ZINC000423255731 388036718 /nfs/dbraw/zinc/03/67/18/388036718.db2.gz APZNKWMKLRQBJB-SRVKXCTJSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cccs1 ZINC000423264269 388041689 /nfs/dbraw/zinc/04/16/89/388041689.db2.gz PSELINBPAPZJCZ-NXEZZACHSA-N 1 3 212.362 2.382 20 0 BEADHO CCc1ccc([C@@H](C)NCC[C@@H]2CC[NH2+]C2)o1 ZINC000423243589 388026615 /nfs/dbraw/zinc/02/66/15/388026615.db2.gz GQUNFXLFCYNUED-NEPJUHHUSA-N 1 3 236.359 2.492 20 0 BEADHO CC[NH2+]CCN[C@H](C)C1C(C)(C)C1(C)C ZINC000423242943 388026834 /nfs/dbraw/zinc/02/68/34/388026834.db2.gz JRTMJTDOBOJRAF-SNVBAGLBSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1 ZINC000423246599 388030398 /nfs/dbraw/zinc/03/03/98/388030398.db2.gz ZLXZRTDVJCNFPO-OLZOCXBDSA-N 1 3 210.365 2.463 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000423273272 388053240 /nfs/dbraw/zinc/05/32/40/388053240.db2.gz KNOLHKKIHJPQJX-QJPTWQEYSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000423276146 388056305 /nfs/dbraw/zinc/05/63/05/388056305.db2.gz OFDNJCZWQMEMAT-SDDRHHMPSA-N 1 3 212.381 2.256 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](N)C(C)C ZINC000423277447 388058118 /nfs/dbraw/zinc/05/81/18/388058118.db2.gz PPSBXRKOBQRMKY-UONOGXRCSA-N 1 3 248.370 2.255 20 0 BEADHO CCC1CC([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423277797 388058811 /nfs/dbraw/zinc/05/88/11/388058811.db2.gz OSSYDZKVWVZAKJ-PYNQCMFNSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N)s1 ZINC000261527547 135152183 /nfs/dbraw/zinc/15/21/83/135152183.db2.gz COIJIQJIMNYMAB-VIFPVBQESA-N 1 3 212.362 2.444 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423283117 388065052 /nfs/dbraw/zinc/06/50/52/388065052.db2.gz XFRSNHLYAAVQPN-RISCZKNCSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@H]1C[C@H]1C ZINC000423285228 388068316 /nfs/dbraw/zinc/06/83/16/388068316.db2.gz YBASZRXTOPYMDA-QNWJLWSRSA-N 1 3 210.365 2.138 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+]CC(C)(C)N ZINC000423286285 388071191 /nfs/dbraw/zinc/07/11/91/388071191.db2.gz GKPYGOTYKLBCLK-VIFPVBQESA-N 1 3 212.362 2.444 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N)CCC2 ZINC000423290210 388074046 /nfs/dbraw/zinc/07/40/46/388074046.db2.gz ZOYZEUGWVVTTIB-CQSZACIVSA-N 1 3 248.370 2.400 20 0 BEADHO CCO[C@H]1C[C@@H](NCC(C)(C)[NH3+])C12CCCC2 ZINC000423289593 388074576 /nfs/dbraw/zinc/07/45/76/388074576.db2.gz XUQKDOFLRKUHPN-NEPJUHHUSA-N 1 3 240.391 2.051 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000084217748 388075272 /nfs/dbraw/zinc/07/52/72/388075272.db2.gz ADVNANUONCYZQX-AAEUAGOBSA-N 1 3 222.307 2.043 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000423294442 388076895 /nfs/dbraw/zinc/07/68/95/388076895.db2.gz BYUKXNVXSJSLGB-NEPJUHHUSA-N 1 3 232.371 2.421 20 0 BEADHO c1cc2c(s1)CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000084384479 388077320 /nfs/dbraw/zinc/07/73/20/388077320.db2.gz BDLVZPQVRPNTPG-LLVKDONJSA-N 1 3 236.384 2.106 20 0 BEADHO c1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000084385684 388077797 /nfs/dbraw/zinc/07/77/97/388077797.db2.gz IMURBVYVXGBTRE-LBPRGKRZSA-N 1 3 216.328 2.002 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423297489 388080110 /nfs/dbraw/zinc/08/01/10/388080110.db2.gz KNBIJURYJRTRNM-FZMZJTMJSA-N 1 3 236.359 2.331 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC1(C)C ZINC000336658814 388080183 /nfs/dbraw/zinc/08/01/83/388080183.db2.gz BGFNFGGZFFWHCA-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[N@H+](CCCCNCc1ccccn1)C1CC1 ZINC000453590074 388087227 /nfs/dbraw/zinc/08/72/27/388087227.db2.gz AFXAEPVUWILSCC-UHFFFAOYSA-N 1 3 233.359 2.046 20 0 BEADHO C[N@@H+](CCCCNCc1ccccn1)C1CC1 ZINC000453590074 388087231 /nfs/dbraw/zinc/08/72/31/388087231.db2.gz AFXAEPVUWILSCC-UHFFFAOYSA-N 1 3 233.359 2.046 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(F)cc2)C1 ZINC000086401984 388101632 /nfs/dbraw/zinc/10/16/32/388101632.db2.gz DUWYZRDMEYIYJF-OLZOCXBDSA-N 1 3 222.307 2.185 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494431 388103804 /nfs/dbraw/zinc/10/38/04/388103804.db2.gz AWTLYUULITXOEX-XQHKEYJVSA-N 1 3 222.376 2.295 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000423269136 388047093 /nfs/dbraw/zinc/04/70/93/388047093.db2.gz GSHSMNARHZMQGW-NDBYEHHHSA-N 1 3 212.381 2.256 20 0 BEADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](N)C(C)C)c1 ZINC000423269283 388047536 /nfs/dbraw/zinc/04/75/36/388047536.db2.gz VWWJWDQUGODBCT-BXUZGUMPSA-N 1 3 236.359 2.329 20 0 BEADHO CCC1(CC)[C@H](NC[C@H](C)C[NH2+]C)C[C@@H]1OC ZINC000423268705 388047887 /nfs/dbraw/zinc/04/78/87/388047887.db2.gz GGLDMSWZTQKQCD-UPJWGTAASA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H]([NH2+]C[C@H](C)CNC)C[C@@H]1OC ZINC000423268705 388047891 /nfs/dbraw/zinc/04/78/91/388047891.db2.gz GGLDMSWZTQKQCD-UPJWGTAASA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000324875045 388125858 /nfs/dbraw/zinc/12/58/58/388125858.db2.gz CPDSLZNPEKIOKM-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000449095306 388141384 /nfs/dbraw/zinc/14/13/84/388141384.db2.gz XQSKYQIGFNPCGJ-UPJWGTAASA-N 1 3 242.432 2.059 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](CCO)C(C)(C)C ZINC000191822529 388254663 /nfs/dbraw/zinc/25/46/63/388254663.db2.gz DUXXPCUFABYOLQ-ZDUSSCGKSA-N 1 3 244.423 2.105 20 0 BEADHO Cc1nocc1CNC(C)(C)CCC[NH+](C)C ZINC000449529278 388225541 /nfs/dbraw/zinc/22/55/41/388225541.db2.gz WBCKXRHIBVYJSX-UHFFFAOYSA-N 1 3 239.363 2.193 20 0 BEADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1nccs1 ZINC000336662362 388260164 /nfs/dbraw/zinc/26/01/64/388260164.db2.gz CKAAWGCLKWEHFE-UWVGGRQHSA-N 1 3 227.377 2.311 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164657937 388242497 /nfs/dbraw/zinc/24/24/97/388242497.db2.gz JFLMCKHONSKUBU-RWMBFGLXSA-N 1 3 212.381 2.339 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164657937 388242500 /nfs/dbraw/zinc/24/25/00/388242500.db2.gz JFLMCKHONSKUBU-RWMBFGLXSA-N 1 3 212.381 2.339 20 0 BEADHO CCC[NH+]1CCC(NCCSCC)CC1 ZINC000164832409 388248073 /nfs/dbraw/zinc/24/80/73/388248073.db2.gz XWBKWTHQRZNRBG-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000086403866 388347913 /nfs/dbraw/zinc/34/79/13/388347913.db2.gz LBVQOGFBKHIEDX-XQQFMLRXSA-N 1 3 208.349 2.202 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H](C)C[C@@H](C)N)cn1 ZINC000572721726 388370942 /nfs/dbraw/zinc/37/09/42/388370942.db2.gz BVONCVDYMLCBQJ-DGCLKSJQSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1ccc(CCCN[C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000572721726 388370943 /nfs/dbraw/zinc/37/09/43/388370943.db2.gz BVONCVDYMLCBQJ-DGCLKSJQSA-N 1 3 235.375 2.038 20 0 BEADHO CCNCCC[NH2+]C1CCC2(CC2)CC1 ZINC000572749253 388373810 /nfs/dbraw/zinc/37/38/10/388373810.db2.gz MUBGTIGBJRYWFJ-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300799601 388394616 /nfs/dbraw/zinc/39/46/16/388394616.db2.gz CTRMBHOSIKMXJO-OUAUKWLOSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300799601 388394617 /nfs/dbraw/zinc/39/46/17/388394617.db2.gz CTRMBHOSIKMXJO-OUAUKWLOSA-N 1 3 232.318 2.091 20 0 BEADHO CCC(C)(C)OCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000308550698 388442543 /nfs/dbraw/zinc/44/25/43/388442543.db2.gz WONAKGMROFODTE-STQMWFEESA-N 1 3 242.407 2.264 20 0 BEADHO CCC(C)(C)OCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000308550698 388442545 /nfs/dbraw/zinc/44/25/45/388442545.db2.gz WONAKGMROFODTE-STQMWFEESA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@@H]([NH2+]CCOCCN(C)C)C1CCC1 ZINC000322715989 388444532 /nfs/dbraw/zinc/44/45/32/388444532.db2.gz RYISLPVHCMCTCX-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCCN[C@@H]2C)c1 ZINC000335641679 388453066 /nfs/dbraw/zinc/45/30/66/388453066.db2.gz CVLVZRKAYMDAKE-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO CCOc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336705562 388465093 /nfs/dbraw/zinc/46/50/93/388465093.db2.gz LCOPWXNACSVPQR-RYUDHWBXSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H]1C[C@H](NCCC[NH3+])c2ccccc21 ZINC000336719746 388468086 /nfs/dbraw/zinc/46/80/86/388468086.db2.gz ZCMVZNSAVOSVEX-MFKMUULPSA-N 1 3 204.317 2.173 20 0 BEADHO C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725145 388469542 /nfs/dbraw/zinc/46/95/42/388469542.db2.gz BJZPSSJNMXEZCB-IVZWLZJFSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725145 388469544 /nfs/dbraw/zinc/46/95/44/388469544.db2.gz BJZPSSJNMXEZCB-IVZWLZJFSA-N 1 3 238.297 2.257 20 0 BEADHO C1[C@@H]2C[C@@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)C[C@H]12 ZINC000397749360 388496396 /nfs/dbraw/zinc/49/63/96/388496396.db2.gz OQNQRWGVYOPSGC-XVIXHAIJSA-N 1 3 220.360 2.001 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CN1CCC(C)(C)C1CC1 ZINC000405983535 388497121 /nfs/dbraw/zinc/49/71/21/388497121.db2.gz BJERUDWDKUNUDD-ZYHUDNBSSA-N 1 3 210.365 2.234 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000516877923 388522035 /nfs/dbraw/zinc/52/20/35/388522035.db2.gz RAMYPWFOMRYABP-GMTAPVOTSA-N 1 3 232.318 2.281 20 0 BEADHO CC[C@H]1CCC[C@@H](C[NH2+][C@H]2CCNC2)C1 ZINC000516878616 388522087 /nfs/dbraw/zinc/52/20/87/388522087.db2.gz QLCFCVGOBWXTGT-XQQFMLRXSA-N 1 3 210.365 2.154 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C(C)C ZINC000362975011 388561482 /nfs/dbraw/zinc/56/14/82/388561482.db2.gz CZGUXIHUSHUSFI-RBSFLKMASA-N 1 3 248.370 2.392 20 0 BEADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)C(C)C ZINC000362975013 388562330 /nfs/dbraw/zinc/56/23/30/388562330.db2.gz CZGUXIHUSHUSFI-SOUVJXGZSA-N 1 3 248.370 2.392 20 0 BEADHO CCC(C)(C)CC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000261546685 135239509 /nfs/dbraw/zinc/23/95/09/135239509.db2.gz LFOTVAFIHORERU-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248374786 388677306 /nfs/dbraw/zinc/67/73/06/388677306.db2.gz UCQYOHNOAKDWQR-AVGNSLFASA-N 1 3 210.365 2.201 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248374786 388677309 /nfs/dbraw/zinc/67/73/09/388677309.db2.gz UCQYOHNOAKDWQR-AVGNSLFASA-N 1 3 210.365 2.201 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530176040 388619263 /nfs/dbraw/zinc/61/92/63/388619263.db2.gz AHFOIFSMYIUBSS-UTUOFQBUSA-N 1 3 208.349 2.049 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530177319 388621348 /nfs/dbraw/zinc/62/13/48/388621348.db2.gz FYBJECJREZRIJO-RYUDHWBXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](CC1CC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530178832 388621667 /nfs/dbraw/zinc/62/16/67/388621667.db2.gz OKRLVJDNBWOOSB-JQWIXIFHSA-N 1 3 208.349 2.049 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530179655 388623208 /nfs/dbraw/zinc/62/32/08/388623208.db2.gz ZRGRVGDJABHNRD-WXRRBKDZSA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)CC(C[N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000530213047 388627759 /nfs/dbraw/zinc/62/77/59/388627759.db2.gz UGYLJVIGPUNHIN-NSHDSACASA-N 1 3 210.365 2.093 20 0 BEADHO CC1(C)CC(C[N@H+]2CCC[C@@H](CN)C2)C1 ZINC000530213047 388627761 /nfs/dbraw/zinc/62/77/61/388627761.db2.gz UGYLJVIGPUNHIN-NSHDSACASA-N 1 3 210.365 2.093 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)OCC ZINC000530212610 388627912 /nfs/dbraw/zinc/62/79/12/388627912.db2.gz RDBPGNMVAGONMS-BFHYXJOUSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)OCC ZINC000530212610 388627914 /nfs/dbraw/zinc/62/79/14/388627914.db2.gz RDBPGNMVAGONMS-BFHYXJOUSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCCC1(C)C)C1CNC1 ZINC000530210027 388627999 /nfs/dbraw/zinc/62/79/99/388627999.db2.gz KIJLVLLOFDPYBS-AAEUAGOBSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530213617 388628674 /nfs/dbraw/zinc/62/86/74/388628674.db2.gz AYFDVPZMQIBDGM-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530213619 388629638 /nfs/dbraw/zinc/62/96/38/388629638.db2.gz AYFDVPZMQIBDGM-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@@H]1C ZINC000530216141 388630311 /nfs/dbraw/zinc/63/03/11/388630311.db2.gz MVYIMMVHRFWUKG-QNWHQSFQSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1C[C@@H]1C ZINC000530216141 388630314 /nfs/dbraw/zinc/63/03/14/388630314.db2.gz MVYIMMVHRFWUKG-QNWHQSFQSA-N 1 3 222.376 2.295 20 0 BEADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CCNC23CCC3)C1 ZINC000530218137 388630734 /nfs/dbraw/zinc/63/07/34/388630734.db2.gz VRYOIYBVXHVECZ-MJBXVCDLSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1CC1(C)C ZINC000530217644 388630796 /nfs/dbraw/zinc/63/07/96/388630796.db2.gz URYMNCVXKJUVGO-QJPTWQEYSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)c1ccncc1 ZINC000530242717 388638422 /nfs/dbraw/zinc/63/84/22/388638422.db2.gz CTIUGBLDDHKXOK-GZBFAFLISA-N 1 3 247.386 2.305 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCC1 ZINC000530244974 388639163 /nfs/dbraw/zinc/63/91/63/388639163.db2.gz RLHLYPLSHTUOKB-PWSUYJOCSA-N 1 3 208.349 2.049 20 0 BEADHO COCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000247030583 388657329 /nfs/dbraw/zinc/65/73/29/388657329.db2.gz NOLJLDROLZGZEV-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224396812 388664012 /nfs/dbraw/zinc/66/40/12/388664012.db2.gz IWYPRVVTNGZCAG-STQMWFEESA-N 1 3 242.432 2.059 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000250865001 388741616 /nfs/dbraw/zinc/74/16/16/388741616.db2.gz RBYJKEDBDWLPGK-GRYCIOLGSA-N 1 3 228.405 2.132 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCCS2)C1 ZINC000250865001 388741617 /nfs/dbraw/zinc/74/16/17/388741617.db2.gz RBYJKEDBDWLPGK-GRYCIOLGSA-N 1 3 228.405 2.132 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000250865002 388741627 /nfs/dbraw/zinc/74/16/27/388741627.db2.gz RBYJKEDBDWLPGK-IJLUTSLNSA-N 1 3 228.405 2.132 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCCS2)C1 ZINC000250865002 388741628 /nfs/dbraw/zinc/74/16/28/388741628.db2.gz RBYJKEDBDWLPGK-IJLUTSLNSA-N 1 3 228.405 2.132 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251214396 388745735 /nfs/dbraw/zinc/74/57/35/388745735.db2.gz NCHMNIFHVAOTIW-BNOWGMLFSA-N 1 3 222.376 2.391 20 0 BEADHO COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000565593360 388955738 /nfs/dbraw/zinc/95/57/38/388955738.db2.gz SRNHCQXACXKSRR-NEPJUHHUSA-N 1 3 236.359 2.219 20 0 BEADHO CCC(C)(C)[C@@H](C)NC[C@]1(COC)CCC[NH2+]1 ZINC000566062622 388984097 /nfs/dbraw/zinc/98/40/97/388984097.db2.gz RZWVZGUKXMPBGG-OCCSQVGLSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1F ZINC000271819308 389026117 /nfs/dbraw/zinc/02/61/17/389026117.db2.gz MNRRSKJXFRZMMI-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO Cc1ccc(CNCC2=CC[N@H+](C)CC2)cc1F ZINC000271819308 389026114 /nfs/dbraw/zinc/02/61/14/389026114.db2.gz MNRRSKJXFRZMMI-UHFFFAOYSA-N 1 3 248.345 2.486 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCN1 ZINC000335128254 533368749 /nfs/dbraw/zinc/36/87/49/533368749.db2.gz GHDFMJRELIIYNO-VXGBXAGGSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H](N[C@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400368644 533540758 /nfs/dbraw/zinc/54/07/58/533540758.db2.gz GAMKZSUXASMUTL-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)[C@@H]1CCCN1 ZINC000400368644 533540764 /nfs/dbraw/zinc/54/07/64/533540764.db2.gz GAMKZSUXASMUTL-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC23CCC3)CCCNC1 ZINC000335486505 133882142 /nfs/dbraw/zinc/88/21/42/133882142.db2.gz HEMROZIZAVYCEE-OLZOCXBDSA-N 1 3 222.376 2.298 20 0 BEADHO C[C@@H]1CCSCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000335938086 134013048 /nfs/dbraw/zinc/01/30/48/134013048.db2.gz OAFKSKFMSOHTBF-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1CCSCCN1CC[C@@H]1CCC[N@H+]1C ZINC000335938086 134013049 /nfs/dbraw/zinc/01/30/49/134013049.db2.gz OAFKSKFMSOHTBF-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000352051355 134048200 /nfs/dbraw/zinc/04/82/00/134048200.db2.gz ZJQXEEBMTKIPAA-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@@H](F)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000352051355 134048201 /nfs/dbraw/zinc/04/82/01/134048201.db2.gz ZJQXEEBMTKIPAA-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000168693357 134242373 /nfs/dbraw/zinc/24/23/73/134242373.db2.gz KFZULCLPVQNGFO-GXTWGEPZSA-N 1 3 218.344 2.479 20 0 BEADHO CC1(C[NH2+][C@@H]2CCCNCC2)CCCC1 ZINC000168752746 134247767 /nfs/dbraw/zinc/24/77/67/134247767.db2.gz FXXAVKCIIAVMOY-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CCCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173891673 134278545 /nfs/dbraw/zinc/27/85/45/134278545.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173891673 134278546 /nfs/dbraw/zinc/27/85/46/134278546.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173891673 134278547 /nfs/dbraw/zinc/27/85/47/134278547.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCCCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173891673 134278548 /nfs/dbraw/zinc/27/85/48/134278548.db2.gz FFTXQXQPLMJDOY-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000222029089 134329397 /nfs/dbraw/zinc/32/93/97/134329397.db2.gz IPVXRFFYDJXAEH-FRRDWIJNSA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222029089 134329398 /nfs/dbraw/zinc/32/93/98/134329398.db2.gz IPVXRFFYDJXAEH-FRRDWIJNSA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000222029089 134329399 /nfs/dbraw/zinc/32/93/99/134329399.db2.gz IPVXRFFYDJXAEH-FRRDWIJNSA-N 1 3 222.376 2.249 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCCC2CCCC2)C1 ZINC000226420552 134365724 /nfs/dbraw/zinc/36/57/24/134365724.db2.gz GTZAVXMUPXISKN-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C1CC1C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000130152631 134616761 /nfs/dbraw/zinc/61/67/61/134616761.db2.gz WPRNTUTZTOAJER-ZIAGYGMSSA-N 1 3 234.387 2.391 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cncc(C)c2)C1 ZINC000248754032 135020689 /nfs/dbraw/zinc/02/06/89/135020689.db2.gz UQXLZRBTYBDKIQ-ZIAGYGMSSA-N 1 3 247.386 2.382 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@H]1CCSC1 ZINC000163620095 135020929 /nfs/dbraw/zinc/02/09/29/135020929.db2.gz WCWJLNWPSCWMTD-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CC[C@H](COC)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251098698 135064549 /nfs/dbraw/zinc/06/45/49/135064549.db2.gz QSJINEJGWISMFN-MGPQQGTHSA-N 1 3 242.407 2.312 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251141703 135064843 /nfs/dbraw/zinc/06/48/43/135064843.db2.gz JDGVJWITKWXVMH-WOPDTQHZSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251141703 135064844 /nfs/dbraw/zinc/06/48/44/135064844.db2.gz JDGVJWITKWXVMH-WOPDTQHZSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H](CCCO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251266004 135067142 /nfs/dbraw/zinc/06/71/42/135067142.db2.gz WSMNXFQKBUBUOV-HZSPNIEDSA-N 1 3 242.407 2.048 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000246182599 135082513 /nfs/dbraw/zinc/08/25/13/135082513.db2.gz HDNZWWZZVXWBII-OLZOCXBDSA-N 1 3 212.381 2.306 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000246182599 135082515 /nfs/dbraw/zinc/08/25/15/135082515.db2.gz HDNZWWZZVXWBII-OLZOCXBDSA-N 1 3 212.381 2.306 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000251995304 135082956 /nfs/dbraw/zinc/08/29/56/135082956.db2.gz ZORAWHLQAWTHSP-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251995304 135082957 /nfs/dbraw/zinc/08/29/57/135082957.db2.gz ZORAWHLQAWTHSP-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000086403901 135083546 /nfs/dbraw/zinc/08/35/46/135083546.db2.gz AOUQYENQOIZUFK-QWRGUYRKSA-N 1 3 224.373 2.416 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccsc2)C1 ZINC000086404139 135083682 /nfs/dbraw/zinc/08/36/82/135083682.db2.gz MKWDGXXQKGBXIT-MNOVXSKESA-N 1 3 210.346 2.108 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000252178632 135085920 /nfs/dbraw/zinc/08/59/20/135085920.db2.gz PNVTXFIWCYSUKC-VOAKCMCISA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCC1 ZINC000086501047 135088715 /nfs/dbraw/zinc/08/87/15/135088715.db2.gz LCAUEIKESIDJIV-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]2C1 ZINC000252704342 135098359 /nfs/dbraw/zinc/09/83/59/135098359.db2.gz MUFUSUGQYSZHNN-AVGNSLFASA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252672695 135108218 /nfs/dbraw/zinc/10/82/18/135108218.db2.gz CFDIWLMPNAIRDQ-STQMWFEESA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672695 135108220 /nfs/dbraw/zinc/10/82/20/135108220.db2.gz CFDIWLMPNAIRDQ-STQMWFEESA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672695 135108222 /nfs/dbraw/zinc/10/82/22/135108222.db2.gz CFDIWLMPNAIRDQ-STQMWFEESA-N 1 3 210.365 2.249 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCSC2)c2ccccc21 ZINC000261534319 135108985 /nfs/dbraw/zinc/10/89/85/135108985.db2.gz PVMIUVLZYTZYJK-BIMULSAOSA-N 1 3 234.368 2.226 20 0 BEADHO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000252952353 135117932 /nfs/dbraw/zinc/11/79/32/135117932.db2.gz POBXYQPNWNRYIN-KBPBESRZSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000252952353 135117933 /nfs/dbraw/zinc/11/79/33/135117933.db2.gz POBXYQPNWNRYIN-KBPBESRZSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1cscc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000087309287 135121722 /nfs/dbraw/zinc/12/17/22/135121722.db2.gz QCAVPNNNLJUQGG-ZYHUDNBSSA-N 1 3 224.373 2.274 20 0 BEADHO Cc1ccsc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000087308683 135121905 /nfs/dbraw/zinc/12/19/05/135121905.db2.gz DCMLLIWHCXKKSE-QWRGUYRKSA-N 1 3 224.373 2.416 20 0 BEADHO Cc1cscc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000087309289 135122169 /nfs/dbraw/zinc/12/21/69/135122169.db2.gz QCAVPNNNLJUQGG-CMPLNLGQSA-N 1 3 224.373 2.274 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253249850 135125434 /nfs/dbraw/zinc/12/54/34/135125434.db2.gz VLLGTZBBXFOEDW-CHWSQXEVSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253249850 135125436 /nfs/dbraw/zinc/12/54/36/135125436.db2.gz VLLGTZBBXFOEDW-CHWSQXEVSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253249850 135125437 /nfs/dbraw/zinc/12/54/37/135125437.db2.gz VLLGTZBBXFOEDW-CHWSQXEVSA-N 1 3 212.381 2.339 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2N)c(C)c1 ZINC000258769533 135134006 /nfs/dbraw/zinc/13/40/06/135134006.db2.gz AZWOYXUAUQZFNZ-KGLIPLIRSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257690569 135139170 /nfs/dbraw/zinc/13/91/70/135139170.db2.gz JBACJOGWDMWQSV-HIFRSBDPSA-N 1 3 230.355 2.433 20 0 BEADHO C[C@@H]1C[C@H]1CNC[C@H]1[NH2+]CCCC1(C)C ZINC000261530063 135157238 /nfs/dbraw/zinc/15/72/38/135157238.db2.gz BVHUYVIEEDFQMW-GRYCIOLGSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000261530598 135157832 /nfs/dbraw/zinc/15/78/32/135157832.db2.gz CUFCAXXKWVDTMV-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([N@H+](C)C[C@H]1CCCNC1)C1(C)CC1 ZINC000261530608 135158249 /nfs/dbraw/zinc/15/82/49/135158249.db2.gz CURNQZUKQFPNCM-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]([N@@H+](C)C[C@H]1CCCNC1)C1(C)CC1 ZINC000261530608 135158250 /nfs/dbraw/zinc/15/82/50/135158250.db2.gz CURNQZUKQFPNCM-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1[C@@H]([NH3+])CCN1C[C@H]1CCC[C@@H](C)C1 ZINC000261530636 135158347 /nfs/dbraw/zinc/15/83/47/135158347.db2.gz CWZZBTQGWYSFDC-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)[C@H](C)N ZINC000261531311 135159714 /nfs/dbraw/zinc/15/97/14/135159714.db2.gz GBNNAFHQECLJLL-IQJOONFLSA-N 1 3 224.373 2.451 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCc2sccc21)[C@H](C)N ZINC000261531312 135160160 /nfs/dbraw/zinc/16/01/60/135160160.db2.gz GBNNAFHQECLJLL-NGZCFLSTSA-N 1 3 224.373 2.451 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCCC1 ZINC000087647315 135161372 /nfs/dbraw/zinc/16/13/72/135161372.db2.gz LYBKILNMIGMTHZ-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CN(CC2CCC(C)CC2)C[C@H]1[NH3+] ZINC000261531873 135161499 /nfs/dbraw/zinc/16/14/99/135161499.db2.gz IDYCQYCDURYUMF-POOIEITISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[C@@H](C)C2)C[C@H]1[NH3+] ZINC000261531839 135161534 /nfs/dbraw/zinc/16/15/34/135161534.db2.gz IALMBPNPHJGOON-FVCCEPFGSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+]C[C@H]2CCCNC2)C1 ZINC000261534323 135167113 /nfs/dbraw/zinc/16/71/13/135167113.db2.gz PVNWYCUYEUDGIX-MCIONIFRSA-N 1 3 224.392 2.402 20 0 BEADHO [NH3+]CCN1CCC[C@H]1CC1CCCCC1 ZINC000261534635 135167657 /nfs/dbraw/zinc/16/76/57/135167657.db2.gz MWANPPRIVKFEPD-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000261536360 135171196 /nfs/dbraw/zinc/17/11/96/135171196.db2.gz RJROZGJAIQMICC-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCCS1 ZINC000087792750 135171793 /nfs/dbraw/zinc/17/17/93/135171793.db2.gz FEZGHORLLIHIMT-FRRDWIJNSA-N 1 3 242.432 2.379 20 0 BEADHO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261537908 135175090 /nfs/dbraw/zinc/17/50/90/135175090.db2.gz WQFKQQDPDDADMJ-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2)C[C@@H](C)C1 ZINC000261538230 135175563 /nfs/dbraw/zinc/17/55/63/135175563.db2.gz XMZHASAWCUCKSG-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261538900 135176889 /nfs/dbraw/zinc/17/68/89/135176889.db2.gz ZSWPITWONYNDLQ-UTUOFQBUSA-N 1 3 206.333 2.381 20 0 BEADHO C[C@@H]1CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261539319 135178064 /nfs/dbraw/zinc/17/80/64/135178064.db2.gz CCRCMMGMJILHSB-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261539319 135178066 /nfs/dbraw/zinc/17/80/66/135178066.db2.gz CCRCMMGMJILHSB-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1 ZINC000261540468 135179259 /nfs/dbraw/zinc/17/92/59/135179259.db2.gz AGBXKHCZLDHUEK-IPYPFGDCSA-N 1 3 232.371 2.378 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(OC)cc1 ZINC000261542173 135182762 /nfs/dbraw/zinc/18/27/62/135182762.db2.gz BXQPYVPLYMSERC-GYSYKLTISA-N 1 3 236.359 2.472 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(OC)cc1 ZINC000261542174 135182782 /nfs/dbraw/zinc/18/27/82/135182782.db2.gz BXQPYVPLYMSERC-MJVIPROJSA-N 1 3 236.359 2.472 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNCC2(C)C)cc1 ZINC000261543383 135183702 /nfs/dbraw/zinc/18/37/02/135183702.db2.gz DAUZKLWLPSGMHL-AWEZNQCLSA-N 1 3 232.371 2.473 20 0 BEADHO C[N@H+](C[C@H]1CCCNC1)C1(C)CCCC1 ZINC000261543092 135184243 /nfs/dbraw/zinc/18/42/43/135184243.db2.gz HKMQICMORIHXTI-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](C[C@H]1CCCNC1)C1(C)CCCC1 ZINC000261543092 135184244 /nfs/dbraw/zinc/18/42/44/135184244.db2.gz HKMQICMORIHXTI-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1C[N@H+](C[C@H]2CCCNC2)C(C)(C)C1 ZINC000261549142 135187940 /nfs/dbraw/zinc/18/79/40/135187940.db2.gz OGHKUTZUFXUHPX-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1C[N@@H+](C[C@H]2CCCNC2)C(C)(C)C1 ZINC000261549142 135187941 /nfs/dbraw/zinc/18/79/41/135187941.db2.gz OGHKUTZUFXUHPX-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ncsc1CN1CCC[C@H](CC[NH3+])C1 ZINC000084149533 135188369 /nfs/dbraw/zinc/18/83/69/135188369.db2.gz WTHQEFBVPJOPCM-LLVKDONJSA-N 1 3 239.388 2.012 20 0 BEADHO Cc1ncsc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000084149534 135188444 /nfs/dbraw/zinc/18/84/44/135188444.db2.gz WTHQEFBVPJOPCM-NSHDSACASA-N 1 3 239.388 2.012 20 0 BEADHO C[C@@H](CN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553594 135192743 /nfs/dbraw/zinc/19/27/43/135192743.db2.gz OBNHSEOTJIGQMB-ZFWWWQNUSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216925 135192847 /nfs/dbraw/zinc/19/28/47/135192847.db2.gz GFZOIPZEYWVBPU-RTXFEEFZSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1nc(C)c(CN[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000261562669 135204030 /nfs/dbraw/zinc/20/40/30/135204030.db2.gz BMIOJCCBDGOZQC-WDEREUQCSA-N 1 3 239.388 2.119 20 0 BEADHO Cc1cccc(CN2CC[C@@](C)(C[NH3+])C2)c1C ZINC000261565872 135207372 /nfs/dbraw/zinc/20/73/72/135207372.db2.gz YPUFJQBWKGSRHY-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@@](C)(CN)C2)c1C ZINC000261565872 135207375 /nfs/dbraw/zinc/20/73/75/135207375.db2.gz YPUFJQBWKGSRHY-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@@](C)(CN)C2)c1C ZINC000261565872 135207376 /nfs/dbraw/zinc/20/73/76/135207376.db2.gz YPUFJQBWKGSRHY-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(C)(C)O ZINC000261565387 135207925 /nfs/dbraw/zinc/20/79/25/135207925.db2.gz YHTZCBYCWZMHEN-OLZOCXBDSA-N 1 3 242.407 2.048 20 0 BEADHO CC(C)(N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000261569400 135210891 /nfs/dbraw/zinc/21/08/91/135210891.db2.gz GHIUYKLNWUAXBK-CYBMUJFWSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCNC[C@@H]2C)c1 ZINC000261571596 135213931 /nfs/dbraw/zinc/21/39/31/135213931.db2.gz HOQAGQXZIZVGDP-JSGCOSHPSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCNC[C@@H]2C)c1 ZINC000261571595 135213956 /nfs/dbraw/zinc/21/39/56/135213956.db2.gz HOQAGQXZIZVGDP-GXTWGEPZSA-N 1 3 218.344 2.083 20 0 BEADHO C1CCC2(C1)CCCC[C@@H]2[NH2+][C@H]1CCNC1 ZINC000261576368 135217668 /nfs/dbraw/zinc/21/76/68/135217668.db2.gz KISVFLIPUCRRBP-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@@H](N)[C@H]2C)c(C)c1 ZINC000261579237 135219960 /nfs/dbraw/zinc/21/99/60/135219960.db2.gz MGCLVKJCRNLOPU-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@@H](N)[C@H]2C)c(C)c1 ZINC000261579237 135219961 /nfs/dbraw/zinc/21/99/61/135219961.db2.gz MGCLVKJCRNLOPU-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@H](CN1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000261581335 135222319 /nfs/dbraw/zinc/22/23/19/135222319.db2.gz QPBQNOXPLLRNRL-KBMXLJTQSA-N 1 3 244.382 2.331 20 0 BEADHO C[C@H](CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000261581567 135222339 /nfs/dbraw/zinc/22/23/39/135222339.db2.gz QSNZEXOQHWFZSE-BMFZPTHFSA-N 1 3 244.382 2.474 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000261584117 135225169 /nfs/dbraw/zinc/22/51/69/135225169.db2.gz SCKFFWXHOUAKSU-UHOFOFEASA-N 1 3 244.382 2.132 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCC[C@H]2CCOC2)c2ccccc21 ZINC000261585575 135227040 /nfs/dbraw/zinc/22/70/40/135227040.db2.gz TWKVMURXPCOGGI-NILFDRSVSA-N 1 3 246.354 2.147 20 0 BEADHO CC1(C)CCC(C[N@@H+]2CC[C@H](CN)C2)CC1 ZINC000261587323 135228579 /nfs/dbraw/zinc/22/85/79/135228579.db2.gz RSPDCSOJTKFLEF-CYBMUJFWSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC(C[N@H+]2CC[C@H](CN)C2)CC1 ZINC000261587323 135228580 /nfs/dbraw/zinc/22/85/80/135228580.db2.gz RSPDCSOJTKFLEF-CYBMUJFWSA-N 1 3 224.392 2.483 20 0 BEADHO CCC[C@](C)(O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000261588567 135229206 /nfs/dbraw/zinc/22/92/06/135229206.db2.gz VUARDMXPTCUMJH-KKUMJFAQSA-N 1 3 248.370 2.272 20 0 BEADHO C[C@@H]1CC[C@]2(CCN(CC(C)(C)[NH3+])C2)C1 ZINC000261589648 135230051 /nfs/dbraw/zinc/23/00/51/135230051.db2.gz UAABZOQFBFNGIW-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCNC[C@@H]1C ZINC000261593595 135233992 /nfs/dbraw/zinc/23/39/92/135233992.db2.gz WZAZIZISVPFZAX-JSGCOSHPSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCNC[C@H]1C ZINC000261593596 135234039 /nfs/dbraw/zinc/23/40/39/135234039.db2.gz WZAZIZISVPFZAX-OCCSQVGLSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261593594 135234517 /nfs/dbraw/zinc/23/45/17/135234517.db2.gz WZAZIZISVPFZAX-GXTWGEPZSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261546221 135238549 /nfs/dbraw/zinc/23/85/49/135238549.db2.gz GRGCUMVSEXEEKM-SOUVJXGZSA-N 1 3 230.355 2.164 20 0 BEADHO Cc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261546219 135238565 /nfs/dbraw/zinc/23/85/65/135238565.db2.gz GRGCUMVSEXEEKM-KKUMJFAQSA-N 1 3 230.355 2.164 20 0 BEADHO CCC(C)(C)CC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000261546685 135239508 /nfs/dbraw/zinc/23/95/08/135239508.db2.gz LFOTVAFIHORERU-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000261546684 135239577 /nfs/dbraw/zinc/23/95/77/135239577.db2.gz LFOTVAFIHORERU-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000261546684 135239579 /nfs/dbraw/zinc/23/95/79/135239579.db2.gz LFOTVAFIHORERU-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261756368 135250076 /nfs/dbraw/zinc/25/00/76/135250076.db2.gz KXDZCGZFQXKGMY-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768979 135251981 /nfs/dbraw/zinc/25/19/81/135251981.db2.gz MIOCHGPBBOSMQM-GXTWGEPZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000261815031 135255055 /nfs/dbraw/zinc/25/50/55/135255055.db2.gz HXOHQEZCLLSPRD-FPMFFAJLSA-N 1 3 248.345 2.080 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)CC1(C)C ZINC000261813348 135255348 /nfs/dbraw/zinc/25/53/48/135255348.db2.gz HVAWEDALHFXRML-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)CC1(C)C ZINC000261813348 135255350 /nfs/dbraw/zinc/25/53/50/135255350.db2.gz HVAWEDALHFXRML-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@]1(CN2CCCCC(C)(C)C2)CC[NH2+]C1 ZINC000261882914 135260417 /nfs/dbraw/zinc/26/04/17/135260417.db2.gz RIZMLUBEGZARNM-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261965501 135267156 /nfs/dbraw/zinc/26/71/56/135267156.db2.gz PUBRGNZCAVPVSP-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261965501 135267157 /nfs/dbraw/zinc/26/71/57/135267157.db2.gz PUBRGNZCAVPVSP-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1cccc(C)c1OCC[NH2+]CC1(N)CCC1 ZINC000262080123 135277387 /nfs/dbraw/zinc/27/73/87/135277387.db2.gz DYXPWRHXLNUTLE-UHFFFAOYSA-N 1 3 248.370 2.153 20 0 BEADHO CC(C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262149966 135282397 /nfs/dbraw/zinc/28/23/97/135282397.db2.gz ZVCRQDHQDAAVBI-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CCc1nc(CNC2CCC([NH3+])CC2)cs1 ZINC000262150005 135282451 /nfs/dbraw/zinc/28/24/51/135282451.db2.gz FXTMKUUXSHPOHU-UHFFFAOYSA-N 1 3 239.388 2.065 20 0 BEADHO C[C@@H](C[NH2+]Cc1cc[nH]c1)CN1CCCCC1 ZINC000080773887 135384556 /nfs/dbraw/zinc/38/45/56/135384556.db2.gz LHSQIVLALSFWAZ-ZDUSSCGKSA-N 1 3 235.375 2.226 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(F)cc2)C1 ZINC000086401982 135491179 /nfs/dbraw/zinc/49/11/79/135491179.db2.gz DUWYZRDMEYIYJF-CHWSQXEVSA-N 1 3 222.307 2.185 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1CNC1 ZINC000335551591 136097974 /nfs/dbraw/zinc/09/79/74/136097974.db2.gz KBXDTSBTDHWMRL-JQWIXIFHSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCNCC1 ZINC000335568797 136108669 /nfs/dbraw/zinc/10/86/69/136108669.db2.gz SOWGQAWPNHMSOS-ZUZCIYMTSA-N 1 3 248.345 2.401 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C1CCNCC1 ZINC000335568796 136108873 /nfs/dbraw/zinc/10/88/73/136108873.db2.gz SOWGQAWPNHMSOS-MEBBXXQBSA-N 1 3 248.345 2.401 20 0 BEADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)N ZINC000335599113 136113860 /nfs/dbraw/zinc/11/38/60/136113860.db2.gz NPEJAXLZCYUHOC-TVQRCGJNSA-N 1 3 236.334 2.386 20 0 BEADHO Cc1cccc(OCC[NH2+][C@@H]2C[C@H](N)C2(C)C)c1 ZINC000404785184 397732628 /nfs/dbraw/zinc/73/26/28/397732628.db2.gz PHAKUQZHTAPXMQ-UONOGXRCSA-N 1 3 248.370 2.089 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122437 397807259 /nfs/dbraw/zinc/80/72/59/397807259.db2.gz REHMAMMHZLHWPE-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1c[nH+]ccc1NC[C@H]1CCCCN1C1CC1 ZINC000358916104 397943440 /nfs/dbraw/zinc/94/34/40/397943440.db2.gz RBQKJCGCOVEYDS-CQSZACIVSA-N 1 3 245.370 2.241 20 0 BEADHO CN(CCCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000382761522 397972545 /nfs/dbraw/zinc/97/25/45/397972545.db2.gz YZLIJIJRQVRIQO-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H]1CCCNC1 ZINC000414853995 398062146 /nfs/dbraw/zinc/06/21/46/398062146.db2.gz LSHPHKKEOGPEBM-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CNCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000414863074 398068607 /nfs/dbraw/zinc/06/86/07/398068607.db2.gz WRVDNELMRYJKSF-SECBINFHSA-N 1 3 226.286 2.307 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCC2)C[C@H]1CN ZINC000397321476 398120523 /nfs/dbraw/zinc/12/05/23/398120523.db2.gz SXUIMHBGRVDDCH-NQBHXWOUSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCC2)C[C@H]1CN ZINC000397321476 398120524 /nfs/dbraw/zinc/12/05/24/398120524.db2.gz SXUIMHBGRVDDCH-NQBHXWOUSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000414979664 398134627 /nfs/dbraw/zinc/13/46/27/398134627.db2.gz OCQPTZRNAMIBTM-AWEZNQCLSA-N 1 3 220.360 2.439 20 0 BEADHO CC(C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000053657773 167005950 /nfs/dbraw/zinc/00/59/50/167005950.db2.gz LCPNXWXQHNCMBN-ZDUSSCGKSA-N 1 3 212.381 2.352 20 0 BEADHO Cc1cc(C)c(CNC[C@@H](C)C[NH3+])cc1C ZINC000258779505 322877536 /nfs/dbraw/zinc/87/75/36/322877536.db2.gz OYSADRLRCRHEKN-JTQLQIEISA-N 1 3 220.360 2.296 20 0 BEADHO CC(C)OC[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000337348893 167254917 /nfs/dbraw/zinc/25/49/17/167254917.db2.gz ZOUZMSAHCWZVNO-CYBMUJFWSA-N 1 3 242.407 2.262 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cccs3)[C@H]2C1 ZINC001651698260 1172976347 /nfs/dbraw/zinc/97/63/47/1172976347.db2.gz UDYXAXLYVBCINI-DRZSPHRISA-N 1 3 236.384 2.178 20 0 BEADHO CC1CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001651698332 1172977053 /nfs/dbraw/zinc/97/70/53/1172977053.db2.gz VIELEPHZLKWKGJ-FJGURNMVSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@@H](CC(F)F)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264456 409559822 /nfs/dbraw/zinc/55/98/22/409559822.db2.gz DHAXZANEWPIOHJ-AAEUAGOBSA-N 1 3 246.345 2.353 20 0 BEADHO CNCCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317786 409637227 /nfs/dbraw/zinc/63/72/27/409637227.db2.gz SIYYLTAUIFKQCK-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CNCCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317786 409637236 /nfs/dbraw/zinc/63/72/36/409637236.db2.gz SIYYLTAUIFKQCK-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H](C2CCC2)C1 ZINC000662317786 409637245 /nfs/dbraw/zinc/63/72/45/409637245.db2.gz SIYYLTAUIFKQCK-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1N ZINC000662270504 409572672 /nfs/dbraw/zinc/57/26/72/409572672.db2.gz LPMNQFBEHDFVSE-RKQHYHRCSA-N 1 3 222.376 2.092 20 0 BEADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1N ZINC000662270504 409572680 /nfs/dbraw/zinc/57/26/80/409572680.db2.gz LPMNQFBEHDFVSE-RKQHYHRCSA-N 1 3 222.376 2.092 20 0 BEADHO CO[C@H](CN1CC[C@H]([NH3+])C[C@@H]1C)C1CCCC1 ZINC000662284267 409614672 /nfs/dbraw/zinc/61/46/72/409614672.db2.gz MJIRHMJSRGEEBY-FPMFFAJLSA-N 1 3 240.391 2.003 20 0 BEADHO CC(C)SCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304325757 167332146 /nfs/dbraw/zinc/33/21/46/167332146.db2.gz SVLFBSJFILVEQY-CHWSQXEVSA-N 1 3 242.432 2.344 20 0 BEADHO CC(C)SCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304325757 167332151 /nfs/dbraw/zinc/33/21/51/167332151.db2.gz SVLFBSJFILVEQY-CHWSQXEVSA-N 1 3 242.432 2.344 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000308778194 409905825 /nfs/dbraw/zinc/90/58/25/409905825.db2.gz BITYDJCGAZNBRK-GRYCIOLGSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000308778194 409905832 /nfs/dbraw/zinc/90/58/32/409905832.db2.gz BITYDJCGAZNBRK-GRYCIOLGSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CC1CCC1)CN(C)C ZINC000308911328 409936300 /nfs/dbraw/zinc/93/63/00/409936300.db2.gz MQQRUIKDLVGXBK-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@H]1CN(CCCCCF)CC[C@@H]1[NH3+] ZINC000308916724 409938213 /nfs/dbraw/zinc/93/82/13/409938213.db2.gz INEBBGKPIJBPOK-RYUDHWBXSA-N 1 3 216.344 2.185 20 0 BEADHO CCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158485207 410249200 /nfs/dbraw/zinc/24/92/00/410249200.db2.gz AHGYQMWZVZSQAH-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CCCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158485207 410249209 /nfs/dbraw/zinc/24/92/09/410249209.db2.gz AHGYQMWZVZSQAH-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158485207 410249214 /nfs/dbraw/zinc/24/92/14/410249214.db2.gz AHGYQMWZVZSQAH-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158485207 410249219 /nfs/dbraw/zinc/24/92/19/410249219.db2.gz AHGYQMWZVZSQAH-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663498166 410276157 /nfs/dbraw/zinc/27/61/57/410276157.db2.gz MXYQVADCMJXFLP-CEUNDQEZSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498166 410276161 /nfs/dbraw/zinc/27/61/61/410276161.db2.gz MXYQVADCMJXFLP-CEUNDQEZSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc3c2CCC3)CCN1 ZINC000650703502 410332698 /nfs/dbraw/zinc/33/26/98/410332698.db2.gz CEIRMDPHZPCIQL-WFASDCNBSA-N 1 3 244.382 2.405 20 0 BEADHO N[C@H](C[NH2+]Cc1cccc2c1CCC2)C1CC1 ZINC000650703672 410333399 /nfs/dbraw/zinc/33/33/99/410333399.db2.gz LCLCZVZLVUEGJG-OAHLLOKOSA-N 1 3 230.355 2.002 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2c1CCC2 ZINC000650704293 410335142 /nfs/dbraw/zinc/33/51/42/410335142.db2.gz RSQRWMLHKAZJRZ-NEPJUHHUSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)C1C[NH2+]C1 ZINC000650742071 410374522 /nfs/dbraw/zinc/37/45/22/410374522.db2.gz QPVIAVUVDWKGSF-JFGNBEQYSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)(C)C)C1CNC1 ZINC000650742071 410374527 /nfs/dbraw/zinc/37/45/27/410374527.db2.gz QPVIAVUVDWKGSF-JFGNBEQYSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccc([C@H](C)NCCC2(C[NH3+])CC2)o1 ZINC000650743657 410376884 /nfs/dbraw/zinc/37/68/84/410376884.db2.gz YKMFKDNZPCJAHH-NSHDSACASA-N 1 3 222.332 2.368 20 0 BEADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccc(F)cn1 ZINC000650745905 410384779 /nfs/dbraw/zinc/38/47/79/410384779.db2.gz QQAURNKXEHHVLX-JTQLQIEISA-N 1 3 237.322 2.000 20 0 BEADHO Cc1cc([C@H](C)NCCC2CC[NH2+]CC2)no1 ZINC000650762803 410411447 /nfs/dbraw/zinc/41/14/47/410411447.db2.gz KVMHIARONNRKRJ-NSHDSACASA-N 1 3 237.347 2.023 20 0 BEADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)co1 ZINC000665262931 410737291 /nfs/dbraw/zinc/73/72/91/410737291.db2.gz CGVJYZHFORFSGQ-RBSFLKMASA-N 1 3 248.370 2.332 20 0 BEADHO C[C@@H](N[C@@H]1CC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000665274042 410742268 /nfs/dbraw/zinc/74/22/68/410742268.db2.gz IOUFJCDYGLALBT-KCPJHIHWSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)C1CNC1 ZINC000665274042 410742271 /nfs/dbraw/zinc/74/22/71/410742271.db2.gz IOUFJCDYGLALBT-KCPJHIHWSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCC1(C)C)CN(C)C ZINC000308879794 410785496 /nfs/dbraw/zinc/78/54/96/410785496.db2.gz DUAHRNUVFZEMOQ-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1CCCF ZINC000665297884 410823788 /nfs/dbraw/zinc/82/37/88/410823788.db2.gz NKUWJERLURFHND-SRVKXCTJSA-N 1 3 216.344 2.102 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H](C)C1CCC(F)(F)CC1 ZINC000665297595 410818238 /nfs/dbraw/zinc/81/82/38/410818238.db2.gz IVZIECRZLJHAKU-NXEZZACHSA-N 1 3 234.334 2.398 20 0 BEADHO CC(C)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000052421362 167004337 /nfs/dbraw/zinc/00/43/37/167004337.db2.gz QDGAPFQKFSIART-ZDUSSCGKSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000053657777 167006097 /nfs/dbraw/zinc/00/60/97/167006097.db2.gz LCPNXWXQHNCMBN-CYBMUJFWSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000037480274 167102356 /nfs/dbraw/zinc/10/23/56/167102356.db2.gz AWKYYQYWSFEXRM-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000337337569 167255444 /nfs/dbraw/zinc/25/54/44/167255444.db2.gz MZNRRAAMIQVYAV-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000337337569 167255441 /nfs/dbraw/zinc/25/54/41/167255441.db2.gz MZNRRAAMIQVYAV-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374325890 167256979 /nfs/dbraw/zinc/25/69/79/167256979.db2.gz CYTZAOKQVUYKID-MGPQQGTHSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OC[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374325890 167256981 /nfs/dbraw/zinc/25/69/81/167256981.db2.gz CYTZAOKQVUYKID-MGPQQGTHSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1CC1(C)C ZINC000397837529 410936534 /nfs/dbraw/zinc/93/65/34/410936534.db2.gz SZYOVEOKBZXBAW-YFKTTZPYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)C(C)(C)C ZINC000162703953 487620118 /nfs/dbraw/zinc/62/01/18/487620118.db2.gz BRXXXKIFMIVWFQ-NWDGAFQWSA-N 1 3 212.381 2.258 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309399140 411162919 /nfs/dbraw/zinc/16/29/19/411162919.db2.gz DCSPJJYJFBGFER-IHRRRGAJSA-N 1 3 224.392 2.483 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309399140 411162924 /nfs/dbraw/zinc/16/29/24/411162924.db2.gz DCSPJJYJFBGFER-IHRRRGAJSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](CCN(C)C)[NH2+]Cc1cc2cnccc2o1 ZINC000651694290 411136655 /nfs/dbraw/zinc/13/66/55/411136655.db2.gz YBIHSEFQYPOECO-LLVKDONJSA-N 1 3 247.342 2.258 20 0 BEADHO CC(C)CCN(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000111239052 411163875 /nfs/dbraw/zinc/16/38/75/411163875.db2.gz REJACYIQMQUKGZ-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000651865662 411147723 /nfs/dbraw/zinc/14/77/23/411147723.db2.gz CPJMPUGYXHSJBW-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000651864703 411147792 /nfs/dbraw/zinc/14/77/92/411147792.db2.gz BCUGSUZRCUOKDO-MELADBBJSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000110643839 411112980 /nfs/dbraw/zinc/11/29/80/411112980.db2.gz OOFAFFHNQDKINQ-NEPJUHHUSA-N 1 3 233.359 2.202 20 0 BEADHO C[C@@H]1CCCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000652193087 411168560 /nfs/dbraw/zinc/16/85/60/411168560.db2.gz VLYIQPVSULRGMD-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1CCCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000652193085 411168700 /nfs/dbraw/zinc/16/87/00/411168700.db2.gz VLYIQPVSULRGMD-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@@H](CC(C)(C)C)NC[C@@H]([NH3+])CC(C)C ZINC000656193905 411199269 /nfs/dbraw/zinc/19/92/69/411199269.db2.gz XQGRBDAGEUXLOL-QWHCGFSZSA-N 1 3 244.423 2.401 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCOCC1 ZINC000656197067 411201951 /nfs/dbraw/zinc/20/19/51/411201951.db2.gz BBEPFJGDOUUTOT-MCIONIFRSA-N 1 3 240.391 2.051 20 0 BEADHO COCCCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355023 411214727 /nfs/dbraw/zinc/21/47/27/411214727.db2.gz MYTHCFBWJZHZNO-KGLIPLIRSA-N 1 3 242.407 2.252 20 0 BEADHO COCCCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355023 411214730 /nfs/dbraw/zinc/21/47/30/411214730.db2.gz MYTHCFBWJZHZNO-KGLIPLIRSA-N 1 3 242.407 2.252 20 0 BEADHO CCO[C@@H]1C[N@H+](CCC(C)(C)CC)C[C@H]1CN ZINC000652356803 411215259 /nfs/dbraw/zinc/21/52/59/411215259.db2.gz IPIPMJOYLVDLFY-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO CCO[C@@H]1C[N@@H+](CCC(C)(C)CC)C[C@H]1CN ZINC000652356803 411215261 /nfs/dbraw/zinc/21/52/61/411215261.db2.gz IPIPMJOYLVDLFY-CHWSQXEVSA-N 1 3 242.407 2.108 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)SC2)C1 ZINC000655693953 411239502 /nfs/dbraw/zinc/23/95/02/411239502.db2.gz BIQKVFOAOLXVQU-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CN(CCCC1CC[NH2+]CC1)Cc1cccnc1 ZINC000050952677 411269581 /nfs/dbraw/zinc/26/95/81/411269581.db2.gz UCPMKTGKXPAQRV-UHFFFAOYSA-N 1 3 247.386 2.293 20 0 BEADHO C([C@@H]1CCC[NH2+]C1)N1CCC(C2CCC2)CC1 ZINC000656787536 411365381 /nfs/dbraw/zinc/36/53/81/411365381.db2.gz MABBKPAQLJLFRQ-CYBMUJFWSA-N 1 3 236.403 2.498 20 0 BEADHO C([C@@H]1CCCNC1)[NH+]1CCC(C2CCC2)CC1 ZINC000656787536 411365385 /nfs/dbraw/zinc/36/53/85/411365385.db2.gz MABBKPAQLJLFRQ-CYBMUJFWSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@]1(CN2CCC(C3CCC3)CC2)CC[NH2+]C1 ZINC000656787571 411366501 /nfs/dbraw/zinc/36/65/01/411366501.db2.gz NQPNJYNTFXBFOL-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO CC1(CN2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000336631956 168024022 /nfs/dbraw/zinc/02/40/22/168024022.db2.gz AWFNHJQCAKIOKT-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO CC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000062570050 168178054 /nfs/dbraw/zinc/17/80/54/168178054.db2.gz WTZQPBDMOMBRBT-FUNVUKJBSA-N 1 3 208.349 2.001 20 0 BEADHO CC1CCN(CCC[NH2+]Cc2cc[nH]c2)CC1 ZINC000080773374 168179487 /nfs/dbraw/zinc/17/94/87/168179487.db2.gz UEJRWOUUVMEPPL-UHFFFAOYSA-N 1 3 235.375 2.226 20 0 BEADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124653222 168182112 /nfs/dbraw/zinc/18/21/12/168182112.db2.gz PYZHHAGMZOCYRQ-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124653222 168182114 /nfs/dbraw/zinc/18/21/14/168182114.db2.gz PYZHHAGMZOCYRQ-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124653411 168182449 /nfs/dbraw/zinc/18/24/49/168182449.db2.gz PYZHHAGMZOCYRQ-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124653411 168182450 /nfs/dbraw/zinc/18/24/50/168182450.db2.gz PYZHHAGMZOCYRQ-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404321811 411391009 /nfs/dbraw/zinc/39/10/09/411391009.db2.gz RFYCWGKIGNNWMX-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404321811 411391011 /nfs/dbraw/zinc/39/10/11/411391011.db2.gz RFYCWGKIGNNWMX-OLZOCXBDSA-N 1 3 212.381 2.482 20 0 BEADHO Cc1ccncc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404410481 411395459 /nfs/dbraw/zinc/39/54/59/411395459.db2.gz CESGPANJFKOMOZ-ZFWWWQNUSA-N 1 3 247.386 2.339 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+]CCCNC1CC1 ZINC000382552157 411409096 /nfs/dbraw/zinc/40/90/96/411409096.db2.gz WVLWICMIDJJFPW-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1cccs1)NCCC[NH2+]C1CC1 ZINC000382552157 411409097 /nfs/dbraw/zinc/40/90/97/411409097.db2.gz WVLWICMIDJJFPW-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO CCC[NH+]1CCC(N[C@H]2CO[C@@H](CC)C2)CC1 ZINC000657294022 411449896 /nfs/dbraw/zinc/44/98/96/411449896.db2.gz AHVGVGGPEYOXSV-KGLIPLIRSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(CN[C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000053036253 411475768 /nfs/dbraw/zinc/47/57/68/411475768.db2.gz CDYWPRCXZSWZLK-LBPRGKRZSA-N 1 3 236.359 2.408 20 0 BEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N)c(C)c1 ZINC000415003696 411482436 /nfs/dbraw/zinc/48/24/36/411482436.db2.gz GKHYTSNAFJDDLL-VXGBXAGGSA-N 1 3 206.333 2.129 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000415011676 411488141 /nfs/dbraw/zinc/48/81/41/411488141.db2.gz RFTWNRKVEVYCFG-RYUDHWBXSA-N 1 3 236.359 2.299 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cscn1 ZINC000655805372 411519746 /nfs/dbraw/zinc/51/97/46/411519746.db2.gz MUSIJSWFJZXYGP-GARJFASQSA-N 1 3 239.388 2.134 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639678 170009599 /nfs/dbraw/zinc/00/95/99/170009599.db2.gz NLSGIZXCDASZHO-UKRRQHHQSA-N 1 3 249.402 2.187 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639678 170009601 /nfs/dbraw/zinc/00/96/01/170009601.db2.gz NLSGIZXCDASZHO-UKRRQHHQSA-N 1 3 249.402 2.187 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCCF)C[C@@H]1C ZINC000361531316 170010072 /nfs/dbraw/zinc/01/00/72/170010072.db2.gz QMBOCIBSSPMMAH-NWDGAFQWSA-N 1 3 216.344 2.151 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCCF)C[C@@H]1C ZINC000361531316 170010073 /nfs/dbraw/zinc/01/00/73/170010073.db2.gz QMBOCIBSSPMMAH-NWDGAFQWSA-N 1 3 216.344 2.151 20 0 BEADHO CCN1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC000037731403 170015696 /nfs/dbraw/zinc/01/56/96/170015696.db2.gz IPLYMIOKLANOGR-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2sccc2C)C1 ZINC000037484198 170016448 /nfs/dbraw/zinc/01/64/48/170016448.db2.gz DJINSBWVKLWPMV-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccnc2)C1 ZINC000037644021 170016739 /nfs/dbraw/zinc/01/67/39/170016739.db2.gz HHPYPQBUVMMREZ-QWHCGFSZSA-N 1 3 233.359 2.074 20 0 BEADHO CC(C)(F)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657645274 411568852 /nfs/dbraw/zinc/56/88/52/411568852.db2.gz QEINEHCLXSVVHO-NWDGAFQWSA-N 1 3 228.355 2.341 20 0 BEADHO CC(C)(F)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657645274 411568853 /nfs/dbraw/zinc/56/88/53/411568853.db2.gz QEINEHCLXSVVHO-NWDGAFQWSA-N 1 3 228.355 2.341 20 0 BEADHO CC1(C)C[C@]1(C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657761394 411591557 /nfs/dbraw/zinc/59/15/57/411591557.db2.gz KAOBNEKQXWUZLL-BZPMIXESSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657761394 411591559 /nfs/dbraw/zinc/59/15/59/411591559.db2.gz KAOBNEKQXWUZLL-BZPMIXESSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000657761394 411591560 /nfs/dbraw/zinc/59/15/60/411591560.db2.gz KAOBNEKQXWUZLL-BZPMIXESSA-N 1 3 222.376 2.391 20 0 BEADHO C(C[NH2+][C@H]1CCCSCC1)CN1CCCC1 ZINC000657823931 411607540 /nfs/dbraw/zinc/60/75/40/411607540.db2.gz MCSORWOSMOXSDN-ZDUSSCGKSA-N 1 3 242.432 2.348 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC23CC(C2)CN3)[C@H](C)C1 ZINC000663497822 411678970 /nfs/dbraw/zinc/67/89/70/411678970.db2.gz KGKHFYFPOJTHQD-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000663497822 411678973 /nfs/dbraw/zinc/67/89/73/411678973.db2.gz KGKHFYFPOJTHQD-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO Cc1ccccc1CNCC[C@@H]([NH3+])C(C)C ZINC000663498085 411680847 /nfs/dbraw/zinc/68/08/47/411680847.db2.gz KUBYTCUYZVFCEW-CQSZACIVSA-N 1 3 220.360 2.458 20 0 BEADHO C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C12CC(C1)CN2 ZINC000663498572 411682453 /nfs/dbraw/zinc/68/24/53/411682453.db2.gz QENBSCXGIGXVPI-PIBLMLOJSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@@H]1CCC[C@H](C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000663498572 411682459 /nfs/dbraw/zinc/68/24/59/411682459.db2.gz QENBSCXGIGXVPI-PIBLMLOJSA-N 1 3 234.387 2.297 20 0 BEADHO CCC[C@H](C)C[NH2+]CC[C@@H](N)C(C)C ZINC000663499221 411682527 /nfs/dbraw/zinc/68/25/27/411682527.db2.gz GZACLVSXPIFAEC-NWDGAFQWSA-N 1 3 200.370 2.386 20 0 BEADHO CCCC[C@H](COC)NCC[C@@H]([NH3+])C(C)C ZINC000663502005 411685125 /nfs/dbraw/zinc/68/51/25/411685125.db2.gz CUBGFRBWBQEPMU-CHWSQXEVSA-N 1 3 230.396 2.155 20 0 BEADHO C[C@H](C[NH2+]CC12CC(C1)CN2)C(C)(C)C ZINC000663501492 411685438 /nfs/dbraw/zinc/68/54/38/411685438.db2.gz WMSCHKBDXFZGSX-XSRFYTQQSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](CNCC12CC(C1)C[NH2+]2)C(C)(C)C ZINC000663501492 411685444 /nfs/dbraw/zinc/68/54/44/411685444.db2.gz WMSCHKBDXFZGSX-XSRFYTQQSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)[C@H](N)CC[NH2+]CCC(C)(C)C ZINC000663504067 411687543 /nfs/dbraw/zinc/68/75/43/411687543.db2.gz VQZWGLXMCHBDDI-LLVKDONJSA-N 1 3 200.370 2.386 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000663509287 411691922 /nfs/dbraw/zinc/69/19/22/411691922.db2.gz IQJWPNRHMBRXDP-WCFLWFBJSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[N@H+](C)CCNc1nccc2[nH]ccc21 ZINC000663523335 411696447 /nfs/dbraw/zinc/69/64/47/411696447.db2.gz WKOLMYMTEWFHJN-UHFFFAOYSA-N 1 3 232.331 2.315 20 0 BEADHO CC(C)[N@@H+](C)CCNc1nccc2[nH]ccc21 ZINC000663523335 411696451 /nfs/dbraw/zinc/69/64/51/411696451.db2.gz WKOLMYMTEWFHJN-UHFFFAOYSA-N 1 3 232.331 2.315 20 0 BEADHO CC[C@H](C[C@@H](C)CC)N[C@H](C)C[NH2+]C ZINC000663514825 411696932 /nfs/dbraw/zinc/69/69/32/411696932.db2.gz UKOQVGFPTSSVHV-QJPTWQEYSA-N 1 3 200.370 2.399 20 0 BEADHO CC[C@H](C)C[C@H](CC)N[C@@H](C)C[NH2+]C ZINC000663514827 411697889 /nfs/dbraw/zinc/69/78/89/411697889.db2.gz UKOQVGFPTSSVHV-SRVKXCTJSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000132466019 411981469 /nfs/dbraw/zinc/98/14/69/411981469.db2.gz CQAWMUIBBGEBEE-RTXFEEFZSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000132465642 411981881 /nfs/dbraw/zinc/98/18/81/411981881.db2.gz CQAWMUIBBGEBEE-RAIGVLPGSA-N 1 3 210.365 2.140 20 0 BEADHO C(CN(C1CC1)C1CC[NH2+]CC1)C1CCC1 ZINC000662234205 412033127 /nfs/dbraw/zinc/03/31/27/412033127.db2.gz JQQDRIZFMDSKBH-UHFFFAOYSA-N 1 3 222.376 2.393 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCCC2CCC2)C1 ZINC000662237869 412034871 /nfs/dbraw/zinc/03/48/71/412034871.db2.gz KYTDOXPGTDZRDJ-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CN(CCC[NH3+])CC[C@H]1CCc2ccccc21 ZINC000662247468 412045387 /nfs/dbraw/zinc/04/53/87/412045387.db2.gz ZGIPODSWMJCCGY-CQSZACIVSA-N 1 3 232.371 2.387 20 0 BEADHO C[N@H+](CCCN)CC[C@H]1CCc2ccccc21 ZINC000662247468 412045390 /nfs/dbraw/zinc/04/53/90/412045390.db2.gz ZGIPODSWMJCCGY-CQSZACIVSA-N 1 3 232.371 2.387 20 0 BEADHO C[N@@H+](CCCN)CC[C@H]1CCc2ccccc21 ZINC000662247468 412045393 /nfs/dbraw/zinc/04/53/93/412045393.db2.gz ZGIPODSWMJCCGY-CQSZACIVSA-N 1 3 232.371 2.387 20 0 BEADHO CC(C)=CCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000662282663 412073554 /nfs/dbraw/zinc/07/35/54/412073554.db2.gz PRRMRGUIPJKGAF-OLZOCXBDSA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000662282663 412073556 /nfs/dbraw/zinc/07/35/56/412073556.db2.gz PRRMRGUIPJKGAF-OLZOCXBDSA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662282663 412073561 /nfs/dbraw/zinc/07/35/61/412073561.db2.gz PRRMRGUIPJKGAF-OLZOCXBDSA-N 1 3 210.365 2.259 20 0 BEADHO C[C@H]([NH3+])CN1CC[C@@H](C2CCCCC2)C1 ZINC000662305363 412090365 /nfs/dbraw/zinc/09/03/65/412090365.db2.gz GFAUVCRMZADUSQ-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H](C)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319150 412098504 /nfs/dbraw/zinc/09/85/04/412098504.db2.gz FMIAHFDZJBGLFE-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC(C)CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319934 412098542 /nfs/dbraw/zinc/09/85/42/412098542.db2.gz QWXRRTRVUVYXFJ-CQSZACIVSA-N 1 3 242.407 2.075 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCc2ccccc21 ZINC000662322544 412100819 /nfs/dbraw/zinc/10/08/19/412100819.db2.gz NAFDBNYXEDMZFS-HIFRSBDPSA-N 1 3 244.382 2.258 20 0 BEADHO c1ccc(C23CC(C2)CN3C[C@H]2CC[NH2+]C2)cc1 ZINC000662328526 412104269 /nfs/dbraw/zinc/10/42/69/412104269.db2.gz RPPAUNBWWAEVMH-HLIUYOAVSA-N 1 3 242.366 2.217 20 0 BEADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1CC1(C)C ZINC000662345686 412115923 /nfs/dbraw/zinc/11/59/23/412115923.db2.gz LCEFZRZFNCCBPN-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1CC1(C)C ZINC000662345686 412115928 /nfs/dbraw/zinc/11/59/28/412115928.db2.gz LCEFZRZFNCCBPN-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCNC1 ZINC000665242143 412184446 /nfs/dbraw/zinc/18/44/46/412184446.db2.gz LVEJYLCQJPMURG-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000665242271 412185628 /nfs/dbraw/zinc/18/56/28/412185628.db2.gz QWCMMFGDBNGKSZ-XQQFMLRXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244830 412188825 /nfs/dbraw/zinc/18/88/25/412188825.db2.gz XREQVDRTOWQVCE-JUFZMCDQSA-N 1 3 232.371 2.430 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244830 412188829 /nfs/dbraw/zinc/18/88/29/412188829.db2.gz XREQVDRTOWQVCE-JUFZMCDQSA-N 1 3 232.371 2.430 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244832 412189842 /nfs/dbraw/zinc/18/98/42/412189842.db2.gz XREQVDRTOWQVCE-OXJKWZBOSA-N 1 3 232.371 2.430 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244832 412189844 /nfs/dbraw/zinc/18/98/44/412189844.db2.gz XREQVDRTOWQVCE-OXJKWZBOSA-N 1 3 232.371 2.430 20 0 BEADHO CC1(C)[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1(F)F ZINC000665274802 412214866 /nfs/dbraw/zinc/21/48/66/412214866.db2.gz YOYFCEQJVGPCNP-UTLUCORTSA-N 1 3 232.318 2.137 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000665263051 412205743 /nfs/dbraw/zinc/20/57/43/412205743.db2.gz FDRATALTNLTQEE-ZUWCUPBKSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN1 ZINC000665263051 412205747 /nfs/dbraw/zinc/20/57/47/412205747.db2.gz FDRATALTNLTQEE-ZUWCUPBKSA-N 1 3 222.376 2.153 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000665263927 412207165 /nfs/dbraw/zinc/20/71/65/412207165.db2.gz YGYQNYSWMCGXEK-QMVSFRDZSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@]1(CN[C@H]2CCCCC[C@@H]2[NH3+])CC1(F)F ZINC000665266802 412210089 /nfs/dbraw/zinc/21/00/89/412210089.db2.gz KCAZIQOFVCKVRM-GARJFASQSA-N 1 3 232.318 2.281 20 0 BEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)c1ccccn1 ZINC000665232904 412172968 /nfs/dbraw/zinc/17/29/68/412172968.db2.gz XJYANQPOBIAIPY-NFAWXSAZSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)c1ccccn1 ZINC000665232904 412172972 /nfs/dbraw/zinc/17/29/72/412172972.db2.gz XJYANQPOBIAIPY-NFAWXSAZSA-N 1 3 247.386 2.163 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274022 412216228 /nfs/dbraw/zinc/21/62/28/412216228.db2.gz ICUJSGBQJRROHZ-KBUPBQIOSA-N 1 3 230.355 2.402 20 0 BEADHO CC1(C)[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(F)F ZINC000665274258 412217726 /nfs/dbraw/zinc/21/77/26/412217726.db2.gz MJIRZSRUAFTZIC-KJLIAQIISA-N 1 3 244.329 2.150 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1(F)F ZINC000665274097 412218148 /nfs/dbraw/zinc/21/81/48/412218148.db2.gz JMOVZXYTSIZFRJ-AXFHLTTASA-N 1 3 246.345 2.385 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279532 412220734 /nfs/dbraw/zinc/22/07/34/412220734.db2.gz FSKGIXKNCCSKMZ-CBKZZEEASA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279533 412221300 /nfs/dbraw/zinc/22/13/00/412221300.db2.gz FSKGIXKNCCSKMZ-MRFPXMQZSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H](C)[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665279328 412223367 /nfs/dbraw/zinc/22/33/67/412223367.db2.gz ANAABICCSJWKKR-IJLUTSLNSA-N 1 3 200.370 2.384 20 0 BEADHO CC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccncc1 ZINC000665282537 412227536 /nfs/dbraw/zinc/22/75/36/412227536.db2.gz ZVYYNCKAYHYJIZ-ZIAGYGMSSA-N 1 3 235.375 2.496 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000665297312 412238148 /nfs/dbraw/zinc/23/81/48/412238148.db2.gz CYIHLQWSMVYRMH-WUHRBBMRSA-N 1 3 212.381 2.399 20 0 BEADHO COc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000665294851 412240321 /nfs/dbraw/zinc/24/03/21/412240321.db2.gz XPGCKEHSDMXZON-GXTWGEPZSA-N 1 3 248.370 2.221 20 0 BEADHO COc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1C ZINC000665294831 412240495 /nfs/dbraw/zinc/24/04/95/412240495.db2.gz XIGIGBULIMNYGX-WDEREUQCSA-N 1 3 236.359 2.219 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCC(C)(C)C ZINC000665298431 412246857 /nfs/dbraw/zinc/24/68/57/412246857.db2.gz VXONITORHYNHEC-WDEREUQCSA-N 1 3 200.370 2.399 20 0 BEADHO CN1CCC[C@@H]([NH2+]Cc2ccccc2)CC1 ZINC000076647102 173021376 /nfs/dbraw/zinc/02/13/76/173021376.db2.gz UNVBVZINQUNNCC-CQSZACIVSA-N 1 3 218.344 2.261 20 0 BEADHO C[N@@H+]1CCC[C@@H](NCc2ccccc2)CC1 ZINC000076647102 173021379 /nfs/dbraw/zinc/02/13/79/173021379.db2.gz UNVBVZINQUNNCC-CQSZACIVSA-N 1 3 218.344 2.261 20 0 BEADHO C[N@H+]1CCC[C@@H](NCc2ccccc2)CC1 ZINC000076647102 173021380 /nfs/dbraw/zinc/02/13/80/173021380.db2.gz UNVBVZINQUNNCC-CQSZACIVSA-N 1 3 218.344 2.261 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000120117657 173036399 /nfs/dbraw/zinc/03/63/99/173036399.db2.gz PYGVYQQLMWTVOK-OCCSQVGLSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000120117657 173036400 /nfs/dbraw/zinc/03/64/00/173036400.db2.gz PYGVYQQLMWTVOK-OCCSQVGLSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@@H+]1CCC[C@H](CNCc2ccccc2)C1 ZINC000044534109 173040342 /nfs/dbraw/zinc/04/03/42/173040342.db2.gz ACWIQGVZQNTNBK-CQSZACIVSA-N 1 3 218.344 2.118 20 0 BEADHO C[N@H+]1CCC[C@H](CNCc2ccccc2)C1 ZINC000044534109 173040345 /nfs/dbraw/zinc/04/03/45/173040345.db2.gz ACWIQGVZQNTNBK-CQSZACIVSA-N 1 3 218.344 2.118 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000568248685 322930602 /nfs/dbraw/zinc/93/06/02/322930602.db2.gz XWIVASLKZZZUOQ-KVSVUVNWSA-N 1 3 208.349 2.035 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000336585047 173059942 /nfs/dbraw/zinc/05/99/42/173059942.db2.gz BIGZDHSREYJGTI-UONOGXRCSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000336585047 173059944 /nfs/dbraw/zinc/05/99/44/173059944.db2.gz BIGZDHSREYJGTI-UONOGXRCSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000292882644 173140549 /nfs/dbraw/zinc/14/05/49/173140549.db2.gz XWTSNUJAZRJTFO-CYBMUJFWSA-N 1 3 236.384 2.276 20 0 BEADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000292882644 173140553 /nfs/dbraw/zinc/14/05/53/173140553.db2.gz XWTSNUJAZRJTFO-CYBMUJFWSA-N 1 3 236.384 2.276 20 0 BEADHO C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC000011889157 173338381 /nfs/dbraw/zinc/33/83/81/173338381.db2.gz XWYDOBYPCHYQAR-UHFFFAOYSA-N 1 3 236.334 2.257 20 0 BEADHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093209644 175112143 /nfs/dbraw/zinc/11/21/43/175112143.db2.gz DIOOHLZCSWWPID-OLZOCXBDSA-N 1 3 234.343 2.055 20 0 BEADHO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000160096870 175189033 /nfs/dbraw/zinc/18/90/33/175189033.db2.gz IVPAUBUHIADKKF-CORIIIEPSA-N 1 3 248.370 2.473 20 0 BEADHO COc1cccc([C@H](C)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000226537924 175292155 /nfs/dbraw/zinc/29/21/55/175292155.db2.gz HLUMIFWZKIFFGL-MBNYWOFBSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309769225 176123154 /nfs/dbraw/zinc/12/31/54/176123154.db2.gz KCHPGNKXHCYYBZ-TZMCWYRMSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CCC[C@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359294844 176136788 /nfs/dbraw/zinc/13/67/88/176136788.db2.gz AUVFLLAFSVICSF-TUVASFSCSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000252770748 176145487 /nfs/dbraw/zinc/14/54/87/176145487.db2.gz ICPPAPNNHHPOIQ-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251604130 176316729 /nfs/dbraw/zinc/31/67/29/176316729.db2.gz DEXULUOWZSCBAU-YRGRVCCFSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000122312810 176368290 /nfs/dbraw/zinc/36/82/90/176368290.db2.gz CGUUJETWSSGYCW-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCCCC1 ZINC000122312810 176368292 /nfs/dbraw/zinc/36/82/92/176368292.db2.gz CGUUJETWSSGYCW-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)[C@@H]1C ZINC000308975993 176374798 /nfs/dbraw/zinc/37/47/98/176374798.db2.gz ILICCWGQNOLDCX-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](NCCC[NH3+])c1ccc(Cl)cc1 ZINC000037713173 176844860 /nfs/dbraw/zinc/84/48/60/176844860.db2.gz JWZDYPDBWXQYIR-VIFPVBQESA-N 1 3 212.724 2.339 20 0 BEADHO C[C@H]1CCCC[C@H]1C[NH2+]C1CCNCC1 ZINC000042859665 177085898 /nfs/dbraw/zinc/08/58/98/177085898.db2.gz ZPZJICWFVVSSJU-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC000235697316 177122805 /nfs/dbraw/zinc/12/28/05/177122805.db2.gz ULBIUFNMPDAOQF-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCC[C@H](C[NH2+]C2CCNCC2)C1 ZINC000235629208 177133602 /nfs/dbraw/zinc/13/36/02/177133602.db2.gz AZNKFFCOWTVZBM-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000059535381 177166109 /nfs/dbraw/zinc/16/61/09/177166109.db2.gz FKMJKEQHUVZBJG-JSGCOSHPSA-N 1 3 218.344 2.103 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000126723836 177324728 /nfs/dbraw/zinc/32/47/28/177324728.db2.gz YCWOXAIQSXHGFV-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000126723836 177324730 /nfs/dbraw/zinc/32/47/30/177324730.db2.gz YCWOXAIQSXHGFV-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[C@H]1CN(CCC[NH3+])Cc1ccccc1 ZINC000339406332 177378957 /nfs/dbraw/zinc/37/89/57/177378957.db2.gz GEGUPNWLMMYFKQ-ZFWWWQNUSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@H]1C[C@H]1C[N@H+](CCCN)Cc1ccccc1 ZINC000339406332 177378959 /nfs/dbraw/zinc/37/89/59/177378959.db2.gz GEGUPNWLMMYFKQ-ZFWWWQNUSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@H]1C[C@H]1C[N@@H+](CCCN)Cc1ccccc1 ZINC000339406332 177378961 /nfs/dbraw/zinc/37/89/61/177378961.db2.gz GEGUPNWLMMYFKQ-ZFWWWQNUSA-N 1 3 232.371 2.493 20 0 BEADHO C[C@H]1C[C@H]1C[N@H+](CCCN)CC1CCCC1 ZINC000352539480 177379341 /nfs/dbraw/zinc/37/93/41/177379341.db2.gz BCUPORVVHDLWTI-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1C[C@H]1C[N@@H+](CCCN)CC1CCCC1 ZINC000352539480 177379343 /nfs/dbraw/zinc/37/93/43/177379343.db2.gz BCUPORVVHDLWTI-JSGCOSHPSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000400378476 226342069 /nfs/dbraw/zinc/34/20/69/226342069.db2.gz JMFGYNGFYSLMHM-GMXVVIOVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCCC1 ZINC000400378476 226342070 /nfs/dbraw/zinc/34/20/70/226342070.db2.gz JMFGYNGFYSLMHM-GMXVVIOVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](N[C@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400630249 226347955 /nfs/dbraw/zinc/34/79/55/226347955.db2.gz LPLFJCSAWJOUJS-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@H]1CCCN1 ZINC000400630249 226347956 /nfs/dbraw/zinc/34/79/56/226347956.db2.gz LPLFJCSAWJOUJS-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C)CCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000232771069 487652639 /nfs/dbraw/zinc/65/26/39/487652639.db2.gz IIVRMYGTVLTNKV-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CN1CC[C@H]([NH2+]C/C=C/Cl)CC1(C)C ZINC000898430119 584134043 /nfs/dbraw/zinc/13/40/43/584134043.db2.gz UXAMDJMOODIHSP-RWCYGVJQSA-N 1 3 216.756 2.201 20 0 BEADHO C[NH2+]CCN[C@@H]1CCC[C@@H]1CCC(C)C ZINC000414838041 487693485 /nfs/dbraw/zinc/69/34/85/487693485.db2.gz YJHRLQGDOZLHCT-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000088169918 487708524 /nfs/dbraw/zinc/70/85/24/487708524.db2.gz VDNWWONLSFYFKI-CYZMBNFOSA-N 1 3 219.332 2.002 20 0 BEADHO FC(F)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000681112206 487730955 /nfs/dbraw/zinc/73/09/55/487730955.db2.gz BTCWWZWMLVIQLK-RUJICJSRSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000681112206 487730959 /nfs/dbraw/zinc/73/09/59/487730959.db2.gz BTCWWZWMLVIQLK-RUJICJSRSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000681112206 487730962 /nfs/dbraw/zinc/73/09/62/487730962.db2.gz BTCWWZWMLVIQLK-RUJICJSRSA-N 1 3 244.329 2.247 20 0 BEADHO C(C1CCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250681433 487739473 /nfs/dbraw/zinc/73/94/73/487739473.db2.gz YMTNIUSCZAGENU-ZIAGYGMSSA-N 1 3 222.376 2.251 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250859520 487742386 /nfs/dbraw/zinc/74/23/86/487742386.db2.gz RONDBQFZNZFUGK-GUTXKFCHSA-N 1 3 230.355 2.043 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250869252 487743100 /nfs/dbraw/zinc/74/31/00/487743100.db2.gz YAYUQTHOLNSXAG-LZWOXQAQSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C(C)(C)C ZINC000251138869 487749535 /nfs/dbraw/zinc/74/95/35/487749535.db2.gz VYRIYRFLOCZPJD-WOPDTQHZSA-N 1 3 212.381 2.386 20 0 BEADHO Cc1oc2ccccc2c1C[NH2+][C@@H](C)CN ZINC000414949367 487773790 /nfs/dbraw/zinc/77/37/90/487773790.db2.gz ZGQIOXYWWQQERM-VIFPVBQESA-N 1 3 218.300 2.178 20 0 BEADHO CC[C@@H]1C[N@H+](CCCC(C)C)CC[C@H]1N ZINC000251720823 487793147 /nfs/dbraw/zinc/79/31/47/487793147.db2.gz JYGUWFSKABZEFL-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](CCCC(C)C)CC[C@H]1N ZINC000251720823 487793153 /nfs/dbraw/zinc/79/31/53/487793153.db2.gz JYGUWFSKABZEFL-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@H]1CN(CCCC(C)C)CC[C@H]1[NH3+] ZINC000251720823 487793158 /nfs/dbraw/zinc/79/31/58/487793158.db2.gz JYGUWFSKABZEFL-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[NH2+]CCNC[C@H](C)C(C)(C)C ZINC000162996908 487795403 /nfs/dbraw/zinc/79/54/03/487795403.db2.gz NFSJVCAJLMYGLT-NSHDSACASA-N 1 3 200.370 2.258 20 0 BEADHO C[N@H+](CCCCNCc1nccs1)C1CC1 ZINC000651600486 487797585 /nfs/dbraw/zinc/79/75/85/487797585.db2.gz JYWCQPNOWLSOEZ-UHFFFAOYSA-N 1 3 239.388 2.107 20 0 BEADHO C[N@@H+](CCCCNCc1nccs1)C1CC1 ZINC000651600486 487797590 /nfs/dbraw/zinc/79/75/90/487797590.db2.gz JYWCQPNOWLSOEZ-UHFFFAOYSA-N 1 3 239.388 2.107 20 0 BEADHO C[C@@H](CC[N@H+](C)CCCF)N(C)CCCF ZINC000887141239 592457952 /nfs/dbraw/zinc/45/79/52/592457952.db2.gz KPEFKSZOVLJPDL-LBPRGKRZSA-N 1 3 236.350 2.348 20 0 BEADHO C[C@@H](CC[N@@H+](C)CCCF)N(C)CCCF ZINC000887141239 592457958 /nfs/dbraw/zinc/45/79/58/592457958.db2.gz KPEFKSZOVLJPDL-LBPRGKRZSA-N 1 3 236.350 2.348 20 0 BEADHO C[C@H](C[N@H+]1CCC[C@H](CN)C1)C(C)(C)C ZINC000308839017 631677452 /nfs/dbraw/zinc/67/74/52/631677452.db2.gz XUZNTULKTWUHMB-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO CC[C@@H]1CN(C)c2ccccc2CN1CCC[NH3+] ZINC000666650360 487851960 /nfs/dbraw/zinc/85/19/60/487851960.db2.gz LTHKLVSPTNHPAP-CQSZACIVSA-N 1 3 247.386 2.066 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CCCNC1 ZINC000666765797 487873608 /nfs/dbraw/zinc/87/36/08/487873608.db2.gz ZNZVVXIZTZHBPY-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1CCCNC1 ZINC000666765798 487874532 /nfs/dbraw/zinc/87/45/32/487874532.db2.gz ZNZVVXIZTZHBPY-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC000666834293 487888241 /nfs/dbraw/zinc/88/82/41/487888241.db2.gz ZPJBTFZQPYMEIU-HNNXBMFYSA-N 1 3 230.355 2.391 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cccc2cnccc21 ZINC000666832351 487888386 /nfs/dbraw/zinc/88/83/86/487888386.db2.gz SSNIBZFCNGXSQA-NSHDSACASA-N 1 3 229.327 2.062 20 0 BEADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 ZINC000666853118 487891104 /nfs/dbraw/zinc/89/11/04/487891104.db2.gz MXKPQFPIBHHGQE-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666857876 487892041 /nfs/dbraw/zinc/89/20/41/487892041.db2.gz NORBYRPPWGOECI-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccccc1C1CC1 ZINC000666910473 487901650 /nfs/dbraw/zinc/90/16/50/487901650.db2.gz TTXVFFINBQHBJM-ZDUSSCGKSA-N 1 3 218.344 2.391 20 0 BEADHO COc1cccc(CN[C@H](C)CCC[NH3+])c1F ZINC000666942058 487907280 /nfs/dbraw/zinc/90/72/80/487907280.db2.gz GSLKHALLXHRPLS-SNVBAGLBSA-N 1 3 240.322 2.051 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000666931723 487907300 /nfs/dbraw/zinc/90/73/00/487907300.db2.gz PEYDWNZATICNNG-GHMZBOCLSA-N 1 3 229.327 2.060 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)[C@H](C)N ZINC000666931726 487907567 /nfs/dbraw/zinc/90/75/67/487907567.db2.gz PEYDWNZATICNNG-WDEREUQCSA-N 1 3 229.327 2.060 20 0 BEADHO Cc1ccc(F)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952280 487914430 /nfs/dbraw/zinc/91/44/30/487914430.db2.gz OBZGLCSDBNHAHL-AWEZNQCLSA-N 1 3 248.345 2.366 20 0 BEADHO C[C@@H](CC1CC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995394 487924713 /nfs/dbraw/zinc/92/47/13/487924713.db2.gz MTKUJDDFJCPDBK-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO C1CC2(C1)C[C@H]([NH2+][C@@H]1CCCSC1)CCN2 ZINC000666995665 487924984 /nfs/dbraw/zinc/92/49/84/487924984.db2.gz VPUHEODVETWDBB-VXGBXAGGSA-N 1 3 240.416 2.146 20 0 BEADHO C1CC2(C1)C[C@H](N[C@@H]1CCCSC1)CC[NH2+]2 ZINC000666995665 487924988 /nfs/dbraw/zinc/92/49/88/487924988.db2.gz VPUHEODVETWDBB-VXGBXAGGSA-N 1 3 240.416 2.146 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CC[C@@H](C2CCC2)C1 ZINC000667060728 487929151 /nfs/dbraw/zinc/92/91/51/487929151.db2.gz HZIYSMVTKOUQFW-KGLIPLIRSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccnc2ccccc12 ZINC000564970362 322984210 /nfs/dbraw/zinc/98/42/10/322984210.db2.gz JTFBWNZQOYZSRT-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO CCCOc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000560942770 322993679 /nfs/dbraw/zinc/99/36/79/322993679.db2.gz CEDZWDULYCGCLD-GFCCVEGCSA-N 1 3 236.359 2.160 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000247137887 323012243 /nfs/dbraw/zinc/01/22/43/323012243.db2.gz SDQJFFZKWWRFBI-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CC1(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000562364348 323017846 /nfs/dbraw/zinc/01/78/46/323017846.db2.gz SQKFYFVGYDEUSL-ZDUSSCGKSA-N 1 3 222.376 2.204 20 0 BEADHO CC1(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000562364348 323017847 /nfs/dbraw/zinc/01/78/47/323017847.db2.gz SQKFYFVGYDEUSL-ZDUSSCGKSA-N 1 3 222.376 2.204 20 0 BEADHO CC1(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000562364348 323017848 /nfs/dbraw/zinc/01/78/48/323017848.db2.gz SQKFYFVGYDEUSL-ZDUSSCGKSA-N 1 3 222.376 2.204 20 0 BEADHO CCN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](C)OC ZINC000569897534 323043716 /nfs/dbraw/zinc/04/37/16/323043716.db2.gz PASRFZRZWZUBOW-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000570107603 323050265 /nfs/dbraw/zinc/05/02/65/323050265.db2.gz XURHFGCJIMBPDJ-MRVWCRGKSA-N 1 3 248.370 2.183 20 0 BEADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1cscn1 ZINC000570832114 323072134 /nfs/dbraw/zinc/07/21/34/323072134.db2.gz UDPRERXALFDIIF-DCAQKATOSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC12CCC2)CN(C)C ZINC000394829902 323086089 /nfs/dbraw/zinc/08/60/89/323086089.db2.gz TUVDINLIAAGHMB-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO COC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CC1 ZINC000397299469 323087406 /nfs/dbraw/zinc/08/74/06/323087406.db2.gz CTTVNRIDWFBGHJ-KFWWJZLASA-N 1 3 246.354 2.146 20 0 BEADHO COc1ccccc1/C=C\CN[C@H](C)C[C@@H](C)[NH3+] ZINC000563135340 323094697 /nfs/dbraw/zinc/09/46/97/323094697.db2.gz JHDYFYLATFTSRJ-YVNFWLBFSA-N 1 3 248.370 2.424 20 0 BEADHO C[C@H](N[C@H]1CCC[C@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000563154713 323095765 /nfs/dbraw/zinc/09/57/65/323095765.db2.gz TWALEVYVDCCQEL-ZDEQEGDKSA-N 1 3 228.355 2.387 20 0 BEADHO CC(C)C(C)(C)NCC[NH2+]C(C)(C)C ZINC000563430740 323125110 /nfs/dbraw/zinc/12/51/10/323125110.db2.gz PRIUIMFFPVRECJ-UHFFFAOYSA-N 1 3 200.370 2.399 20 0 BEADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000324209180 323136248 /nfs/dbraw/zinc/13/62/48/323136248.db2.gz CQGUHTDKGKSPFH-YPMHNXCESA-N 1 3 210.365 2.010 20 0 BEADHO CCC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OCC ZINC000530209428 323209830 /nfs/dbraw/zinc/20/98/30/323209830.db2.gz HNGAOOOKVHLJJM-QNMSZWNNSA-N 1 3 240.391 2.064 20 0 BEADHO C1CC1[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCC1 ZINC000530214823 323216879 /nfs/dbraw/zinc/21/68/79/323216879.db2.gz CYWFIGSNQIGHJP-UONOGXRCSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530214823 323216881 /nfs/dbraw/zinc/21/68/81/323216881.db2.gz CYWFIGSNQIGHJP-UONOGXRCSA-N 1 3 234.387 2.439 20 0 BEADHO Cc1ncccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000530219803 323217917 /nfs/dbraw/zinc/21/79/17/323217917.db2.gz KGQZVOQQBFLXAY-UONOGXRCSA-N 1 3 233.359 2.140 20 0 BEADHO Cc1ncccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000530219811 323218105 /nfs/dbraw/zinc/21/81/05/323218105.db2.gz KGQZVOQQBFLXAY-ZIAGYGMSSA-N 1 3 233.359 2.140 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C1CCC1 ZINC000324908066 323301863 /nfs/dbraw/zinc/30/18/63/323301863.db2.gz ITUBURVQVSBEJV-DRZSPHRISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C1CCC1 ZINC000324908068 323301968 /nfs/dbraw/zinc/30/19/68/323301968.db2.gz ITUBURVQVSBEJV-WCFLWFBJSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)N(C)CCC[NH2+]C1CCSCC1 ZINC000163630818 324130487 /nfs/dbraw/zinc/13/04/87/324130487.db2.gz NOWNPOFKEZSUKW-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO FCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000304297943 324200030 /nfs/dbraw/zinc/20/00/30/324200030.db2.gz ZXUDQOOKNJUUQR-FRRDWIJNSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000304297943 324200034 /nfs/dbraw/zinc/20/00/34/324200034.db2.gz ZXUDQOOKNJUUQR-FRRDWIJNSA-N 1 3 228.355 2.246 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCCC1(C)C)C1CNC1 ZINC000530210028 324526822 /nfs/dbraw/zinc/52/68/22/324526822.db2.gz KIJLVLLOFDPYBS-DGCLKSJQSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000530215572 324531314 /nfs/dbraw/zinc/53/13/14/324531314.db2.gz HOALDJSNEXCGDE-LLVKDONJSA-N 1 3 245.370 2.466 20 0 BEADHO C(CNC1(C2CC2)CC1)C[NH2+]C1(C2CC2)CC1 ZINC000543455297 325090254 /nfs/dbraw/zinc/09/02/54/325090254.db2.gz WEONHVLABSGJPO-UHFFFAOYSA-N 1 3 234.387 2.441 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000566087900 325991524 /nfs/dbraw/zinc/99/15/24/325991524.db2.gz BVLZTMQSMZWHCK-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226561 326018312 /nfs/dbraw/zinc/01/83/12/326018312.db2.gz ZBEDVDNWUYPQLE-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC000566226561 326018315 /nfs/dbraw/zinc/01/83/15/326018315.db2.gz ZBEDVDNWUYPQLE-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000566483161 326056432 /nfs/dbraw/zinc/05/64/32/326056432.db2.gz ZHFNKSSXVBBWHK-ONGXEEELSA-N 1 3 232.318 2.424 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000566985647 326100147 /nfs/dbraw/zinc/10/01/47/326100147.db2.gz RZQQOUHDJQAYKQ-ZIAGYGMSSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccnc1CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566985647 326100150 /nfs/dbraw/zinc/10/01/50/326100150.db2.gz RZQQOUHDJQAYKQ-ZIAGYGMSSA-N 1 3 247.386 2.182 20 0 BEADHO CCNCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000567159353 326125553 /nfs/dbraw/zinc/12/55/53/326125553.db2.gz MGRGPKGFTAYRCY-NSHDSACASA-N 1 3 230.421 2.107 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCC1CC1 ZINC000156834557 326243932 /nfs/dbraw/zinc/24/39/32/326243932.db2.gz FKEYESGGJDKEDA-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000567735664 326253209 /nfs/dbraw/zinc/25/32/09/326253209.db2.gz OQJSYQNPUFPWCW-RNJOBUHISA-N 1 3 228.355 2.374 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC12CC2)CN(C)C ZINC000568277319 326340116 /nfs/dbraw/zinc/34/01/16/326340116.db2.gz VNFQAFWJGBKORS-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO CCNCCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000568617076 326367942 /nfs/dbraw/zinc/36/79/42/326367942.db2.gz BDBWUSZJBPOXGS-ITGUQSILSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[N@H+](C1CC1)C1CCCCC1 ZINC000309650788 488011346 /nfs/dbraw/zinc/01/13/46/488011346.db2.gz SSZIHCXWPWQFEK-UHFFFAOYSA-N 1 3 210.365 2.393 20 0 BEADHO CNCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000309650788 488011348 /nfs/dbraw/zinc/01/13/48/488011348.db2.gz SSZIHCXWPWQFEK-UHFFFAOYSA-N 1 3 210.365 2.393 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCCC(C)C ZINC000663510257 488055224 /nfs/dbraw/zinc/05/52/24/488055224.db2.gz CTEBQZZIGQWHEI-NWDGAFQWSA-N 1 3 200.370 2.399 20 0 BEADHO Cc1ccnc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000683010616 488090625 /nfs/dbraw/zinc/09/06/25/488090625.db2.gz CIFDNNGOQCENOW-HIFRSBDPSA-N 1 3 247.386 2.305 20 0 BEADHO Cc1ccnc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000683010616 488090627 /nfs/dbraw/zinc/09/06/27/488090627.db2.gz CIFDNNGOQCENOW-HIFRSBDPSA-N 1 3 247.386 2.305 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000378960177 488113997 /nfs/dbraw/zinc/11/39/97/488113997.db2.gz POGJRQPEEFMITM-APIJFGDWSA-N 1 3 236.403 2.495 20 0 BEADHO CCN1CC[C@@H]([NH2+]Cc2ccoc2C)[C@H](C)C1 ZINC000675780435 488120865 /nfs/dbraw/zinc/12/08/65/488120865.db2.gz YJCKWQVZDWVTPD-BXUZGUMPSA-N 1 3 236.359 2.408 20 0 BEADHO CCN1CC[C@H]([NH2+]Cc2ccoc2C)[C@H](C)C1 ZINC000675780437 488121267 /nfs/dbraw/zinc/12/12/67/488121267.db2.gz YJCKWQVZDWVTPD-RISCZKNCSA-N 1 3 236.359 2.408 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000403519771 488125267 /nfs/dbraw/zinc/12/52/67/488125267.db2.gz KQDUDFIGLPHXTF-OWYFMNJBSA-N 1 3 248.414 2.483 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000403519771 488125271 /nfs/dbraw/zinc/12/52/71/488125271.db2.gz KQDUDFIGLPHXTF-OWYFMNJBSA-N 1 3 248.414 2.483 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C1(C)C ZINC000233783001 488127257 /nfs/dbraw/zinc/12/72/57/488127257.db2.gz LOTNNEUPSUEOBI-VXGBXAGGSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1ccccc1C(C)(C)CNCCC[NH3+] ZINC000258732515 488130611 /nfs/dbraw/zinc/13/06/11/488130611.db2.gz KBYCHLJWBILHLG-UHFFFAOYSA-N 1 3 220.360 2.211 20 0 BEADHO Cc1ccccc1C(C)(C)C[NH2+]CCCN ZINC000258732515 488130606 /nfs/dbraw/zinc/13/06/06/488130606.db2.gz KBYCHLJWBILHLG-UHFFFAOYSA-N 1 3 220.360 2.211 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC000094528204 487539253 /nfs/dbraw/zinc/53/92/53/487539253.db2.gz BGSXLELWNBWRQN-LBPRGKRZSA-N 1 3 230.355 2.345 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000381019346 487493158 /nfs/dbraw/zinc/49/31/58/487493158.db2.gz OROIAMZHXZVGBE-HOTGVXAUSA-N 1 3 244.382 2.290 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000381019346 487493159 /nfs/dbraw/zinc/49/31/59/487493159.db2.gz OROIAMZHXZVGBE-HOTGVXAUSA-N 1 3 244.382 2.290 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000300366619 487511084 /nfs/dbraw/zinc/51/10/84/487511084.db2.gz LHIIPHUNEOEBBJ-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000680010333 487516753 /nfs/dbraw/zinc/51/67/53/487516753.db2.gz MOCRTACAALJLML-GFCCVEGCSA-N 1 3 219.332 2.002 20 0 BEADHO CC[C@@H](C)[NH+]1CCN(c2ccncc2)CC1 ZINC000680010333 487516757 /nfs/dbraw/zinc/51/67/57/487516757.db2.gz MOCRTACAALJLML-GFCCVEGCSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CCCC2CCC2)C1 ZINC000662274040 487522657 /nfs/dbraw/zinc/52/26/57/487522657.db2.gz SMCXRVCAQXRUKN-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CCCC2CCC2)C1 ZINC000662274040 487522660 /nfs/dbraw/zinc/52/26/60/487522660.db2.gz SMCXRVCAQXRUKN-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000093209570 488139245 /nfs/dbraw/zinc/13/92/45/488139245.db2.gz XSJJDFKHZZBQKC-KBPBESRZSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093209570 488139254 /nfs/dbraw/zinc/13/92/54/488139254.db2.gz XSJJDFKHZZBQKC-KBPBESRZSA-N 1 3 248.370 2.097 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1C ZINC000258852614 488139615 /nfs/dbraw/zinc/13/96/15/488139615.db2.gz FEWCIMOYSDFQQW-CABCVRRESA-N 1 3 232.371 2.315 20 0 BEADHO CC(C)=CCC[NH2+][C@H]1CCNCC1(C)C ZINC000397871226 488161248 /nfs/dbraw/zinc/16/12/48/488161248.db2.gz IXMDTFOCEYJJBD-LBPRGKRZSA-N 1 3 210.365 2.320 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCNCC1)C(C)(C)C ZINC000168781153 488164433 /nfs/dbraw/zinc/16/44/33/488164433.db2.gz CXXGZGWMBHMBAP-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CCC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000678343076 488243197 /nfs/dbraw/zinc/24/31/97/488243197.db2.gz LSFGOOQRUQKHMI-BFHYXJOUSA-N 1 3 236.403 2.354 20 0 BEADHO CC(C)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000684574944 488328449 /nfs/dbraw/zinc/32/84/49/488328449.db2.gz HXEKSMIGCGCQIW-UHFFFAOYSA-N 1 3 233.359 2.250 20 0 BEADHO CC(C)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000684574944 488328451 /nfs/dbraw/zinc/32/84/51/488328451.db2.gz HXEKSMIGCGCQIW-UHFFFAOYSA-N 1 3 233.359 2.250 20 0 BEADHO Cc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459723582 490132743 /nfs/dbraw/zinc/13/27/43/490132743.db2.gz AERBXNWYGILKDD-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459723582 490132753 /nfs/dbraw/zinc/13/27/53/490132753.db2.gz AERBXNWYGILKDD-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO COc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000577887122 490221025 /nfs/dbraw/zinc/22/10/25/490221025.db2.gz FIDLLDYWYHAFMA-ZIAGYGMSSA-N 1 3 248.370 2.363 20 0 BEADHO Cc1ccncc1[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000293659109 491114349 /nfs/dbraw/zinc/11/43/49/491114349.db2.gz LUIHTCRZTMCQIS-YPMHNXCESA-N 1 3 235.375 2.238 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000086402329 491123842 /nfs/dbraw/zinc/12/38/42/491123842.db2.gz HBOSQUMJIVJVSP-NEPJUHHUSA-N 1 3 208.349 2.035 20 0 BEADHO CC[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000086682308 491124063 /nfs/dbraw/zinc/12/40/63/491124063.db2.gz TUVFFLVNIUDEGE-SECBINFHSA-N 1 3 210.296 2.173 20 0 BEADHO C[C@@H]1C[C@H]1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000488336111 534016369 /nfs/dbraw/zinc/01/63/69/534016369.db2.gz SYXMAGKAVCJLJL-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@H]1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000488336111 534016375 /nfs/dbraw/zinc/01/63/75/534016375.db2.gz SYXMAGKAVCJLJL-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@H]1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000488336105 534019764 /nfs/dbraw/zinc/01/97/64/534019764.db2.gz SYXMAGKAVCJLJL-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@H]1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000488336105 534019771 /nfs/dbraw/zinc/01/97/71/534019771.db2.gz SYXMAGKAVCJLJL-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1CCCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000261537122 535819210 /nfs/dbraw/zinc/81/92/10/535819210.db2.gz UXMBZFHWTXMKMS-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000261537122 535819211 /nfs/dbraw/zinc/81/92/11/535819211.db2.gz UXMBZFHWTXMKMS-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CCN(C)CC2)[C@H]1C ZINC000891860926 582730572 /nfs/dbraw/zinc/73/05/72/582730572.db2.gz DUIDBGMWSPUHQF-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)[C@H]1C ZINC000891860926 582730577 /nfs/dbraw/zinc/73/05/77/582730577.db2.gz DUIDBGMWSPUHQF-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)C[C@@H]1C ZINC000892066934 582783298 /nfs/dbraw/zinc/78/32/98/582783298.db2.gz ZRLYIJGNCUPQJM-OLZOCXBDSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@@H]1C ZINC000892066934 582783300 /nfs/dbraw/zinc/78/33/00/582783300.db2.gz ZRLYIJGNCUPQJM-OLZOCXBDSA-N 1 3 224.392 2.306 20 0 BEADHO CN(CCC1CCCC1)C1CC[NH2+]CC1 ZINC000258963901 536320680 /nfs/dbraw/zinc/32/06/80/536320680.db2.gz LBCAPTPIFJOOHE-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252668352 534613222 /nfs/dbraw/zinc/61/32/22/534613222.db2.gz VJNQQHQMQXDHRS-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668352 534613227 /nfs/dbraw/zinc/61/32/27/534613227.db2.gz VJNQQHQMQXDHRS-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668352 534613240 /nfs/dbraw/zinc/61/32/40/534613240.db2.gz VJNQQHQMQXDHRS-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]2CCCCN2)C1 ZINC000242463580 525210708 /nfs/dbraw/zinc/21/07/08/525210708.db2.gz DFIGHHKRSRRDCH-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H](C)CN(CC[C@H]2CCCC[NH2+]2)C1 ZINC000242463580 525210716 /nfs/dbraw/zinc/21/07/16/525210716.db2.gz DFIGHHKRSRRDCH-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486986781 527742582 /nfs/dbraw/zinc/74/25/82/527742582.db2.gz ZKHLNODXCAUKFB-JZIMQPMSSA-N 1 3 245.370 2.026 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839201 /nfs/dbraw/zinc/83/92/01/527839201.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839181 /nfs/dbraw/zinc/83/91/81/527839181.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839188 /nfs/dbraw/zinc/83/91/88/527839188.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000488321746 527839194 /nfs/dbraw/zinc/83/91/94/527839194.db2.gz NRIMXTQTWXXTBZ-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000488351657 528175863 /nfs/dbraw/zinc/17/58/63/528175863.db2.gz FSKVYUXDQYLKJT-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488351657 528175866 /nfs/dbraw/zinc/17/58/66/528175866.db2.gz FSKVYUXDQYLKJT-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488351657 528175873 /nfs/dbraw/zinc/17/58/73/528175873.db2.gz FSKVYUXDQYLKJT-IHRRRGAJSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871840 534950006 /nfs/dbraw/zinc/95/00/06/534950006.db2.gz LHDCCVOSHJHJBY-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173871840 534950011 /nfs/dbraw/zinc/95/00/11/534950011.db2.gz LHDCCVOSHJHJBY-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO CCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173871840 534950016 /nfs/dbraw/zinc/95/00/16/534950016.db2.gz LHDCCVOSHJHJBY-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO CC(C)(CC[NH2+]C1CCNCC1)C1CC1 ZINC000262312989 535038818 /nfs/dbraw/zinc/03/88/18/535038818.db2.gz ZFZJVJCDGSSPRC-UHFFFAOYSA-N 1 3 210.365 2.154 20 0 BEADHO CCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252732459 535296446 /nfs/dbraw/zinc/29/64/46/535296446.db2.gz VDXFCZBOUYYXFI-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252732459 535296447 /nfs/dbraw/zinc/29/64/47/535296447.db2.gz VDXFCZBOUYYXFI-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252732459 535296456 /nfs/dbraw/zinc/29/64/56/535296456.db2.gz VDXFCZBOUYYXFI-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCOC ZINC000348309345 535592696 /nfs/dbraw/zinc/59/26/96/535592696.db2.gz FXHVBTOTABMMEX-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCOC ZINC000348309345 535592701 /nfs/dbraw/zinc/59/27/01/535592701.db2.gz FXHVBTOTABMMEX-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000253226532 535611572 /nfs/dbraw/zinc/61/15/72/535611572.db2.gz JFLMCKHONSKUBU-AVGNSLFASA-N 1 3 212.381 2.339 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000253226532 535611575 /nfs/dbraw/zinc/61/15/75/535611575.db2.gz JFLMCKHONSKUBU-AVGNSLFASA-N 1 3 212.381 2.339 20 0 BEADHO CCc1ccc(CCN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261704998 536170320 /nfs/dbraw/zinc/17/03/20/536170320.db2.gz LXCLGEKIBCTOHP-MRXNPFEDSA-N 1 3 246.398 2.462 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000252682945 536375238 /nfs/dbraw/zinc/37/52/38/536375238.db2.gz CXZRGFALEOHGSN-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCC[C@H](C)C2)C1 ZINC000252682945 536375239 /nfs/dbraw/zinc/37/52/39/536375239.db2.gz CXZRGFALEOHGSN-RWMBFGLXSA-N 1 3 210.365 2.106 20 0 BEADHO CCCC[C@H](CC)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251315567 566431822 /nfs/dbraw/zinc/43/18/22/566431822.db2.gz JKDGBULEUOPIDQ-IHRRRGAJSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000854229936 588781131 /nfs/dbraw/zinc/78/11/31/588781131.db2.gz ARQQKANOQRCKRZ-YNEHKIRRSA-N 1 3 212.381 2.384 20 0 BEADHO C1C[C@H]([NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1 ZINC000854222332 588780174 /nfs/dbraw/zinc/78/01/74/588780174.db2.gz DQEKDOYOTGQRDT-CRWXNKLISA-N 1 3 222.376 2.297 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000891934141 582739878 /nfs/dbraw/zinc/73/98/78/582739878.db2.gz WYPMUCBKTFYXPB-CQSZACIVSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000891934141 582739880 /nfs/dbraw/zinc/73/98/80/582739880.db2.gz WYPMUCBKTFYXPB-CQSZACIVSA-N 1 3 222.376 2.203 20 0 BEADHO Cc1coc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000893939289 583255265 /nfs/dbraw/zinc/25/52/65/583255265.db2.gz DOAKAIFTSFZMHJ-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](CF)C1 ZINC000880237079 583505836 /nfs/dbraw/zinc/50/58/36/583505836.db2.gz PQJFWUHTRMIKBL-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](CF)C1 ZINC000880237079 583505838 /nfs/dbraw/zinc/50/58/38/583505838.db2.gz PQJFWUHTRMIKBL-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000894959557 583559499 /nfs/dbraw/zinc/55/94/99/583559499.db2.gz YIRCEFYWDLFQIZ-FRRDWIJNSA-N 1 3 224.392 2.305 20 0 BEADHO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000894959557 583559501 /nfs/dbraw/zinc/55/95/01/583559501.db2.gz YIRCEFYWDLFQIZ-FRRDWIJNSA-N 1 3 224.392 2.305 20 0 BEADHO C[NH+]1CCC(CN2CC(C)(CC(F)F)C2)CC1 ZINC000895105157 583589536 /nfs/dbraw/zinc/58/95/36/583589536.db2.gz PIDNJNPALOSICF-UHFFFAOYSA-N 1 3 246.345 2.305 20 0 BEADHO CC1=CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000895294349 583638369 /nfs/dbraw/zinc/63/83/69/583638369.db2.gz UJYMSPDZZVTDMJ-CHWSQXEVSA-N 1 3 210.365 2.415 20 0 BEADHO COC[C@H](CC(C)(C)C)NCC[C@@H](C)[NH+](C)C ZINC000895292592 583638810 /nfs/dbraw/zinc/63/88/10/583638810.db2.gz RAUGZAPBGNUZEZ-OLZOCXBDSA-N 1 3 244.423 2.367 20 0 BEADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N(C)C)CS1 ZINC000895293729 583639448 /nfs/dbraw/zinc/63/94/48/583639448.db2.gz KPPKZNQVOXOVQW-UPJWGTAASA-N 1 3 244.448 2.446 20 0 BEADHO CC(C)[C@@H]1C[C@@H](NCC[C@@H](C)[NH+](C)C)CS1 ZINC000895293729 583639450 /nfs/dbraw/zinc/63/94/50/583639450.db2.gz KPPKZNQVOXOVQW-UPJWGTAASA-N 1 3 244.448 2.446 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000895384269 583662862 /nfs/dbraw/zinc/66/28/62/583662862.db2.gz VIBHAVKVSDCIHX-ZDUSSCGKSA-N 1 3 242.382 2.400 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000895384269 583662863 /nfs/dbraw/zinc/66/28/63/583662863.db2.gz VIBHAVKVSDCIHX-ZDUSSCGKSA-N 1 3 242.382 2.400 20 0 BEADHO C[C@H](CC[NH2+]C1C[C@H]2CCC[C@@H]2C1)N(C)C ZINC000895429605 583669298 /nfs/dbraw/zinc/66/92/98/583669298.db2.gz QQIMNQLKWYURFH-JHJVBQTASA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCN1CCC([NH2+]C2CSC2)CC1 ZINC000895435306 583673021 /nfs/dbraw/zinc/67/30/21/583673021.db2.gz YKFCAAQTEVWODZ-UHFFFAOYSA-N 1 3 242.432 2.202 20 0 BEADHO CC(C)(C)N1CCC([NH2+]CC2CSC2)CC1 ZINC000895421700 583673118 /nfs/dbraw/zinc/67/31/18/583673118.db2.gz UOEVTLOHWVUHKU-UHFFFAOYSA-N 1 3 242.432 2.202 20 0 BEADHO CC(=O)CCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000728926218 583937260 /nfs/dbraw/zinc/93/72/60/583937260.db2.gz GNHJGZKGMUUTTL-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CC(=O)CCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728926218 583937261 /nfs/dbraw/zinc/93/72/61/583937261.db2.gz GNHJGZKGMUUTTL-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CCc1ccc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)o1 ZINC000873254769 584128269 /nfs/dbraw/zinc/12/82/69/584128269.db2.gz ADLCRZGNMRKGGS-DCAQKATOSA-N 1 3 222.332 2.230 20 0 BEADHO CCN1CC[C@H]([NH2+]C/C=C\Cl)[C@H](C)C1 ZINC000898431935 584135022 /nfs/dbraw/zinc/13/50/22/584135022.db2.gz DHNLCGQRQTUBLP-FPNIURKZSA-N 1 3 216.756 2.059 20 0 BEADHO CCC1([NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000902386491 584578954 /nfs/dbraw/zinc/57/89/54/584578954.db2.gz FGEBPNYWQJLASO-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CC/C=C\CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387428 584579145 /nfs/dbraw/zinc/57/91/45/584579145.db2.gz KSKOEYCUFALQLT-FOQNGQEVSA-N 1 3 210.365 2.320 20 0 BEADHO CC1(C)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391054 584581771 /nfs/dbraw/zinc/58/17/71/584581771.db2.gz SBWKCIFLOWNQAB-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)C[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902391054 584581772 /nfs/dbraw/zinc/58/17/72/584581772.db2.gz SBWKCIFLOWNQAB-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(F)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902394681 584582688 /nfs/dbraw/zinc/58/26/88/584582688.db2.gz ADOKWRBCKPJJEA-NSHDSACASA-N 1 3 230.371 2.492 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000902391880 584582989 /nfs/dbraw/zinc/58/29/89/584582989.db2.gz CAAJFAQOSPNUEG-YVECIDJPSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902392793 584584143 /nfs/dbraw/zinc/58/41/43/584584143.db2.gz MSSGKAFYFBDVFG-QJPTWQEYSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1SCC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392793 584584145 /nfs/dbraw/zinc/58/41/45/584584145.db2.gz MSSGKAFYFBDVFG-QJPTWQEYSA-N 1 3 242.432 2.248 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000902395826 584585286 /nfs/dbraw/zinc/58/52/86/584585286.db2.gz FSXHTSHOLARDOA-WXRRBKDZSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902443973 584598211 /nfs/dbraw/zinc/59/82/11/584598211.db2.gz MRBBCGGXUQAUJK-QJPTWQEYSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902474185 584601738 /nfs/dbraw/zinc/60/17/38/584601738.db2.gz DDDNIQGDZHASSN-DRPJVOAASA-N 1 3 244.382 2.409 20 0 BEADHO C1CC1[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473826 584601900 /nfs/dbraw/zinc/60/19/00/584601900.db2.gz AERUVHRGIZAXCH-ARILJUKYSA-N 1 3 234.387 2.438 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000902447226 584604068 /nfs/dbraw/zinc/60/40/68/584604068.db2.gz XIUMIYQMGDXVHV-UPJWGTAASA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000902447224 584604168 /nfs/dbraw/zinc/60/41/68/584604168.db2.gz XIUMIYQMGDXVHV-AGIUHOORSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]([NH2+][C@H]1CNCC1(C)C)C1CC1 ZINC000902450511 584606765 /nfs/dbraw/zinc/60/67/65/584606765.db2.gz SSWIOJVZMAXVNK-NWDGAFQWSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@@H]1C[C@@H]1C ZINC000902446945 584604386 /nfs/dbraw/zinc/60/43/86/584604386.db2.gz WJVNPJHHXNWRQE-WHOHXGKFSA-N 1 3 210.365 2.009 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000902447227 584604528 /nfs/dbraw/zinc/60/45/28/584604528.db2.gz XIUMIYQMGDXVHV-XQQFMLRXSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCSC(C)(C)C1 ZINC000902452951 584608303 /nfs/dbraw/zinc/60/83/03/584608303.db2.gz NQJDZLPBYVBYJI-TUAOUCFPSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC=CCCC1)C1CNC1 ZINC000902454813 584609394 /nfs/dbraw/zinc/60/93/94/584609394.db2.gz IKKBDDIHQOGTPM-STQMWFEESA-N 1 3 222.376 2.320 20 0 BEADHO C[C@@H](N[C@H]1CCCC2(CC2)C1)[C@H]1CCC[NH2+]1 ZINC000902455217 584609418 /nfs/dbraw/zinc/60/94/18/584609418.db2.gz WWEKUBFVAFTXGF-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1CCCN1 ZINC000902455217 584609419 /nfs/dbraw/zinc/60/94/19/584609419.db2.gz WWEKUBFVAFTXGF-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)O1 ZINC000902460247 584610951 /nfs/dbraw/zinc/61/09/51/584610951.db2.gz FUSBBYNDOWPVAC-UPJWGTAASA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902465251 584612752 /nfs/dbraw/zinc/61/27/52/584612752.db2.gz DOLCYTSXFBFOEZ-ZMJPVWNMSA-N 1 3 234.343 2.083 20 0 BEADHO C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902466102 584613701 /nfs/dbraw/zinc/61/37/01/584613701.db2.gz IUZAXWYQPIOEEN-LOWDOPEQSA-N 1 3 220.360 2.192 20 0 BEADHO C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902465737 584613786 /nfs/dbraw/zinc/61/37/86/584613786.db2.gz IUZAXWYQPIOEEN-YVECIDJPSA-N 1 3 220.360 2.192 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902465980 584614310 /nfs/dbraw/zinc/61/43/10/584614310.db2.gz HZGHXAONNDTSGR-BSLXNSKLSA-N 1 3 248.345 2.239 20 0 BEADHO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCCC1 ZINC000902468806 584615655 /nfs/dbraw/zinc/61/56/55/584615655.db2.gz VWLLOAITOWCRTP-YIYPIFLZSA-N 1 3 222.376 2.438 20 0 BEADHO CCC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCC1 ZINC000902469356 584615886 /nfs/dbraw/zinc/61/58/86/584615886.db2.gz PKBYRSZUNPZSRB-IGQOVBAYSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@H]1CCC[C@H](C)C1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470732 584616463 /nfs/dbraw/zinc/61/64/63/584616463.db2.gz GFSBCSXKHDJQJH-JZRPKSSGSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@@H](NC[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000902482428 584623895 /nfs/dbraw/zinc/62/38/95/584623895.db2.gz LDWMDRWWCLFHEE-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902485314 584624721 /nfs/dbraw/zinc/62/47/21/584624721.db2.gz ZPMAELGMXOIGLJ-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO C([NH2+][C@H]1CCCSC1)[C@@H]1CCCCCN1 ZINC000902485283 584624921 /nfs/dbraw/zinc/62/49/21/584624921.db2.gz ZEHYHNRAOHIGHT-RYUDHWBXSA-N 1 3 228.405 2.004 20 0 BEADHO CCc1cccnc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902488445 584626631 /nfs/dbraw/zinc/62/66/31/584626631.db2.gz YJMJWOQJCSOVQF-GVXVVHGQSA-N 1 3 233.359 2.032 20 0 BEADHO COc1ccc(C)cc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489889 584627255 /nfs/dbraw/zinc/62/72/55/584627255.db2.gz SDTGCGWLXYMMFM-JHJVBQTASA-N 1 3 248.370 2.392 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000902488797 584627410 /nfs/dbraw/zinc/62/74/10/584627410.db2.gz NWTWMRBTYMKEMW-FXPVBKGRSA-N 1 3 240.297 2.353 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2ccncc2)C2CC2)C1 ZINC000902513928 584629556 /nfs/dbraw/zinc/62/95/56/584629556.db2.gz IZDMQKKIRLXMGB-RBSFLKMASA-N 1 3 245.370 2.392 20 0 BEADHO Cc1ncccc1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000902514646 584629602 /nfs/dbraw/zinc/62/96/02/584629602.db2.gz TWCHXZDUFPHWJB-CABCVRRESA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H]1C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903079326 584724591 /nfs/dbraw/zinc/72/45/91/584724591.db2.gz LXSOTDNWKYVAEN-RLIJAYAKSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@H]1C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079326 584724592 /nfs/dbraw/zinc/72/45/92/584724592.db2.gz LXSOTDNWKYVAEN-RLIJAYAKSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903079326 584724593 /nfs/dbraw/zinc/72/45/93/584724593.db2.gz LXSOTDNWKYVAEN-RLIJAYAKSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CCc2ccccc21 ZINC000903430296 584761619 /nfs/dbraw/zinc/76/16/19/584761619.db2.gz RRGARJJSVGANNF-IVMMDQJWSA-N 1 3 244.382 2.461 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CCc2ccccc21 ZINC000903430295 584761854 /nfs/dbraw/zinc/76/18/54/584761854.db2.gz RRGARJJSVGANNF-INWMFGNUSA-N 1 3 244.382 2.461 20 0 BEADHO NC1(C[NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC000903447089 584770652 /nfs/dbraw/zinc/77/06/52/584770652.db2.gz DBTWWKRWHUIEQU-UHFFFAOYSA-N 1 3 229.327 2.139 20 0 BEADHO C[C@]1(C[NH3+])CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903451572 584771859 /nfs/dbraw/zinc/77/18/59/584771859.db2.gz BJQYPTASIXUFSY-OAHLLOKOSA-N 1 3 243.354 2.339 20 0 BEADHO C[C@]1(CN)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903451572 584771860 /nfs/dbraw/zinc/77/18/60/584771860.db2.gz BJQYPTASIXUFSY-OAHLLOKOSA-N 1 3 243.354 2.339 20 0 BEADHO C[C@]1(CN)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903451572 584771861 /nfs/dbraw/zinc/77/18/61/584771861.db2.gz BJQYPTASIXUFSY-OAHLLOKOSA-N 1 3 243.354 2.339 20 0 BEADHO CC(C)=CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470376 584774863 /nfs/dbraw/zinc/77/48/63/584774863.db2.gz AKHWBPDOWXSKON-GFCCVEGCSA-N 1 3 208.349 2.217 20 0 BEADHO C(CC1CCCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471215 584775247 /nfs/dbraw/zinc/77/52/47/584775247.db2.gz RXPCSTDKAUCDCV-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO FCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903471263 584775517 /nfs/dbraw/zinc/77/55/17/584775517.db2.gz HKJKAGKAZYFXTL-NSHDSACASA-N 1 3 214.328 2.000 20 0 BEADHO C(CC1CCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903472903 584775906 /nfs/dbraw/zinc/77/59/06/584775906.db2.gz WPZBGJIHPIWJIV-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CC1(C)CC(C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903472758 584776153 /nfs/dbraw/zinc/77/61/53/584776153.db2.gz WBLSTHHABZJBRV-LBPRGKRZSA-N 1 3 222.376 2.297 20 0 BEADHO CC1CC(CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000903717724 584792229 /nfs/dbraw/zinc/79/22/29/584792229.db2.gz UISGKUURUKWIBW-UHFFFAOYSA-N 1 3 236.403 2.497 20 0 BEADHO CC1CC(C[N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000903748070 584794600 /nfs/dbraw/zinc/79/46/00/584794600.db2.gz YIJBGCOXBFTFII-JXQTWKCFSA-N 1 3 222.376 2.108 20 0 BEADHO CC1CC(C[N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000903748070 584794601 /nfs/dbraw/zinc/79/46/01/584794601.db2.gz YIJBGCOXBFTFII-JXQTWKCFSA-N 1 3 222.376 2.108 20 0 BEADHO CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000903748072 584795005 /nfs/dbraw/zinc/79/50/05/584795005.db2.gz YIJBGCOXBFTFII-RUXDESIVSA-N 1 3 222.376 2.108 20 0 BEADHO CC1CC(C[N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000903748072 584795006 /nfs/dbraw/zinc/79/50/06/584795006.db2.gz YIJBGCOXBFTFII-RUXDESIVSA-N 1 3 222.376 2.108 20 0 BEADHO C([C@H]1CCCC[NH2+]C1)N(C1CC1)C1CC1 ZINC000903769404 584797991 /nfs/dbraw/zinc/79/79/91/584797991.db2.gz FNHYALTUEKWCED-NSHDSACASA-N 1 3 208.349 2.003 20 0 BEADHO C[C@@H]1CSCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903831606 584805990 /nfs/dbraw/zinc/80/59/90/584805990.db2.gz KXEYVSFJAQSKQP-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO FCCC1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[NH2+]C1 ZINC000903831895 584806180 /nfs/dbraw/zinc/80/61/80/584806180.db2.gz MZTBQIPTSQFLHD-CPIKKWJDSA-N 1 3 240.366 2.199 20 0 BEADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CCc1ccccc1 ZINC000903859040 584811255 /nfs/dbraw/zinc/81/12/55/584811255.db2.gz ZAUBUBLPLPLYJI-CABCVRRESA-N 1 3 230.355 2.042 20 0 BEADHO NC[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863359 584813152 /nfs/dbraw/zinc/81/31/52/584813152.db2.gz KVUKDCMRQONQJI-CABCVRRESA-N 1 3 248.345 2.469 20 0 BEADHO NC[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863359 584813154 /nfs/dbraw/zinc/81/31/54/584813154.db2.gz KVUKDCMRQONQJI-CABCVRRESA-N 1 3 248.345 2.469 20 0 BEADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@H]2CCCC[C@@H]12 ZINC000903903515 584821036 /nfs/dbraw/zinc/82/10/36/584821036.db2.gz UXFQUUBPMLZLGQ-WYUUTHIRSA-N 1 3 246.345 2.479 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H](N)CC(F)F)CC12CCC2 ZINC000903913464 584822698 /nfs/dbraw/zinc/82/26/98/584822698.db2.gz CNUYCZTYIIHYBS-GHMZBOCLSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H](N)CC(F)F)CC12CCC2 ZINC000903913464 584822700 /nfs/dbraw/zinc/82/27/00/584822700.db2.gz CNUYCZTYIIHYBS-GHMZBOCLSA-N 1 3 246.345 2.481 20 0 BEADHO Cc1ccccc1CCNC[C@@H]([NH3+])CC(F)F ZINC000903921564 584823014 /nfs/dbraw/zinc/82/30/14/584823014.db2.gz PEWISPBNCRPYOX-LBPRGKRZSA-N 1 3 242.313 2.110 20 0 BEADHO C[C@@H](Cc1cccs1)NC[C@@H]([NH3+])CC(F)F ZINC000903923258 584823908 /nfs/dbraw/zinc/82/39/08/584823908.db2.gz OZMFWTRPCSLLCO-IUCAKERBSA-N 1 3 248.342 2.251 20 0 BEADHO C[C@H](Cc1ccccc1F)NCCC(C)(C)[NH3+] ZINC000903939831 584828981 /nfs/dbraw/zinc/82/89/81/584828981.db2.gz OAQYEZRYPVEIEZ-LLVKDONJSA-N 1 3 238.350 2.474 20 0 BEADHO CC(C)C[C@H](C)C[NH2+]CCC(C)(C)N ZINC000903939598 584828994 /nfs/dbraw/zinc/82/89/94/584828994.db2.gz JVUOQZXIGPIGDE-NSHDSACASA-N 1 3 200.370 2.386 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000903964884 584834520 /nfs/dbraw/zinc/83/45/20/584834520.db2.gz XSQXRMDQZGUIFT-FDYHWXHSSA-N 1 3 210.365 2.010 20 0 BEADHO CCCCN(CCOC)C[C@]1(C)CCC[NH2+]C1 ZINC000904321530 584864272 /nfs/dbraw/zinc/86/42/72/584864272.db2.gz ZNWXRYJKAYFZGQ-CQSZACIVSA-N 1 3 242.407 2.125 20 0 BEADHO CCCC[N@H+](CCOC)C[C@]1(C)CCCNC1 ZINC000904321530 584864274 /nfs/dbraw/zinc/86/42/74/584864274.db2.gz ZNWXRYJKAYFZGQ-CQSZACIVSA-N 1 3 242.407 2.125 20 0 BEADHO CCCC[N@@H+](CCOC)C[C@]1(C)CCCNC1 ZINC000904321530 584864275 /nfs/dbraw/zinc/86/42/75/584864275.db2.gz ZNWXRYJKAYFZGQ-CQSZACIVSA-N 1 3 242.407 2.125 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CN[C@@H](CO)C(C)(C)C ZINC000904341508 584867277 /nfs/dbraw/zinc/86/72/77/584867277.db2.gz SXNBBEUECUTLEF-NEPJUHHUSA-N 1 3 244.423 2.137 20 0 BEADHO [NH3+]CC1CC(NCc2ccccc2Cl)C1 ZINC000904361869 584872033 /nfs/dbraw/zinc/87/20/33/584872033.db2.gz AHOMOERGVJOGAC-UHFFFAOYSA-N 1 3 224.735 2.167 20 0 BEADHO C[C@@H](NC1CC(C[NH3+])C1)c1c(F)cccc1F ZINC000904389350 584875585 /nfs/dbraw/zinc/87/55/85/584875585.db2.gz KTLLVBYUUDOKBB-XNWIYYODSA-N 1 3 240.297 2.353 20 0 BEADHO C[N@H+](C[C@H]1CC1(C)C)C[C@]1(C)CCCNC1 ZINC000904378498 584876177 /nfs/dbraw/zinc/87/61/77/584876177.db2.gz DVBXQPRSLZWICC-TZMCWYRMSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@]1(C)CCCNC1 ZINC000904378498 584876178 /nfs/dbraw/zinc/87/61/78/584876178.db2.gz DVBXQPRSLZWICC-TZMCWYRMSA-N 1 3 224.392 2.354 20 0 BEADHO CN(C[C@H]1CC1(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904378498 584876180 /nfs/dbraw/zinc/87/61/80/584876180.db2.gz DVBXQPRSLZWICC-TZMCWYRMSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@]1(CN2CCC(CCF)CC2)CCC[NH2+]C1 ZINC000904383935 584877098 /nfs/dbraw/zinc/87/70/98/584877098.db2.gz DINUGNJMJQRYNK-CQSZACIVSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@@]1(C[NH+]2CCC(CCF)CC2)CCCNC1 ZINC000904383935 584877099 /nfs/dbraw/zinc/87/70/99/584877099.db2.gz DINUGNJMJQRYNK-CQSZACIVSA-N 1 3 242.382 2.448 20 0 BEADHO Cc1ccsc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420830 584882400 /nfs/dbraw/zinc/88/24/00/584882400.db2.gz HRSUAEGVFIDGKS-NWDGAFQWSA-N 1 3 236.384 2.098 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420830 584882401 /nfs/dbraw/zinc/88/24/01/584882401.db2.gz HRSUAEGVFIDGKS-NWDGAFQWSA-N 1 3 236.384 2.098 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420830 584882402 /nfs/dbraw/zinc/88/24/02/584882402.db2.gz HRSUAEGVFIDGKS-NWDGAFQWSA-N 1 3 236.384 2.098 20 0 BEADHO C[C@H]1C[C@@H](NCCNc2ccccc2)CC[N@@H+]1C ZINC000766514474 584942161 /nfs/dbraw/zinc/94/21/61/584942161.db2.gz GSTYXIIECQKTHW-ZFWWWQNUSA-N 1 3 247.386 2.171 20 0 BEADHO C[C@H]1C[C@@H](NCCNc2ccccc2)CC[N@H+]1C ZINC000766514474 584942162 /nfs/dbraw/zinc/94/21/62/584942162.db2.gz GSTYXIIECQKTHW-ZFWWWQNUSA-N 1 3 247.386 2.171 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@H](C)CSC(C)(C)C ZINC000817957273 584991484 /nfs/dbraw/zinc/99/14/84/584991484.db2.gz ADIFIQUWOHHLIM-MNOVXSKESA-N 1 3 232.437 2.480 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817957274 584991666 /nfs/dbraw/zinc/99/16/66/584991666.db2.gz ADIFIQUWOHHLIM-QWRGUYRKSA-N 1 3 232.437 2.480 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)[C@@H](C)N ZINC000817977264 584992993 /nfs/dbraw/zinc/99/29/93/584992993.db2.gz FUSFKGFBVBUEKQ-GYSYKLTISA-N 1 3 218.344 2.308 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)[C@H](C)N ZINC000817977267 584993340 /nfs/dbraw/zinc/99/33/40/584993340.db2.gz FUSFKGFBVBUEKQ-WDMOLILDSA-N 1 3 218.344 2.308 20 0 BEADHO C[C@@H](C[NH2+]C1CC(C(F)F)C1)CN1CCCC1 ZINC000768676980 585541604 /nfs/dbraw/zinc/54/16/04/585541604.db2.gz GECUWJCGCQVHOK-UNXYVOJBSA-N 1 3 246.345 2.352 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782184314 585810746 /nfs/dbraw/zinc/81/07/46/585810746.db2.gz CMYOUDDLXHQEMN-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782184314 585810747 /nfs/dbraw/zinc/81/07/47/585810747.db2.gz CMYOUDDLXHQEMN-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN([C@H](C)C2CC2)C1 ZINC000782184314 585810748 /nfs/dbraw/zinc/81/07/48/585810748.db2.gz CMYOUDDLXHQEMN-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782184315 585810853 /nfs/dbraw/zinc/81/08/53/585810853.db2.gz CMYOUDDLXHQEMN-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782184315 585810854 /nfs/dbraw/zinc/81/08/54/585810854.db2.gz CMYOUDDLXHQEMN-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN([C@@H](C)C2CC2)C1 ZINC000782184315 585810855 /nfs/dbraw/zinc/81/08/55/585810855.db2.gz CMYOUDDLXHQEMN-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000788487235 585925691 /nfs/dbraw/zinc/92/56/91/585925691.db2.gz FKULEZBWKNMJKI-HNNXBMFYSA-N 1 3 247.386 2.493 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000788487235 585925692 /nfs/dbraw/zinc/92/56/92/585925692.db2.gz FKULEZBWKNMJKI-HNNXBMFYSA-N 1 3 247.386 2.493 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000817900504 586835850 /nfs/dbraw/zinc/83/58/50/586835850.db2.gz PHDXFVDZAIFMOO-XQHKEYJVSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc2c(c1)CCO2 ZINC000817898890 586836291 /nfs/dbraw/zinc/83/62/91/586836291.db2.gz CECVIBNMIOEGFP-LLVKDONJSA-N 1 3 246.354 2.024 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCSC(C)(C)C ZINC000817908949 586836776 /nfs/dbraw/zinc/83/67/76/586836776.db2.gz UKDGHBXVADHSHN-UWVGGRQHSA-N 1 3 218.410 2.234 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCSC(C)(C)C ZINC000817907646 586837015 /nfs/dbraw/zinc/83/70/15/586837015.db2.gz GZZKDTQVEUNYOX-NEPJUHHUSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000817907646 586837016 /nfs/dbraw/zinc/83/70/16/586837016.db2.gz GZZKDTQVEUNYOX-NEPJUHHUSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCSC(C)(C)C ZINC000817908951 586837405 /nfs/dbraw/zinc/83/74/05/586837405.db2.gz UKDGHBXVADHSHN-VHSXEESVSA-N 1 3 218.410 2.234 20 0 BEADHO Cc1cc(F)ccc1[C@@H](C)NCCC[NH3+] ZINC000817938322 586843890 /nfs/dbraw/zinc/84/38/90/586843890.db2.gz JAEKKSLCROMUNR-SNVBAGLBSA-N 1 3 210.296 2.134 20 0 BEADHO C[NH2+]CCCN[C@@H](C)CSC(C)(C)C ZINC000817939885 586845011 /nfs/dbraw/zinc/84/50/11/586845011.db2.gz HUQXFDNUMTYAOV-JTQLQIEISA-N 1 3 218.410 2.106 20 0 BEADHO CNCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000817939885 586845013 /nfs/dbraw/zinc/84/50/13/586845013.db2.gz HUQXFDNUMTYAOV-JTQLQIEISA-N 1 3 218.410 2.106 20 0 BEADHO C[C@H](CSC(C)(C)C)NCC1([NH3+])CCC1 ZINC000817964801 586853957 /nfs/dbraw/zinc/85/39/57/586853957.db2.gz JKUVXPOVOGYPBT-SNVBAGLBSA-N 1 3 230.421 2.378 20 0 BEADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000817965467 586854147 /nfs/dbraw/zinc/85/41/47/586854147.db2.gz QZLWXVHDBSOOSD-ABAIWWIYSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc2c(c1)CCO2 ZINC000817964737 586854220 /nfs/dbraw/zinc/85/42/20/586854220.db2.gz GOFXKQKMMCDLGY-IINYFYTJSA-N 1 3 246.354 2.009 20 0 BEADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000817972163 586859836 /nfs/dbraw/zinc/85/98/36/586859836.db2.gz UQKZXDFZBOSAMF-GHMZBOCLSA-N 1 3 222.332 2.083 20 0 BEADHO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](C)N ZINC000817973511 586860408 /nfs/dbraw/zinc/86/04/08/586860408.db2.gz UQMXLJZBDOZWAO-VHSXEESVSA-N 1 3 210.296 2.132 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000817977469 586861560 /nfs/dbraw/zinc/86/15/60/586861560.db2.gz KTRWHKKLJSNFTQ-SRVKXCTJSA-N 1 3 236.359 2.472 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817979152 586861687 /nfs/dbraw/zinc/86/16/87/586861687.db2.gz IGVPBYZZNVKORJ-GWCFXTLKSA-N 1 3 234.343 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817979515 586862026 /nfs/dbraw/zinc/86/20/26/586862026.db2.gz LEMBSUQVMVWGGO-GXTWGEPZSA-N 1 3 218.344 2.309 20 0 BEADHO COc1c(C)cc(CN[C@@H](C)CC[NH3+])cc1C ZINC000841051316 587939684 /nfs/dbraw/zinc/93/96/84/587939684.db2.gz NNHBFEPAYQETSQ-LBPRGKRZSA-N 1 3 236.359 2.139 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000841071152 587943198 /nfs/dbraw/zinc/94/31/98/587943198.db2.gz ZBEFMYJYKUDVFX-CYBMUJFWSA-N 1 3 236.359 2.139 20 0 BEADHO CC[C@H]1C[C@H](CN2CCC(C)([NH3+])CC2)CCO1 ZINC000843108459 588081962 /nfs/dbraw/zinc/08/19/62/588081962.db2.gz SVVYMMRASSMVMI-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000843359722 588104282 /nfs/dbraw/zinc/10/42/82/588104282.db2.gz WXGMGFMJXDHKDY-AWEZNQCLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000844923583 588218940 /nfs/dbraw/zinc/21/89/40/588218940.db2.gz LMZAYSWTKXHATN-UKKRHICBSA-N 1 3 236.762 2.407 20 0 BEADHO C[C@H]1CC2(CN1C/C=C\Cl)CC[NH2+]CC2 ZINC000846224462 588261540 /nfs/dbraw/zinc/26/15/40/588261540.db2.gz XSVZKOZBQZQQDA-SROOVFNMSA-N 1 3 228.767 2.203 20 0 BEADHO CCC(C)(C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000863483086 589292612 /nfs/dbraw/zinc/29/26/12/589292612.db2.gz QSGLGPBWLLKRGQ-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]1CC[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546714 589296055 /nfs/dbraw/zinc/29/60/55/589296055.db2.gz MZVLZKLQHUQNNS-YVECIDJPSA-N 1 3 210.365 2.151 20 0 BEADHO [NH3+]CCCCCCN1CCc2c(O)cccc2C1 ZINC000863557720 589298973 /nfs/dbraw/zinc/29/89/73/589298973.db2.gz PQLDAIZTFMUFLA-UHFFFAOYSA-N 1 3 248.370 2.269 20 0 BEADHO CS[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000865733260 589459041 /nfs/dbraw/zinc/45/90/41/589459041.db2.gz GSQRQQHTWZHUQP-FDYHWXHSSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865733260 589459042 /nfs/dbraw/zinc/45/90/42/589459042.db2.gz GSQRQQHTWZHUQP-FDYHWXHSSA-N 1 3 240.416 2.097 20 0 BEADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCCF)C1 ZINC000866709704 589514509 /nfs/dbraw/zinc/51/45/09/589514509.db2.gz ZBNGTQHCPVPSNY-LBPRGKRZSA-N 1 3 216.344 2.043 20 0 BEADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCCF)C1 ZINC000866709704 589514507 /nfs/dbraw/zinc/51/45/07/589514507.db2.gz ZBNGTQHCPVPSNY-LBPRGKRZSA-N 1 3 216.344 2.043 20 0 BEADHO CN(CCN(C)C1CC1)c1cc[nH+]cc1C1CC1 ZINC000872513707 589945948 /nfs/dbraw/zinc/94/59/48/589945948.db2.gz YWICMIXOHIDNTE-UHFFFAOYSA-N 1 3 245.370 2.489 20 0 BEADHO C([NH2+][C@@]12CCC[C@@H]1NCC2)C1CCCCC1 ZINC000873229646 589998985 /nfs/dbraw/zinc/99/89/85/589998985.db2.gz DGGWYXYZDJWCDC-UONOGXRCSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)(C)CC[NH2+][C@]12CCC[C@@H]1NCC2 ZINC000873232334 590003344 /nfs/dbraw/zinc/00/33/44/590003344.db2.gz WSSALVBCKZKCFE-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO COCCC[C@@H](C)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236919 590004439 /nfs/dbraw/zinc/00/44/39/590004439.db2.gz KTKJSOPWXMYLEB-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873238971 590005629 /nfs/dbraw/zinc/00/56/29/590005629.db2.gz KQSVPWGASAJAKJ-ZDEQEGDKSA-N 1 3 228.355 2.374 20 0 BEADHO CCc1ccc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000873253534 590009675 /nfs/dbraw/zinc/00/96/75/590009675.db2.gz ADLCRZGNMRKGGS-GARJFASQSA-N 1 3 222.332 2.230 20 0 BEADHO Cc1cc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)oc1C ZINC000873256111 590010770 /nfs/dbraw/zinc/01/07/70/590010770.db2.gz KJIHFODGPKADQG-YUSALJHKSA-N 1 3 222.332 2.284 20 0 BEADHO COCC(C)(C)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000873279831 590017304 /nfs/dbraw/zinc/01/73/04/590017304.db2.gz MHLSDMDNXYNZIY-STQMWFEESA-N 1 3 242.407 2.027 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@H]1C=CCC1 ZINC000873281672 590019078 /nfs/dbraw/zinc/01/90/78/590019078.db2.gz OLCVDSUGQYOGQC-AVGNSLFASA-N 1 3 210.365 2.448 20 0 BEADHO C[NH+]1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC000878864393 590634315 /nfs/dbraw/zinc/63/43/15/590634315.db2.gz AGIAJJQMNSGTDY-KXFIGUGUSA-N 1 3 228.767 2.157 20 0 BEADHO CC(C)SCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140828 590939703 /nfs/dbraw/zinc/93/97/03/590939703.db2.gz DGDBZRCPQWJYSK-OLZOCXBDSA-N 1 3 242.432 2.297 20 0 BEADHO CC(C)SCCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140828 590939675 /nfs/dbraw/zinc/93/96/75/590939675.db2.gz DGDBZRCPQWJYSK-OLZOCXBDSA-N 1 3 242.432 2.297 20 0 BEADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](CF)C1 ZINC000880295311 590989666 /nfs/dbraw/zinc/98/96/66/590989666.db2.gz JWBVFNTVTPONEU-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](CF)C1 ZINC000880295311 590989669 /nfs/dbraw/zinc/98/96/69/590989669.db2.gz JWBVFNTVTPONEU-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO CCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880472014 591052071 /nfs/dbraw/zinc/05/20/71/591052071.db2.gz CZTNFOKLLQIRJJ-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880476116 591054681 /nfs/dbraw/zinc/05/46/81/591054681.db2.gz NTMHJIDGNQOVOG-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883416015 591652870 /nfs/dbraw/zinc/65/28/70/591652870.db2.gz JWNBXQTZFQLHBA-NWDGAFQWSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@](C[NH3+])(NC[C@H]1CCCC(C)(C)O1)C1CC1 ZINC000883418361 591654018 /nfs/dbraw/zinc/65/40/18/591654018.db2.gz FXHUPZLSVOKWHO-TZMCWYRMSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883424101 591658288 /nfs/dbraw/zinc/65/82/88/591658288.db2.gz GBEXPGHCUCBGQQ-SRVKXCTJSA-N 1 3 246.345 2.481 20 0 BEADHO Cc1ccc(OCC[NH2+][C@@H]2C[C@H](N)C2(C)C)cc1 ZINC000883442071 591669479 /nfs/dbraw/zinc/66/94/79/591669479.db2.gz DKGDNWPDNJEPRN-UONOGXRCSA-N 1 3 248.370 2.089 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCCC(C)(C)O1 ZINC000883441867 591669904 /nfs/dbraw/zinc/66/99/04/591669904.db2.gz ZGHLAZBBZRREMI-UTUOFQBUSA-N 1 3 240.391 2.050 20 0 BEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000883441867 591669909 /nfs/dbraw/zinc/66/99/09/591669909.db2.gz ZGHLAZBBZRREMI-UTUOFQBUSA-N 1 3 240.391 2.050 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCCC(C)(C)O1 ZINC000883441866 591669987 /nfs/dbraw/zinc/66/99/87/591669987.db2.gz ZGHLAZBBZRREMI-IJLUTSLNSA-N 1 3 240.391 2.050 20 0 BEADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000883441866 591669990 /nfs/dbraw/zinc/66/99/90/591669990.db2.gz ZGHLAZBBZRREMI-IJLUTSLNSA-N 1 3 240.391 2.050 20 0 BEADHO CC[NH2+]CC1CCN(C/C=C\Cl)CC1 ZINC000216135858 592011904 /nfs/dbraw/zinc/01/19/04/592011904.db2.gz KHPHWYIDYNEORC-UTCJRWHESA-N 1 3 216.756 2.060 20 0 BEADHO CCC1(N2CCC2)CC[NH+](CC2CC2)CC1 ZINC000886712827 592309415 /nfs/dbraw/zinc/30/94/15/592309415.db2.gz NIGRODWNYGXMBE-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110127 592314415 /nfs/dbraw/zinc/31/44/15/592314415.db2.gz VUPKIEMVCGGHSY-HNNXBMFYSA-N 1 3 232.371 2.460 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110127 592314419 /nfs/dbraw/zinc/31/44/19/592314419.db2.gz VUPKIEMVCGGHSY-HNNXBMFYSA-N 1 3 232.371 2.460 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CCC1CC1 ZINC000887132782 592449623 /nfs/dbraw/zinc/44/96/23/592449623.db2.gz MUZLOJAIBWQRBG-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CCC1CC1 ZINC000887132782 592449626 /nfs/dbraw/zinc/44/96/26/592449626.db2.gz MUZLOJAIBWQRBG-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO COC(C)(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300067105 592502293 /nfs/dbraw/zinc/50/22/93/592502293.db2.gz QTJUNDPTUFDZHM-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO COC(C)(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300067105 592502296 /nfs/dbraw/zinc/50/22/96/592502296.db2.gz QTJUNDPTUFDZHM-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO COC(C)(C)CC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300067105 592502300 /nfs/dbraw/zinc/50/23/00/592502300.db2.gz QTJUNDPTUFDZHM-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000300275499 592505738 /nfs/dbraw/zinc/50/57/38/592505738.db2.gz PDQFXLZQKGGREX-TUKIKUTGSA-N 1 3 248.370 2.128 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000300392905 592509951 /nfs/dbraw/zinc/50/99/51/592509951.db2.gz WBUCLRYCJBAAIB-WHOHXGKFSA-N 1 3 228.405 2.130 20 0 BEADHO CC1(C[NH2+]CCCN2CCCC2)CCC1 ZINC000232862926 634390280 /nfs/dbraw/zinc/39/02/80/634390280.db2.gz BTCHTZBRAFKLLA-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO [NH3+]CC[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000125577597 634565564 /nfs/dbraw/zinc/56/55/64/634565564.db2.gz AJZCAGQMIPGRKK-SNVBAGLBSA-N 1 3 240.297 2.136 20 0 BEADHO C[C@H]1[NH2+]CCC[C@H]1NCC1(CC2CC2)CC1 ZINC000925733407 634578475 /nfs/dbraw/zinc/57/84/75/634578475.db2.gz IOJAWUNQCJVQOR-DGCLKSJQSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](NCCC(C)(C)[NH3+])c1ccc2c(c1)COC2 ZINC000925740355 634601202 /nfs/dbraw/zinc/60/12/02/634601202.db2.gz JOFAXPWZZCSXGQ-NSHDSACASA-N 1 3 248.370 2.495 20 0 BEADHO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925783891 635295131 /nfs/dbraw/zinc/29/51/31/635295131.db2.gz LPLJWZMIXUOPPZ-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000925823011 635406235 /nfs/dbraw/zinc/40/62/35/635406235.db2.gz NNEVJDBMQBXZNT-QTJJRWQNSA-N 1 3 222.376 2.138 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC23CCC3)CCS1 ZINC000925857692 635549790 /nfs/dbraw/zinc/54/97/90/635549790.db2.gz HWDBZXXVPOCKLH-IJLUTSLNSA-N 1 3 240.416 2.145 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CCS1 ZINC000925860944 635557548 /nfs/dbraw/zinc/55/75/48/635557548.db2.gz MLFDHHIIDPJSML-LPWJVIDDSA-N 1 3 242.432 2.378 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCCCCCCO)c2ccccc21 ZINC000236316533 635598340 /nfs/dbraw/zinc/59/83/40/635598340.db2.gz NGRDHUCKRKXIIA-LSDHHAIUSA-N 1 3 248.370 2.274 20 0 BEADHO C[C@@H](CC[NH+](C)C)NC[C@@H]1CC1(Cl)Cl ZINC000308695399 631521089 /nfs/dbraw/zinc/52/10/89/631521089.db2.gz STNFAOWEDDQDMB-IUCAKERBSA-N 1 3 239.190 2.110 20 0 BEADHO C[C@@H](C[N@@H+]1CCC[C@H](CN)C1)C(C)(C)C ZINC000308839013 631677246 /nfs/dbraw/zinc/67/72/46/631677246.db2.gz XUZNTULKTWUHMB-NWDGAFQWSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H](C[N@H+]1CCC[C@H](CN)C1)C(C)(C)C ZINC000308839013 631677254 /nfs/dbraw/zinc/67/72/54/631677254.db2.gz XUZNTULKTWUHMB-NWDGAFQWSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H](C[N@@H+]1CCC[C@H](CN)C1)C(C)(C)C ZINC000308839017 631677450 /nfs/dbraw/zinc/67/74/50/631677450.db2.gz XUZNTULKTWUHMB-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)Cc1cccnc1 ZINC000934231603 631739396 /nfs/dbraw/zinc/73/93/96/631739396.db2.gz WBDFGJBSQMEEMZ-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)Cc1cccnc1 ZINC000934231603 631739399 /nfs/dbraw/zinc/73/93/99/631739399.db2.gz WBDFGJBSQMEEMZ-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCc1cccs1 ZINC000049712297 631908370 /nfs/dbraw/zinc/90/83/70/631908370.db2.gz DDKJDMUDZFHXEL-GHMZBOCLSA-N 1 3 224.373 2.102 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227056372 632414464 /nfs/dbraw/zinc/41/44/64/632414464.db2.gz ZMRSGTGXXAFISQ-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1C[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000252971248 632564944 /nfs/dbraw/zinc/56/49/44/632564944.db2.gz XTFLNGUQWDDFDI-MHWZDGSBSA-N 1 3 216.328 2.377 20 0 BEADHO CCC[C@@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755423 632565471 /nfs/dbraw/zinc/56/54/71/632565471.db2.gz LUXODJLMFNOTAY-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755423 632565473 /nfs/dbraw/zinc/56/54/73/632565473.db2.gz LUXODJLMFNOTAY-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[C@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755110 632565605 /nfs/dbraw/zinc/56/56/05/632565605.db2.gz POZKBXFBYCFORJ-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)[C@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755110 632565613 /nfs/dbraw/zinc/56/56/13/632565613.db2.gz POZKBXFBYCFORJ-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCCCCCCO)c2ccccc21 ZINC000236306355 632917142 /nfs/dbraw/zinc/91/71/42/632917142.db2.gz NGRDHUCKRKXIIA-CABCVRRESA-N 1 3 248.370 2.274 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000233087363 636122175 /nfs/dbraw/zinc/12/21/75/636122175.db2.gz KYKNZZRFLVEDDX-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCC1 ZINC000328549087 633772866 /nfs/dbraw/zinc/77/28/66/633772866.db2.gz QSSOWMZTGZBOHQ-VUJLMQJESA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCC1 ZINC000328549082 633774617 /nfs/dbraw/zinc/77/46/17/633774617.db2.gz QSSOWMZTGZBOHQ-BMJAIKTRSA-N 1 3 234.387 2.151 20 0 BEADHO Cc1cc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925680746 634278847 /nfs/dbraw/zinc/27/88/47/634278847.db2.gz TVQFBMOWCWZVIA-UONOGXRCSA-N 1 3 247.386 2.386 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000925782572 635278935 /nfs/dbraw/zinc/27/89/35/635278935.db2.gz LFUJWJYVAUJIEK-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO CCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925783894 635297609 /nfs/dbraw/zinc/29/76/09/635297609.db2.gz LPLJWZMIXUOPPZ-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925790324 635315974 /nfs/dbraw/zinc/31/59/74/635315974.db2.gz GZEZJDSULBHEIV-UNIGVISCSA-N 1 3 244.382 2.365 20 0 BEADHO CC[C@H](NC[C@H](COC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000925874940 635594966 /nfs/dbraw/zinc/59/49/66/635594966.db2.gz XPNMCEPOFMBRRC-RDBSUJKOSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CCc1cccnc1)CN(C)C ZINC000866364810 636880985 /nfs/dbraw/zinc/88/09/85/636880985.db2.gz QBZNNUXKIWUGEW-KBPBESRZSA-N 1 3 249.402 2.190 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000903464819 637362287 /nfs/dbraw/zinc/36/22/87/637362287.db2.gz XYGKRIADMQHBKQ-KKOKHZNYSA-N 1 3 246.345 2.065 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000903464820 637363318 /nfs/dbraw/zinc/36/33/18/637363318.db2.gz XYGKRIADMQHBKQ-RHYQMDGZSA-N 1 3 246.345 2.065 20 0 BEADHO CC[C@@H](C[NH2+]C1CC(N)C1)c1ccccc1 ZINC000906509206 638180821 /nfs/dbraw/zinc/18/08/21/638180821.db2.gz AKNRPROZUPCGMU-XGNXJENSSA-N 1 3 218.344 2.260 20 0 BEADHO CC[C@@H](CNC1CC([NH3+])C1)c1ccccc1 ZINC000906509206 638180827 /nfs/dbraw/zinc/18/08/27/638180827.db2.gz AKNRPROZUPCGMU-XGNXJENSSA-N 1 3 218.344 2.260 20 0 BEADHO C[C@@H](CNC1CC([NH3+])C1)c1ccc(F)cc1 ZINC000906510561 638183419 /nfs/dbraw/zinc/18/34/19/638183419.db2.gz LSTSCBWGSXOMJP-ALXWSUNGSA-N 1 3 222.307 2.009 20 0 BEADHO C[C@@H](C[NH2+]C1CC(N)C1)c1ccc(F)cc1 ZINC000906510561 638183427 /nfs/dbraw/zinc/18/34/27/638183427.db2.gz LSTSCBWGSXOMJP-ALXWSUNGSA-N 1 3 222.307 2.009 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H](N)C2)C1 ZINC000906517739 638188241 /nfs/dbraw/zinc/18/82/41/638188241.db2.gz OKGWCNLKCSITTF-FDYHWXHSSA-N 1 3 210.365 2.282 20 0 BEADHO CCCC[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000906530041 638190321 /nfs/dbraw/zinc/19/03/21/638190321.db2.gz WHCYDAAHMIRTGD-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000931764332 640357919 /nfs/dbraw/zinc/35/79/19/640357919.db2.gz PTIKMRHNJDXJOM-CHWSQXEVSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000931764332 640357922 /nfs/dbraw/zinc/35/79/22/640357922.db2.gz PTIKMRHNJDXJOM-CHWSQXEVSA-N 1 3 245.370 2.391 20 0 BEADHO [NH3+]C[C@@H]1CCN(CCSc2ccccc2)C1 ZINC000050249346 711493648 /nfs/dbraw/zinc/49/36/48/711493648.db2.gz UKEZDFJHILYANW-LBPRGKRZSA-N 1 3 236.384 2.059 20 0 BEADHO CC(C)[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228738435 640892918 /nfs/dbraw/zinc/89/29/18/640892918.db2.gz UHPWXOGUEXGRPN-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228738435 640892921 /nfs/dbraw/zinc/89/29/21/640892921.db2.gz UHPWXOGUEXGRPN-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CC1(C)CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000062868016 641103872 /nfs/dbraw/zinc/10/38/72/641103872.db2.gz HJSONDIXWQOZLQ-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000173913420 641216508 /nfs/dbraw/zinc/21/65/08/641216508.db2.gz QYJWEFUKYRNNLM-GFCCVEGCSA-N 1 3 228.456 2.137 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000173913420 641216514 /nfs/dbraw/zinc/21/65/14/641216514.db2.gz QYJWEFUKYRNNLM-GFCCVEGCSA-N 1 3 228.456 2.137 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccc(O)c1 ZINC000089149718 641477240 /nfs/dbraw/zinc/47/72/40/641477240.db2.gz REHLVQKFVNCCTM-SUHUHFCYSA-N 1 3 234.343 2.170 20 0 BEADHO CCOC[C@@H]1CCCC[N@@H+]1C[C@@H](N)CC(C)C ZINC000313209142 642392466 /nfs/dbraw/zinc/39/24/66/642392466.db2.gz GRCNVRYAYXFQGG-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CCOC[C@@H]1CCCC[N@H+]1C[C@@H](N)CC(C)C ZINC000313209142 642392474 /nfs/dbraw/zinc/39/24/74/642392474.db2.gz GRCNVRYAYXFQGG-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@H]1CN ZINC000253237395 642633346 /nfs/dbraw/zinc/63/33/46/642633346.db2.gz OWAHAIVCQBLUKP-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1CN ZINC000253237395 642633347 /nfs/dbraw/zinc/63/33/47/642633347.db2.gz OWAHAIVCQBLUKP-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO CCC1(C[NH2+]C2CCNCC2)CCCC1 ZINC000232993405 642641858 /nfs/dbraw/zinc/64/18/58/642641858.db2.gz OSMFYHYOYDHXCQ-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO CCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000233096319 642648368 /nfs/dbraw/zinc/64/83/68/642648368.db2.gz KYKNZZRFLVEDDX-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000070585204 643043519 /nfs/dbraw/zinc/04/35/19/643043519.db2.gz JOKNLJCUMRLHPG-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000070585204 643043522 /nfs/dbraw/zinc/04/35/22/643043522.db2.gz JOKNLJCUMRLHPG-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602687 643354064 /nfs/dbraw/zinc/35/40/64/643354064.db2.gz CSAOBKPONLOJBB-YPMHNXCESA-N 1 3 238.400 2.492 20 0 BEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602687 643354072 /nfs/dbraw/zinc/35/40/72/643354072.db2.gz CSAOBKPONLOJBB-YPMHNXCESA-N 1 3 238.400 2.492 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000234150872 643533189 /nfs/dbraw/zinc/53/31/89/643533189.db2.gz GSTXXYZVEPBRLU-FZMZJTMJSA-N 1 3 218.344 2.028 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000234150872 643533197 /nfs/dbraw/zinc/53/31/97/643533197.db2.gz GSTXXYZVEPBRLU-FZMZJTMJSA-N 1 3 218.344 2.028 20 0 BEADHO CC1([NH3+])CCN(CCc2cccs2)CC1 ZINC000071531844 643548616 /nfs/dbraw/zinc/54/86/16/643548616.db2.gz NEGNGGJKWXSMBS-UHFFFAOYSA-N 1 3 224.373 2.104 20 0 BEADHO CC(C)C[C@@H]1CC[N@H+](CCCNC2CC2)C1 ZINC000307814703 643668848 /nfs/dbraw/zinc/66/88/48/643668848.db2.gz LFTODWSNWCWBTB-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC000307814703 643668854 /nfs/dbraw/zinc/66/88/54/643668854.db2.gz LFTODWSNWCWBTB-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000086727881 644167120 /nfs/dbraw/zinc/16/71/20/644167120.db2.gz SJVXEZYSOZHYDR-IVZWLZJFSA-N 1 3 236.281 2.059 20 0 BEADHO CC(C)=CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000193351295 644235845 /nfs/dbraw/zinc/23/58/45/644235845.db2.gz AYDWFYNABGXWSB-YHWZYXNKSA-N 1 3 208.349 2.167 20 0 BEADHO CC(C)=CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193351295 644235854 /nfs/dbraw/zinc/23/58/54/644235854.db2.gz AYDWFYNABGXWSB-YHWZYXNKSA-N 1 3 208.349 2.167 20 0 BEADHO CC(C)=CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193351295 644235861 /nfs/dbraw/zinc/23/58/61/644235861.db2.gz AYDWFYNABGXWSB-YHWZYXNKSA-N 1 3 208.349 2.167 20 0 BEADHO C[C@@H]1CN(CC2CCC3(CC3)CC2)C[C@H]1[NH3+] ZINC000923365557 644375157 /nfs/dbraw/zinc/37/51/57/644375157.db2.gz FXYOPPCJFRBJHW-DGCLKSJQSA-N 1 3 222.376 2.236 20 0 BEADHO CCCCCC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923367248 644378565 /nfs/dbraw/zinc/37/85/65/644378565.db2.gz DRCGRCFVOQQYEG-OLZOCXBDSA-N 1 3 244.423 2.281 20 0 BEADHO C[C@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1CN ZINC000923412716 644413151 /nfs/dbraw/zinc/41/31/51/644413151.db2.gz TUQLSRRWOHRZEL-JSGCOSHPSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1CN ZINC000923412716 644413154 /nfs/dbraw/zinc/41/31/54/644413154.db2.gz TUQLSRRWOHRZEL-JSGCOSHPSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1CN ZINC000923412718 644414225 /nfs/dbraw/zinc/41/42/25/644414225.db2.gz TUQLSRRWOHRZEL-TZMCWYRMSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1CN ZINC000923412718 644414229 /nfs/dbraw/zinc/41/42/29/644414229.db2.gz TUQLSRRWOHRZEL-TZMCWYRMSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@@H]1CN ZINC000923412717 644414750 /nfs/dbraw/zinc/41/47/50/644414750.db2.gz TUQLSRRWOHRZEL-OCCSQVGLSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@@H]1CN ZINC000923412717 644414757 /nfs/dbraw/zinc/41/47/57/644414757.db2.gz TUQLSRRWOHRZEL-OCCSQVGLSA-N 1 3 236.403 2.483 20 0 BEADHO CCc1ncc(CN(C)CCCCCC[NH3+])o1 ZINC000923426131 644418594 /nfs/dbraw/zinc/41/85/94/644418594.db2.gz NFNCFFHPZDJRRG-UHFFFAOYSA-N 1 3 239.363 2.188 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000084219991 644421463 /nfs/dbraw/zinc/42/14/63/644421463.db2.gz SXANWZHUBKQYQH-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC000084215936 644421557 /nfs/dbraw/zinc/42/15/57/644421557.db2.gz CPAVKGZWKZYTTC-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO CCCCCC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923420262 644425630 /nfs/dbraw/zinc/42/56/30/644425630.db2.gz HFLSFXKHIWXGLI-AVGNSLFASA-N 1 3 242.407 2.033 20 0 BEADHO CCCCCC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923420262 644425635 /nfs/dbraw/zinc/42/56/35/644425635.db2.gz HFLSFXKHIWXGLI-AVGNSLFASA-N 1 3 242.407 2.033 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCNC1)C1CCCCC1 ZINC000086729800 644471681 /nfs/dbraw/zinc/47/16/81/644471681.db2.gz OYFNLPWBFHJAMN-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C ZINC000923516429 644480047 /nfs/dbraw/zinc/48/00/47/644480047.db2.gz DVXVRLHLQJMKKY-JKSUJKDBSA-N 1 3 244.382 2.345 20 0 BEADHO C[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518953 644483071 /nfs/dbraw/zinc/48/30/71/644483071.db2.gz HIWPOJOMFQZTPR-LJISPDSOSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518953 644483073 /nfs/dbraw/zinc/48/30/73/644483073.db2.gz HIWPOJOMFQZTPR-LJISPDSOSA-N 1 3 236.403 2.354 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923520627 644484073 /nfs/dbraw/zinc/48/40/73/644484073.db2.gz GSMFCPABUABPFU-LSDHHAIUSA-N 1 3 230.355 2.036 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923534212 644489301 /nfs/dbraw/zinc/48/93/01/644489301.db2.gz RNVGWFNPDIKXFZ-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923534212 644489302 /nfs/dbraw/zinc/48/93/02/644489302.db2.gz RNVGWFNPDIKXFZ-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO C(C[N@@H+]1CC[C@]2(C1)CCCCN2)C1CCC1 ZINC000923533042 644490342 /nfs/dbraw/zinc/49/03/42/644490342.db2.gz JADHBUKABYKUTD-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO C(C[N@H+]1CC[C@]2(C1)CCCCN2)C1CCC1 ZINC000923533042 644490343 /nfs/dbraw/zinc/49/03/43/644490343.db2.gz JADHBUKABYKUTD-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO COCc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093215205 644681412 /nfs/dbraw/zinc/68/14/12/644681412.db2.gz MFWANOTZGAZYPG-LSDHHAIUSA-N 1 3 248.370 2.193 20 0 BEADHO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](N)CC)c1 ZINC000817980377 644992471 /nfs/dbraw/zinc/99/24/71/644992471.db2.gz UKYPVHLNBUGRDG-YPMHNXCESA-N 1 3 236.359 2.473 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCCC1 ZINC000925490167 645535520 /nfs/dbraw/zinc/53/55/20/645535520.db2.gz FGHGCRPQPNCSJG-AGIUHOORSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H](C)Cc1ccccn1 ZINC000924616222 646079211 /nfs/dbraw/zinc/07/92/11/646079211.db2.gz AJXHGCWGWNYEIY-AWEZNQCLSA-N 1 3 249.402 2.333 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H](C)Cc1ccccn1 ZINC000924616222 646079216 /nfs/dbraw/zinc/07/92/16/646079216.db2.gz AJXHGCWGWNYEIY-AWEZNQCLSA-N 1 3 249.402 2.333 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925595395 646351685 /nfs/dbraw/zinc/35/16/85/646351685.db2.gz JVOFGJKDQYGHSY-NDBYEHHHSA-N 1 3 236.403 2.399 20 0 BEADHO CC1(C)C[C@@H](NCCc2ccco2)C[C@@H]([NH3+])C1 ZINC000925611290 646359295 /nfs/dbraw/zinc/35/92/95/646359295.db2.gz LUICVKWAQFABPO-NEPJUHHUSA-N 1 3 236.359 2.318 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C12CCC(CC1)C2 ZINC000925627445 646374221 /nfs/dbraw/zinc/37/42/21/646374221.db2.gz YUDDWWQGAIHEJQ-MOKVOYLWSA-N 1 3 234.387 2.441 20 0 BEADHO CC1(CC[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925653196 646392921 /nfs/dbraw/zinc/39/29/21/646392921.db2.gz KCWQTJBOXOWZOQ-NSHDSACASA-N 1 3 208.349 2.051 20 0 BEADHO [NH3+]CCC[C@@H](NCCF)c1ccccc1 ZINC000925655171 646393782 /nfs/dbraw/zinc/39/37/82/646393782.db2.gz QOTUTSGUSCEDPE-GFCCVEGCSA-N 1 3 210.296 2.026 20 0 BEADHO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925656157 646393791 /nfs/dbraw/zinc/39/37/91/646393791.db2.gz VZBBZGHBNMTJBB-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925656158 646394199 /nfs/dbraw/zinc/39/41/99/646394199.db2.gz VZBBZGHBNMTJBB-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925689223 646414935 /nfs/dbraw/zinc/41/49/35/646414935.db2.gz HLJBOKSXAJHBEC-AVGNSLFASA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H](C)CC[NH2+][C@H]1CCNC12CCC2 ZINC000925703985 646429074 /nfs/dbraw/zinc/42/90/74/646429074.db2.gz GGLPADKRRQASEB-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@H]2C[C@@H](N)C23CCC3)C1(F)F ZINC000925706539 646431396 /nfs/dbraw/zinc/43/13/96/646431396.db2.gz LLTUUONSHAUPFU-AEJSXWLSSA-N 1 3 244.329 2.137 20 0 BEADHO CC1(C)[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1(F)F ZINC000925706539 646431400 /nfs/dbraw/zinc/43/14/00/646431400.db2.gz LLTUUONSHAUPFU-AEJSXWLSSA-N 1 3 244.329 2.137 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1C[C@H]1C1CCC1 ZINC000925711090 646436680 /nfs/dbraw/zinc/43/66/80/646436680.db2.gz WUEVZGNLMULSAK-XEVPTUHLSA-N 1 3 246.398 2.009 20 0 BEADHO Cc1ncccc1CN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925718992 646442113 /nfs/dbraw/zinc/44/21/13/646442113.db2.gz PBHUBFGODSDBBO-UONOGXRCSA-N 1 3 247.386 2.386 20 0 BEADHO Cc1ncccc1CN[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925718990 646443225 /nfs/dbraw/zinc/44/32/25/646443225.db2.gz PBHUBFGODSDBBO-KBPBESRZSA-N 1 3 247.386 2.386 20 0 BEADHO CC1CC(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925721875 646446004 /nfs/dbraw/zinc/44/60/04/646446004.db2.gz RDMHTHFANJRMSA-LSUUEXMVSA-N 1 3 236.403 2.399 20 0 BEADHO Cc1nc(C)c(CN(C)CCCCCC[NH3+])o1 ZINC000723647735 711530005 /nfs/dbraw/zinc/53/00/05/711530005.db2.gz ZYPVCQWSAIGFET-UHFFFAOYSA-N 1 3 239.363 2.242 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000925787119 646483829 /nfs/dbraw/zinc/48/38/29/646483829.db2.gz XCAVYZBACUEAGG-MROQNXINSA-N 1 3 228.355 2.102 20 0 BEADHO Cc1cccc2c1CC[C@H]2NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925790835 646484535 /nfs/dbraw/zinc/48/45/35/646484535.db2.gz LCTBADUKPGBELD-DVOMOZLQSA-N 1 3 244.382 2.427 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925790638 646485829 /nfs/dbraw/zinc/48/58/29/646485829.db2.gz JKBBQJIJLFHNJY-IVMMDQJWSA-N 1 3 244.382 2.427 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCS1 ZINC000925855540 646510753 /nfs/dbraw/zinc/51/07/53/646510753.db2.gz CQBYPLJGHDSAMS-KXNHARMFSA-N 1 3 228.405 2.001 20 0 BEADHO C1=CCCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925880999 646530705 /nfs/dbraw/zinc/53/07/05/646530705.db2.gz PJPMUJOBKYOXRL-RFBLXINOSA-N 1 3 246.398 2.319 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(F)CCC1 ZINC000926425955 646636581 /nfs/dbraw/zinc/63/65/81/646636581.db2.gz QDGPIFBDLAWWAT-FUNVUKJBSA-N 1 3 240.366 2.199 20 0 BEADHO C[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CN(C)C ZINC000926474045 646653764 /nfs/dbraw/zinc/65/37/64/646653764.db2.gz NQAKDHNFRMIUOQ-RQJABVFESA-N 1 3 222.376 2.128 20 0 BEADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](C)CN(C)C ZINC000926473698 646653919 /nfs/dbraw/zinc/65/39/19/646653919.db2.gz NFBPHRKEVWFKTC-MCIONIFRSA-N 1 3 244.423 2.103 20 0 BEADHO CC[C@@H]1CN(CCCC(C)(F)F)CC[C@@H]1[NH3+] ZINC000718709717 711663270 /nfs/dbraw/zinc/66/32/70/711663270.db2.gz UZEIRUQDIMJTKU-MNOVXSKESA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCNC1CC1 ZINC000136085664 711684261 /nfs/dbraw/zinc/68/42/61/711684261.db2.gz BPMBZLJZZDIQJM-DGCLKSJQSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H](C)[N@H+]1CCCNC1CC1 ZINC000136085664 711684263 /nfs/dbraw/zinc/68/42/63/711684263.db2.gz BPMBZLJZZDIQJM-DGCLKSJQSA-N 1 3 210.365 2.391 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CCC1 ZINC000229077844 711837571 /nfs/dbraw/zinc/83/75/71/711837571.db2.gz GEQFMEZOYWFATQ-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO CC(C)[NH+]1CCC(N[C@H]2C=CCC2)CC1 ZINC000700503910 711995021 /nfs/dbraw/zinc/99/50/21/711995021.db2.gz XAIFLVRXUNWXEY-LBPRGKRZSA-N 1 3 208.349 2.167 20 0 BEADHO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000701983929 712034343 /nfs/dbraw/zinc/03/43/43/712034343.db2.gz IZONWNBNWQMXKO-DMDPSCGWSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](NCC[C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000704777796 712116179 /nfs/dbraw/zinc/11/61/79/712116179.db2.gz VKZNJWIWFXPVHS-RWMBFGLXSA-N 1 3 242.432 2.250 20 0 BEADHO CN(C/C=C\Cl)CCCCCC[NH3+] ZINC000710683722 712254176 /nfs/dbraw/zinc/25/41/76/712254176.db2.gz KNKHCCVDTOFZBA-SREVYHEPSA-N 1 3 204.745 2.190 20 0 BEADHO FC[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000711440733 712300998 /nfs/dbraw/zinc/30/09/98/712300998.db2.gz FCTQBAYWJPTYNG-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@@H]2CN)O1 ZINC000714321995 712482012 /nfs/dbraw/zinc/48/20/12/712482012.db2.gz XOONDTDWMVOKRK-CHWSQXEVSA-N 1 3 240.391 2.147 20 0 BEADHO CC1(C)CCC[C@H](C[N@H+]2CCCC[C@@H]2CN)O1 ZINC000714321995 712482014 /nfs/dbraw/zinc/48/20/14/712482014.db2.gz XOONDTDWMVOKRK-CHWSQXEVSA-N 1 3 240.391 2.147 20 0 BEADHO CCC1([NH3+])CCN(CC2(C)CCC2)CC1 ZINC000714753525 712497335 /nfs/dbraw/zinc/49/73/35/712497335.db2.gz COZXIRSWXLUNRM-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000716412080 712559306 /nfs/dbraw/zinc/55/93/06/712559306.db2.gz GOOWIQICFNLJSZ-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO CC(F)(F)CCCN1CC[C@@](C)(C[NH3+])C1 ZINC000718572608 712775001 /nfs/dbraw/zinc/77/50/01/712775001.db2.gz SAEYZXRXVULJLY-JTQLQIEISA-N 1 3 220.307 2.093 20 0 BEADHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)CC(F)(F)C1 ZINC000720912885 712877681 /nfs/dbraw/zinc/87/76/81/712877681.db2.gz QYRPJRNIKFHNFM-UWVGGRQHSA-N 1 3 232.318 2.139 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000382099358 710776523 /nfs/dbraw/zinc/77/65/23/710776523.db2.gz BEMFWOOQCJTESA-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]([N@H+](C)CCCNC1CC1)C1(C)CC1 ZINC000385301949 711009925 /nfs/dbraw/zinc/00/99/25/711009925.db2.gz NCWRSOBUHYJHEI-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]([N@@H+](C)CCCNC1CC1)C1(C)CC1 ZINC000385301949 711009927 /nfs/dbraw/zinc/00/99/27/711009927.db2.gz NCWRSOBUHYJHEI-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H](N(C)CCC[NH2+]C1CC1)C1(C)CC1 ZINC000385301949 711009932 /nfs/dbraw/zinc/00/99/32/711009932.db2.gz NCWRSOBUHYJHEI-LLVKDONJSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)[C@@H]1C ZINC000380702833 712902491 /nfs/dbraw/zinc/90/24/91/712902491.db2.gz XSIZJJVEFUAALL-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)[C@@H]1C ZINC000380702833 712902492 /nfs/dbraw/zinc/90/24/92/712902492.db2.gz XSIZJJVEFUAALL-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000389618889 711082579 /nfs/dbraw/zinc/08/25/79/711082579.db2.gz HVAMZKZPMZIBPM-XQHKEYJVSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@H]1C)CN1CCCCC1 ZINC000390459369 711118914 /nfs/dbraw/zinc/11/89/14/711118914.db2.gz BLSZFNDEDZPRQJ-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1(C2CC2)CCC1 ZINC000391420731 711138994 /nfs/dbraw/zinc/13/89/94/711138994.db2.gz DBSRRJZQBTWQAE-XSXPHNMFSA-N 1 3 246.398 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000392816598 711152340 /nfs/dbraw/zinc/15/23/40/711152340.db2.gz ANNOJOUXQBLVBW-SRGUQECISA-N 1 3 234.387 2.151 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CCCC1CC1)C2 ZINC000394493438 711193658 /nfs/dbraw/zinc/19/36/58/711193658.db2.gz AOHPZDUAHAYNQM-KBPBESRZSA-N 1 3 222.376 2.237 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCC1CC1)C2 ZINC000394493438 711193661 /nfs/dbraw/zinc/19/36/61/711193661.db2.gz AOHPZDUAHAYNQM-KBPBESRZSA-N 1 3 222.376 2.237 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@]1(C)CCCS1 ZINC000396601529 711353166 /nfs/dbraw/zinc/35/31/66/711353166.db2.gz XPNMONIIVIRJJS-SRVKXCTJSA-N 1 3 228.405 2.002 20 0 BEADHO CS[C@@H]1CC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000386552795 711033318 /nfs/dbraw/zinc/03/33/18/711033318.db2.gz HGUTYKXJBXOMLM-YVECIDJPSA-N 1 3 242.432 2.391 20 0 BEADHO CO[C@H](CN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000382366504 711503000 /nfs/dbraw/zinc/50/30/00/711503000.db2.gz XZADMMOQHNPRKP-UKRRQHHQSA-N 1 3 248.370 2.045 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000723104748 711503184 /nfs/dbraw/zinc/50/31/84/711503184.db2.gz ZGCCYHHLSAFXHA-RFGFWPKPSA-N 1 3 222.376 2.093 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000723104748 711503186 /nfs/dbraw/zinc/50/31/86/711503186.db2.gz ZGCCYHHLSAFXHA-RFGFWPKPSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)CN(C)C ZINC000723560993 711517726 /nfs/dbraw/zinc/51/77/26/711517726.db2.gz VLBUHXOTRUCWKF-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383104497 711668194 /nfs/dbraw/zinc/66/81/94/711668194.db2.gz CSVRDWRYGUNIQM-ZTQNTSQUSA-N 1 3 234.387 2.009 20 0 BEADHO CC(C)(NCCCCCC[NH3+])c1nccs1 ZINC000232556655 711760942 /nfs/dbraw/zinc/76/09/42/711760942.db2.gz XAWDSWVGOPWZMN-UHFFFAOYSA-N 1 3 241.404 2.487 20 0 BEADHO C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216508 711937775 /nfs/dbraw/zinc/93/77/75/711937775.db2.gz PYJSRPWPNRDONH-AGIUHOORSA-N 1 3 220.360 2.049 20 0 BEADHO COC[C@H](C[N@@H+]1CCCC[C@H]1CCN)C(C)C ZINC000721959262 711948040 /nfs/dbraw/zinc/94/80/40/711948040.db2.gz HGMRSTZDTFIJAJ-KBPBESRZSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@H](C[N@H+]1CCCC[C@H]1CCN)C(C)C ZINC000721959262 711948042 /nfs/dbraw/zinc/94/80/42/711948042.db2.gz HGMRSTZDTFIJAJ-KBPBESRZSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@]12C[NH2+]C[C@H]1CN(CCC1CCCCC1)C2 ZINC000702071056 712037289 /nfs/dbraw/zinc/03/72/89/712037289.db2.gz IPXBWKOLRLQCSQ-LSDHHAIUSA-N 1 3 236.403 2.498 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCCC12CC2 ZINC000706262962 712142562 /nfs/dbraw/zinc/14/25/62/712142562.db2.gz ITIZEWDWAICLRD-XDSHMYFISA-N 1 3 246.398 2.153 20 0 BEADHO CSC1CC([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000706885883 712158940 /nfs/dbraw/zinc/15/89/40/712158940.db2.gz PJGSNSNNUFIAPU-PNESKVBLSA-N 1 3 242.432 2.202 20 0 BEADHO CC[N@H+](C[C@@]1(C)CCCNC1)C1CCC1 ZINC000706892301 712159535 /nfs/dbraw/zinc/15/95/35/712159535.db2.gz APIJSGKVFJJUJP-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC[N@@H+](C[C@@]1(C)CCCNC1)C1CCC1 ZINC000706892301 712159537 /nfs/dbraw/zinc/15/95/37/712159537.db2.gz APIJSGKVFJJUJP-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)(C)SCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709387848 712220616 /nfs/dbraw/zinc/22/06/16/712220616.db2.gz CPQDYAKMRQWDFI-FOSCPWQOSA-N 1 3 242.432 2.391 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709920527 712232451 /nfs/dbraw/zinc/23/24/51/712232451.db2.gz QDPRSMUKOPENNB-XGUBFFRZSA-N 1 3 234.387 2.108 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000709920527 712232453 /nfs/dbraw/zinc/23/24/53/712232453.db2.gz QDPRSMUKOPENNB-XGUBFFRZSA-N 1 3 234.387 2.108 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710511333 712253798 /nfs/dbraw/zinc/25/37/98/712253798.db2.gz VRSSHSHUVXSJGW-PZWNZHSQSA-N 1 3 244.329 2.089 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711417444 712299079 /nfs/dbraw/zinc/29/90/79/712299079.db2.gz VWQFIXDFWMODNR-NEPJUHHUSA-N 1 3 216.344 2.041 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CF)C1 ZINC000711417444 712299080 /nfs/dbraw/zinc/29/90/80/712299080.db2.gz VWQFIXDFWMODNR-NEPJUHHUSA-N 1 3 216.344 2.041 20 0 BEADHO C[C@]1(CN2CCC[C@@H](CF)C2)CCC[NH2+]C1 ZINC000711420186 712299270 /nfs/dbraw/zinc/29/92/70/712299270.db2.gz XIPXAVXIPUFLFF-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO C[C@]1(C[N@@H+]2CCC[C@@H](CF)C2)CCCNC1 ZINC000711420186 712299272 /nfs/dbraw/zinc/29/92/72/712299272.db2.gz XIPXAVXIPUFLFF-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO C[C@]1(C[N@H+]2CCC[C@@H](CF)C2)CCCNC1 ZINC000711420186 712299274 /nfs/dbraw/zinc/29/92/74/712299274.db2.gz XIPXAVXIPUFLFF-STQMWFEESA-N 1 3 228.355 2.058 20 0 BEADHO CO[C@H]1C[C@H](CN[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000714708606 712496375 /nfs/dbraw/zinc/49/63/75/712496375.db2.gz WHUPMEWIDANCAV-FKGLVLAHSA-N 1 3 246.354 2.146 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000715563116 712528870 /nfs/dbraw/zinc/52/88/70/712528870.db2.gz URHDOBAVFDGCDE-XLWJZTARSA-N 1 3 236.403 2.495 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000715563114 712528965 /nfs/dbraw/zinc/52/89/65/712528965.db2.gz URHDOBAVFDGCDE-AIEDFZFUSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CS1 ZINC000715572722 712529368 /nfs/dbraw/zinc/52/93/68/712529368.db2.gz MVADITPXZXVCFP-MROQNXINSA-N 1 3 242.432 2.343 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000716630918 712567957 /nfs/dbraw/zinc/56/79/57/712567957.db2.gz ATAGNTRXLCHCLL-PLJUSGQGSA-N 1 3 236.403 2.399 20 0 BEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1ccccc1 ZINC000717307420 712646198 /nfs/dbraw/zinc/64/61/98/712646198.db2.gz MKNUVECSXAWZLO-LBPRGKRZSA-N 1 3 240.297 2.021 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2ccccn2)C1 ZINC000925494803 712696254 /nfs/dbraw/zinc/69/62/54/712696254.db2.gz MFWNLYJONDZXAS-GXTWGEPZSA-N 1 3 247.386 2.120 20 0 BEADHO CC[C@@H](CC(F)F)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720850271 712870946 /nfs/dbraw/zinc/87/09/46/712870946.db2.gz PDCCVHOSZDDIIM-GMXVVIOVSA-N 1 3 246.345 2.209 20 0 BEADHO C[C@@H]1CN(C)[C@@H](C)CN1c1cc2[nH]ccc2c[nH+]1 ZINC001164633112 719162207 /nfs/dbraw/zinc/16/22/07/719162207.db2.gz GQCPUZRVXALSJZ-WDEREUQCSA-N 1 3 244.342 2.092 20 0 BEADHO C[C@H]1[NH2+]CCC[C@H]1NCCCOC1CCCC1 ZINC000925530894 960286270 /nfs/dbraw/zinc/28/62/70/960286270.db2.gz HHOSLVKKSNCKSQ-TZMCWYRMSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCC(C)(C)C1)N(C)C ZINC000697879256 964603016 /nfs/dbraw/zinc/60/30/16/964603016.db2.gz NEGORBXNZKGEKB-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCCNC1 ZINC000162334527 966618078 /nfs/dbraw/zinc/61/80/78/966618078.db2.gz YTQFOZSUKFBQCQ-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCCNC1 ZINC000162334527 966618084 /nfs/dbraw/zinc/61/80/84/966618084.db2.gz YTQFOZSUKFBQCQ-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO CC[NH+]1CCC(CN2CCC[C@@H](F)C2)CC1 ZINC001208599421 969151922 /nfs/dbraw/zinc/15/19/22/969151922.db2.gz HKBLOCYQFLJSHJ-CYBMUJFWSA-N 1 3 228.355 2.152 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1CCC[C@@H](OC)C1 ZINC000226539028 1166288114 /nfs/dbraw/zinc/28/81/14/1166288114.db2.gz QBEYDSJLKQOUCJ-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1CCC[C@@H](OC)C1 ZINC000226539028 1166288120 /nfs/dbraw/zinc/28/81/20/1166288120.db2.gz QBEYDSJLKQOUCJ-CHWSQXEVSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000226560300 1166295713 /nfs/dbraw/zinc/29/57/13/1166295713.db2.gz UBQHAICHLBADPT-QWHCGFSZSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H]1C(C)C ZINC000226560300 1166295718 /nfs/dbraw/zinc/29/57/18/1166295718.db2.gz UBQHAICHLBADPT-QWHCGFSZSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)CCCN)CC(C)(C)C1 ZINC000227741939 1166306997 /nfs/dbraw/zinc/30/69/97/1166306997.db2.gz JKIWMZIRWASWGS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)CCCN)CC(C)(C)C1 ZINC000227741939 1166307004 /nfs/dbraw/zinc/30/70/04/1166307004.db2.gz JKIWMZIRWASWGS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO CCCC[C@@H](CC)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723469976 969318382 /nfs/dbraw/zinc/31/83/82/969318382.db2.gz KMWXUIZMOBEUDE-JHJVBQTASA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)(CCN[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000328563524 1166476292 /nfs/dbraw/zinc/47/62/92/1166476292.db2.gz JIVCEKKUMJWWOX-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO C[NH2+]CCNc1ccc2cnc(C)cc2c1 ZINC001167727064 1166628954 /nfs/dbraw/zinc/62/89/54/1166628954.db2.gz STMIPOMCBXOASU-UHFFFAOYSA-N 1 3 215.300 2.175 20 0 BEADHO C[C@@H](Cc1ccccc1F)NC(C)(C)C[NH3+] ZINC001255830136 970506248 /nfs/dbraw/zinc/50/62/48/970506248.db2.gz QLLIJPDZMTUTRW-JTQLQIEISA-N 1 3 224.323 2.084 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)n1ccnc1[C@@H](C)N ZINC001255940629 970568055 /nfs/dbraw/zinc/56/80/55/970568055.db2.gz FDPYJEAWEMCGBA-VXGBXAGGSA-N 1 3 238.379 2.196 20 0 BEADHO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255943566 970578366 /nfs/dbraw/zinc/57/83/66/970578366.db2.gz OBELEOGVZFPWAS-BFHYXJOUSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC001255948180 970582658 /nfs/dbraw/zinc/58/26/58/970582658.db2.gz GRJUMIRHSWVGTJ-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC001255948097 970583863 /nfs/dbraw/zinc/58/38/63/970583863.db2.gz DYJCSMHPZPFWJY-IHRRRGAJSA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@H]1C1CC1 ZINC001255954453 970588081 /nfs/dbraw/zinc/58/80/81/970588081.db2.gz DSRGRQFTQFCXJE-FPMFFAJLSA-N 1 3 224.392 2.495 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@@H]2C1 ZINC001255957638 970597383 /nfs/dbraw/zinc/59/73/83/970597383.db2.gz UAHHAURNUZOCAP-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N(CCOC)C(C)C ZINC001255959963 970601794 /nfs/dbraw/zinc/60/17/94/970601794.db2.gz BZOLWEOVDNSTOB-CQSZACIVSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](CCOC)C(C)C ZINC001255959963 970601799 /nfs/dbraw/zinc/60/17/99/970601799.db2.gz BZOLWEOVDNSTOB-CQSZACIVSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](CCOC)C(C)C ZINC001255959963 970601804 /nfs/dbraw/zinc/60/18/04/970601804.db2.gz BZOLWEOVDNSTOB-CQSZACIVSA-N 1 3 244.423 2.464 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000925829542 1166879518 /nfs/dbraw/zinc/87/95/18/1166879518.db2.gz CKSVZUYSRFPBBL-SDDRHHMPSA-N 1 3 248.370 2.225 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000925829545 1166879632 /nfs/dbraw/zinc/87/96/32/1166879632.db2.gz CKSVZUYSRFPBBL-SRVKXCTJSA-N 1 3 248.370 2.225 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428691 1166917333 /nfs/dbraw/zinc/91/73/33/1166917333.db2.gz SDZDPUKCZQAGQD-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428691 1166917340 /nfs/dbraw/zinc/91/73/40/1166917340.db2.gz SDZDPUKCZQAGQD-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428692 1166917856 /nfs/dbraw/zinc/91/78/56/1166917856.db2.gz SDZDPUKCZQAGQD-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC3(CCCC3)C2)CN1 ZINC000304428692 1166917863 /nfs/dbraw/zinc/91/78/63/1166917863.db2.gz SDZDPUKCZQAGQD-OLZOCXBDSA-N 1 3 222.376 2.393 20 0 BEADHO C(CN[C@H]1CCC[NH2+]C1)CC1CCCC1 ZINC000225110495 1166918731 /nfs/dbraw/zinc/91/87/31/1166918731.db2.gz MRKURUCZEDZGQG-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO CCSC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001173315282 975305519 /nfs/dbraw/zinc/30/55/19/975305519.db2.gz OVRNHXOKAFYESI-LBPRGKRZSA-N 1 3 242.432 2.156 20 0 BEADHO C[NH2+][C@@]12CC[C@@](NCCOC(C)C)(C1)CCC2 ZINC001277658624 978047350 /nfs/dbraw/zinc/04/73/50/978047350.db2.gz VJEYRGXBYMQYJC-UONOGXRCSA-N 1 3 240.391 2.066 20 0 BEADHO C[N@@H+]1CCC[C@@H](NCCOC2CCCC2)CC1 ZINC000086819128 1168313781 /nfs/dbraw/zinc/31/37/81/1168313781.db2.gz YGHIPGZBMSMTNN-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+]1CCC[C@@H](NCCOC2CCCC2)CC1 ZINC000086819128 1168313785 /nfs/dbraw/zinc/31/37/85/1168313785.db2.gz YGHIPGZBMSMTNN-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@H](N)C[N@H+](C)CCCc1ccc(F)cc1 ZINC001236858255 979767860 /nfs/dbraw/zinc/76/78/60/979767860.db2.gz AMESLLJCMIFXDT-AWEZNQCLSA-N 1 3 238.350 2.427 20 0 BEADHO CC[C@H](N)C[N@@H+](C)CCCc1ccc(F)cc1 ZINC001236858255 979767866 /nfs/dbraw/zinc/76/78/66/979767866.db2.gz AMESLLJCMIFXDT-AWEZNQCLSA-N 1 3 238.350 2.427 20 0 BEADHO CC(C)OCC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001172443913 974805116 /nfs/dbraw/zinc/80/51/16/974805116.db2.gz SSJLCHHWADFNGV-LBPRGKRZSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)COCC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001172461406 974826327 /nfs/dbraw/zinc/82/63/27/974826327.db2.gz GLFKKGCAHNDOFY-CYBMUJFWSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@H](CC1CC1)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246560411 972793918 /nfs/dbraw/zinc/79/39/18/972793918.db2.gz ULPMPFLRVLILIC-MWLCHTKSSA-N 1 3 232.318 2.091 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666656 973072506 /nfs/dbraw/zinc/07/25/06/973072506.db2.gz WVMYHYMFPFBHBB-VJTDZRGJSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666656 973072520 /nfs/dbraw/zinc/07/25/20/973072520.db2.gz WVMYHYMFPFBHBB-VJTDZRGJSA-N 1 3 224.392 2.336 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@@H](C)Cc1ccsc1 ZINC001329023478 973433906 /nfs/dbraw/zinc/43/39/06/973433906.db2.gz IMFQIFJRIYCTRR-QWRGUYRKSA-N 1 3 226.389 2.267 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@]2(C)CCOC2)CC1 ZINC001256566161 970863008 /nfs/dbraw/zinc/86/30/08/970863008.db2.gz IUQDEXLODTWERZ-CQSZACIVSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)(C[NH3+])N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787709 970989473 /nfs/dbraw/zinc/98/94/73/970989473.db2.gz WQHMXFWNNFIMJG-ZIAGYGMSSA-N 1 3 248.370 2.234 20 0 BEADHO CN1CCc2cc(C3=C[NH2+]CCC3)ccc2C1 ZINC001243950582 971043803 /nfs/dbraw/zinc/04/38/03/971043803.db2.gz GWNCQGNMYFRLJP-UHFFFAOYSA-N 1 3 228.339 2.399 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1cccs1 ZINC000404842972 971185208 /nfs/dbraw/zinc/18/52/08/971185208.db2.gz CHPDXWHVAMUQDX-GHMZBOCLSA-N 1 3 224.373 2.006 20 0 BEADHO [NH3+][C@H]1C[C@H](NCCc2ccccc2)C12CCC2 ZINC000405247932 971219835 /nfs/dbraw/zinc/21/98/35/971219835.db2.gz IFRLGQSHKLTBBN-KBPBESRZSA-N 1 3 230.355 2.089 20 0 BEADHO CCC[C@@H](C)[N@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257327069 971226186 /nfs/dbraw/zinc/22/61/86/971226186.db2.gz GEVPISPEIPQVKA-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO CCC[C@@H](C)[N@@H+]1C[C@H]2CN(CCC)C[C@H]2C1 ZINC001257327069 971226194 /nfs/dbraw/zinc/22/61/94/971226194.db2.gz GEVPISPEIPQVKA-MCIONIFRSA-N 1 3 224.392 2.449 20 0 BEADHO CCC[C@H](C)[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001257327068 971227869 /nfs/dbraw/zinc/22/78/69/971227869.db2.gz GEVPISPEIPQVKA-IHRRRGAJSA-N 1 3 224.392 2.449 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@](C)(N)C1 ZINC000405886485 971319579 /nfs/dbraw/zinc/31/95/79/971319579.db2.gz WODQRMCGSSOENR-CQSZACIVSA-N 1 3 218.344 2.227 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@@](C)(N)C1 ZINC000405886485 971319581 /nfs/dbraw/zinc/31/95/81/971319581.db2.gz WODQRMCGSSOENR-CQSZACIVSA-N 1 3 218.344 2.227 20 0 BEADHO CCCCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001257504660 971422573 /nfs/dbraw/zinc/42/25/73/971422573.db2.gz YZSIGWYNHNHMCI-NEPJUHHUSA-N 1 3 200.370 2.482 20 0 BEADHO CCCCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001257504660 971422576 /nfs/dbraw/zinc/42/25/76/971422576.db2.gz YZSIGWYNHNHMCI-NEPJUHHUSA-N 1 3 200.370 2.482 20 0 BEADHO CCCCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001257504666 971423763 /nfs/dbraw/zinc/42/37/63/971423763.db2.gz YZSIGWYNHNHMCI-VXGBXAGGSA-N 1 3 200.370 2.482 20 0 BEADHO CCCCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001257504666 971423769 /nfs/dbraw/zinc/42/37/69/971423769.db2.gz YZSIGWYNHNHMCI-VXGBXAGGSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)OC1CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC001257874567 971511592 /nfs/dbraw/zinc/51/15/92/971511592.db2.gz FRHRVBGYQBNLSW-IYXRBSQSSA-N 1 3 242.407 2.249 20 0 BEADHO CC(C)OC1CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC001257874567 971511604 /nfs/dbraw/zinc/51/16/04/971511604.db2.gz FRHRVBGYQBNLSW-IYXRBSQSSA-N 1 3 242.407 2.249 20 0 BEADHO [NH3+][C@@H]1CCN(CCc2cccs2)CC[C@H]1F ZINC001206154518 974328086 /nfs/dbraw/zinc/32/80/86/974328086.db2.gz JPGQJNMZAQPBJK-VXGBXAGGSA-N 1 3 242.363 2.052 20 0 BEADHO [NH3+][C@@H]1CCN(CCc2cccs2)CC[C@@H]1F ZINC001206154514 974331766 /nfs/dbraw/zinc/33/17/66/974331766.db2.gz JPGQJNMZAQPBJK-NWDGAFQWSA-N 1 3 242.363 2.052 20 0 BEADHO [NH3+][C@H]1CCN(CCc2cccs2)CC[C@H]1F ZINC001206154513 974332291 /nfs/dbraw/zinc/33/22/91/974332291.db2.gz JPGQJNMZAQPBJK-NEPJUHHUSA-N 1 3 242.363 2.052 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156394 974339889 /nfs/dbraw/zinc/33/98/89/974339889.db2.gz QMNIKRVMJWIZPQ-UONOGXRCSA-N 1 3 236.334 2.256 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C(F)F)C1)C2 ZINC001172129938 974350356 /nfs/dbraw/zinc/35/03/56/974350356.db2.gz FGWJAMYVFGJUNA-ZSBIGDGJSA-N 1 3 244.329 2.199 20 0 BEADHO CC1(C)C[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218316060 971701509 /nfs/dbraw/zinc/70/15/09/971701509.db2.gz OMDXSYTZIQKTLB-CQSZACIVSA-N 1 3 246.354 2.057 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H](F)C1)C2 ZINC001172121442 974390738 /nfs/dbraw/zinc/39/07/38/974390738.db2.gz QNZIPAAUMNJECI-WUHRBBMRSA-N 1 3 226.339 2.046 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H](F)C1)C2 ZINC001172121442 974390745 /nfs/dbraw/zinc/39/07/45/974390745.db2.gz QNZIPAAUMNJECI-WUHRBBMRSA-N 1 3 226.339 2.046 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CCOC ZINC000309654806 971722497 /nfs/dbraw/zinc/72/24/97/971722497.db2.gz PHCHBOQBUATWPV-STQMWFEESA-N 1 3 230.396 2.121 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)[C@H](C)OC ZINC000309676109 971754752 /nfs/dbraw/zinc/75/47/52/971754752.db2.gz XSMZELCBZXOQBB-AVGNSLFASA-N 1 3 230.396 2.120 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000309676109 971754755 /nfs/dbraw/zinc/75/47/55/971754755.db2.gz XSMZELCBZXOQBB-AVGNSLFASA-N 1 3 230.396 2.120 20 0 BEADHO C([C@@H]1CCCCN1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309934658 971883976 /nfs/dbraw/zinc/88/39/76/971883976.db2.gz XTTMNZHMWXCYGW-MJBXVCDLSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@@H]1CCCCN1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309934658 971883979 /nfs/dbraw/zinc/88/39/79/971883979.db2.gz XTTMNZHMWXCYGW-MJBXVCDLSA-N 1 3 222.376 2.251 20 0 BEADHO CC(C)CC[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000190775193 972053789 /nfs/dbraw/zinc/05/37/89/972053789.db2.gz BTMBUTNOBRIAGZ-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)CC[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000190775176 972055245 /nfs/dbraw/zinc/05/52/45/972055245.db2.gz BTMBUTNOBRIAGZ-OLZOCXBDSA-N 1 3 212.381 2.495 20 0 BEADHO N[C@H](CCC[NH3+])Nc1cccc(C(F)F)c1 ZINC001170900475 972065196 /nfs/dbraw/zinc/06/51/96/972065196.db2.gz URNQOOJELFVKJN-JTQLQIEISA-N 1 3 229.274 2.060 20 0 BEADHO CCn1ccc2cc(N[C@H](N)CCC[NH3+])ccc21 ZINC001170902878 972072424 /nfs/dbraw/zinc/07/24/24/972072424.db2.gz GSIZZMNCEDUDEG-AWEZNQCLSA-N 1 3 246.358 2.097 20 0 BEADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246080250 972135859 /nfs/dbraw/zinc/13/58/59/972135859.db2.gz QMDWFDZSOAETEP-OAHLLOKOSA-N 1 3 248.345 2.025 20 0 BEADHO CN1CCC=C(c2ccccc2C2([NH3+])CC2)C1 ZINC001241571346 1169734625 /nfs/dbraw/zinc/73/46/25/1169734625.db2.gz YTEZVJAVWDPNOC-UHFFFAOYSA-N 1 3 228.339 2.353 20 0 BEADHO Cc1nc(NCC(C)(C)[NH3+])cc2[nH]ccc21 ZINC001160031936 972207473 /nfs/dbraw/zinc/20/74/73/972207473.db2.gz GZPHJGZJANOYCH-UHFFFAOYSA-N 1 3 218.304 2.021 20 0 BEADHO C[C@H]1C[C@@H](NC[C@@H]2CC[NH2+]2)CC(C)(C)C1 ZINC001246216889 972219372 /nfs/dbraw/zinc/21/93/72/972219372.db2.gz JHPGLFIUQJOVBS-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC(C[N@@H+]2CCC[C@@H](N)CC2)C[C@@H](C)O1 ZINC000724507938 957320287 /nfs/dbraw/zinc/32/02/87/957320287.db2.gz JKLWLUYTUFTJCB-YRGRVCCFSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC(C[N@H+]2CCC[C@@H](N)CC2)C[C@@H](C)O1 ZINC000724507938 957320301 /nfs/dbraw/zinc/32/03/01/957320301.db2.gz JKLWLUYTUFTJCB-YRGRVCCFSA-N 1 3 240.391 2.003 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC001209429312 957451083 /nfs/dbraw/zinc/45/10/83/957451083.db2.gz WJXYCNAGTDYTIF-JSGCOSHPSA-N 1 3 245.370 2.168 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1CCc2c(F)cccc2C1 ZINC001246311421 972272608 /nfs/dbraw/zinc/27/26/08/972272608.db2.gz CLTFSTUHWMKUOE-NWDGAFQWSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC000706561389 958008329 /nfs/dbraw/zinc/00/83/29/958008329.db2.gz XKYUWMNLRVZWJV-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](Cc1ccco1)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000398805628 958396692 /nfs/dbraw/zinc/39/66/92/958396692.db2.gz PHFDSOQEVYHZHT-AVGNSLFASA-N 1 3 236.359 2.046 20 0 BEADHO C[C@@H]1CC[C@H](NCCC2CCCC2)C[NH2+]1 ZINC000398958879 958458133 /nfs/dbraw/zinc/45/81/33/958458133.db2.gz KQAFBXPMDUVCFN-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN(C)C ZINC000403636664 958749341 /nfs/dbraw/zinc/74/93/41/958749341.db2.gz NQWNDWCVIVZHEE-WODVXLOZSA-N 1 3 242.432 2.200 20 0 BEADHO C[C@H](Cc1ccccn1)[NH2+]CC[C@H]1CCCN1C ZINC000707961858 958880004 /nfs/dbraw/zinc/88/00/04/958880004.db2.gz VMONDLYLFQKGSE-UKRRQHHQSA-N 1 3 247.386 2.087 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222141448 972387856 /nfs/dbraw/zinc/38/78/56/972387856.db2.gz MJDLCTPHQVJXFB-FZKCQIBNSA-N 1 3 246.398 2.274 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222141448 972387866 /nfs/dbraw/zinc/38/78/66/972387866.db2.gz MJDLCTPHQVJXFB-FZKCQIBNSA-N 1 3 246.398 2.274 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222141449 972389991 /nfs/dbraw/zinc/38/99/91/972389991.db2.gz MJDLCTPHQVJXFB-JJXSEGSLSA-N 1 3 246.398 2.274 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC001222141449 972390000 /nfs/dbraw/zinc/39/00/00/972390000.db2.gz MJDLCTPHQVJXFB-JJXSEGSLSA-N 1 3 246.398 2.274 20 0 BEADHO COC(C)(C)CC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222236883 972416738 /nfs/dbraw/zinc/41/67/38/972416738.db2.gz CMZOMXREEGATKU-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO COC(C)(C)CC[N@H+]1CCC[C@]12CCCNC2 ZINC001222236883 972416744 /nfs/dbraw/zinc/41/67/44/972416744.db2.gz CMZOMXREEGATKU-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@]1(N)CC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531415 972440457 /nfs/dbraw/zinc/44/04/57/972440457.db2.gz QTAPJHHCVRXFHZ-GJZGRUSLSA-N 1 3 248.345 2.106 20 0 BEADHO C[C@]1(N)CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531415 972440463 /nfs/dbraw/zinc/44/04/63/972440463.db2.gz QTAPJHHCVRXFHZ-GJZGRUSLSA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@]1(N)CC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531416 972440961 /nfs/dbraw/zinc/44/09/61/972440961.db2.gz QTAPJHHCVRXFHZ-HUUCEWRRSA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@]1(N)CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531416 972440963 /nfs/dbraw/zinc/44/09/63/972440963.db2.gz QTAPJHHCVRXFHZ-HUUCEWRRSA-N 1 3 248.345 2.106 20 0 BEADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCCC(F)(F)C2)C12CCC2 ZINC000695112751 960106728 /nfs/dbraw/zinc/10/67/28/960106728.db2.gz MFHFMFWVCAXKOR-HBNTYKKESA-N 1 3 244.329 2.424 20 0 BEADHO C[C@@H]1CCN(CCC2CC[NH+](C)CC2)C[C@H]1F ZINC001207478995 960346055 /nfs/dbraw/zinc/34/60/55/960346055.db2.gz ADABMBJKSBUVKT-TZMCWYRMSA-N 1 3 242.382 2.398 20 0 BEADHO Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000300086585 961825352 /nfs/dbraw/zinc/82/53/52/961825352.db2.gz KXWFXWVNZDYIQB-QMTHXVAHSA-N 1 3 243.354 2.255 20 0 BEADHO Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000300086585 961825354 /nfs/dbraw/zinc/82/53/54/961825354.db2.gz KXWFXWVNZDYIQB-QMTHXVAHSA-N 1 3 243.354 2.255 20 0 BEADHO C(C1CC1)N1CCC2(C[NH+]([C@H]3C[C@H]4C[C@H]4C3)C2)C1 ZINC001167939350 962145947 /nfs/dbraw/zinc/14/59/47/962145947.db2.gz VCCDEQJEQGDEAZ-FICVDOATSA-N 1 3 246.398 2.203 20 0 BEADHO CCN(C)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167947630 962564641 /nfs/dbraw/zinc/56/46/41/962564641.db2.gz CKNGHVYARXIMLR-IMRBUKKESA-N 1 3 222.376 2.201 20 0 BEADHO CC(C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167958164 962823576 /nfs/dbraw/zinc/82/35/76/962823576.db2.gz CUUQGCDSXLGHSO-AGUYFDCRSA-N 1 3 222.376 2.390 20 0 BEADHO CC(C)[NH+]1CCC(CNc2cccc(N)n2)CC1 ZINC001156495594 963371127 /nfs/dbraw/zinc/37/11/27/963371127.db2.gz JCSLCGGQYNEHJJ-UHFFFAOYSA-N 1 3 248.374 2.196 20 0 BEADHO Cc1cc2ns[nH]c-2cc1=[NH+]C1=CCNCC1 ZINC001159932682 964228496 /nfs/dbraw/zinc/22/84/96/964228496.db2.gz BVKZAMRRMHCPDT-UHFFFAOYSA-N 1 3 246.339 2.289 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCc2ccccc2C1)N(C)C ZINC000697858922 964573226 /nfs/dbraw/zinc/57/32/26/964573226.db2.gz PENDIEZLDOQNAH-CZUORRHYSA-N 1 3 246.398 2.474 20 0 BEADHO CSC1(C[NH2+]CC[C@H](C)N(C)C)CCC1 ZINC000697888634 964636301 /nfs/dbraw/zinc/63/63/01/964636301.db2.gz PKCBMJMDIWLJQU-NSHDSACASA-N 1 3 230.421 2.202 20 0 BEADHO Cc1ccc(C[NH2+]CC[C@H](C)N(C)C)s1 ZINC000697888175 964636796 /nfs/dbraw/zinc/63/67/96/964636796.db2.gz IJCLOTLHQGGONU-JTQLQIEISA-N 1 3 226.389 2.486 20 0 BEADHO CCC[NH+]1CCC(N[C@H]2C=CCC2)CC1 ZINC000698207868 965108964 /nfs/dbraw/zinc/10/89/64/965108964.db2.gz YDUXKRGJOPFMNX-LBPRGKRZSA-N 1 3 208.349 2.169 20 0 BEADHO C1=C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000698277942 965166853 /nfs/dbraw/zinc/16/68/53/965166853.db2.gz MSEXMNOJWLCOEG-IGQOVBAYSA-N 1 3 220.360 2.215 20 0 BEADHO C[NH+](C)CC1CCC(Nc2cccc(N)n2)CC1 ZINC001163299306 965325069 /nfs/dbraw/zinc/32/50/69/965325069.db2.gz RKRHTUDCZPJOQP-UHFFFAOYSA-N 1 3 248.374 2.196 20 0 BEADHO c1cc(N[C@H]2CN3CCC2CC3)cc(C2CC2)[nH+]1 ZINC001163395647 965391615 /nfs/dbraw/zinc/39/16/15/965391615.db2.gz UWNDEYOSKXTTIM-HNNXBMFYSA-N 1 3 243.354 2.465 20 0 BEADHO Cc1nc2ccc(N[C@H](C)C[NH+](C)C)cc2[nH]1 ZINC001163776747 965580892 /nfs/dbraw/zinc/58/08/92/965580892.db2.gz JRADZDFQIMFAOG-SECBINFHSA-N 1 3 232.331 2.233 20 0 BEADHO CC(C)N(CCC[NH3+])c1c[nH]cc2ccnc1-2 ZINC001164123015 965744987 /nfs/dbraw/zinc/74/49/87/965744987.db2.gz VSPXOGLBDUNRBZ-UHFFFAOYSA-N 1 3 232.331 2.127 20 0 BEADHO CCN1C[C@H]2C[NH+](Cc3cccc(C)c3)C[C@@H]2C1 ZINC001203893541 966811849 /nfs/dbraw/zinc/81/18/49/966811849.db2.gz KKIBSMRFIBVLPR-HOTGVXAUSA-N 1 3 244.382 2.379 20 0 BEADHO C[NH+]1CCC2(CCN(Cc3ccc[nH]3)CC2)CC1 ZINC001204011349 966851225 /nfs/dbraw/zinc/85/12/25/966851225.db2.gz NRCDAPDBDXRSQG-UHFFFAOYSA-N 1 3 247.386 2.323 20 0 BEADHO CN1CC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001204042998 966869988 /nfs/dbraw/zinc/86/99/88/966869988.db2.gz RQRFHOUFKAKLKO-UHFFFAOYSA-N 1 3 236.384 2.276 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCC3)[C@H]2C1 ZINC001204089349 966888436 /nfs/dbraw/zinc/88/84/36/966888436.db2.gz MGVNUHXCBGEYHC-AVGNSLFASA-N 1 3 222.376 2.106 20 0 BEADHO COCc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205116623 967362733 /nfs/dbraw/zinc/36/27/33/967362733.db2.gz FBHACXZNJLKTLY-HNNXBMFYSA-N 1 3 248.370 2.146 20 0 BEADHO Cc1c(F)cccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205135903 967380168 /nfs/dbraw/zinc/38/01/68/967380168.db2.gz DSPZRXVGUKUHHC-GXFFZTMASA-N 1 3 236.334 2.161 20 0 BEADHO C[C@@]1([NH3+])CCCN(CCOc2ccccc2)CC1 ZINC001205255838 967445758 /nfs/dbraw/zinc/44/57/58/967445758.db2.gz LRVQPSSDGDHPBI-OAHLLOKOSA-N 1 3 248.370 2.269 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCCOC1)N1CCCCC1 ZINC001205391966 967617068 /nfs/dbraw/zinc/61/70/68/967617068.db2.gz XXESBNMUZGWNEF-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](CCN[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001205391966 967617074 /nfs/dbraw/zinc/61/70/74/967617074.db2.gz XXESBNMUZGWNEF-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCC(C)(C)C ZINC001205902202 967873438 /nfs/dbraw/zinc/87/34/38/967873438.db2.gz IPVCJWQKXORWNY-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCC(C)(C)C ZINC001205902202 967873441 /nfs/dbraw/zinc/87/34/41/967873441.db2.gz IPVCJWQKXORWNY-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901803 967877559 /nfs/dbraw/zinc/87/75/59/967877559.db2.gz GJODZEHNHGRGSI-QKGCVVFFSA-N 1 3 234.387 2.258 20 0 BEADHO C[C@@H]1[C@H](CN)CCC[N@H+]1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001205901803 967877562 /nfs/dbraw/zinc/87/75/62/967877562.db2.gz GJODZEHNHGRGSI-QKGCVVFFSA-N 1 3 234.387 2.258 20 0 BEADHO [NH3+][C@@H]1CCN(c2ccncc2-c2ccccc2)C1 ZINC001164281618 968209970 /nfs/dbraw/zinc/20/99/70/968209970.db2.gz INTQEILGRWUSKM-CYBMUJFWSA-N 1 3 239.322 2.286 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@@H](C)Cc1ccccc1F ZINC001331820919 968245331 /nfs/dbraw/zinc/24/53/31/968245331.db2.gz KMUBDWGWYYVBDS-RYUDHWBXSA-N 1 3 238.350 2.344 20 0 BEADHO CCCC[C@H](O)CNCCC[N@H+](C)CCCC ZINC001252108953 968592001 /nfs/dbraw/zinc/59/20/01/968592001.db2.gz UDUQUVIKASKVDV-AWEZNQCLSA-N 1 3 244.423 2.249 20 0 BEADHO CCCC[C@H](O)CNCCC[N@@H+](C)CCCC ZINC001252108953 968592012 /nfs/dbraw/zinc/59/20/12/968592012.db2.gz UDUQUVIKASKVDV-AWEZNQCLSA-N 1 3 244.423 2.249 20 0 BEADHO CCCC[C@H](O)C[NH2+]CCCN(C)CCCC ZINC001252108953 968592022 /nfs/dbraw/zinc/59/20/22/968592022.db2.gz UDUQUVIKASKVDV-AWEZNQCLSA-N 1 3 244.423 2.249 20 0 BEADHO C[NH+](C)CC(C)(C)CN1CCCOC(C)(C)C1 ZINC001207287139 968716573 /nfs/dbraw/zinc/71/65/73/968716573.db2.gz YEUNGRYBRGBPIS-UHFFFAOYSA-N 1 3 242.407 2.075 20 0 BEADHO CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001207836123 968895172 /nfs/dbraw/zinc/89/51/72/968895172.db2.gz GUTOINZQDWKYHI-XDQVBPFNSA-N 1 3 224.392 2.495 20 0 BEADHO CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001207836117 968896627 /nfs/dbraw/zinc/89/66/27/968896627.db2.gz GUTOINZQDWKYHI-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO CN1CCC=C(c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001241569476 969063617 /nfs/dbraw/zinc/06/36/17/969063617.db2.gz BAGTVSIJLABLHD-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO CS[C@H](C)CCN1CCC([NH+]2CCC2)CC1 ZINC001208153121 969079641 /nfs/dbraw/zinc/07/96/41/969079641.db2.gz XMXPYVOSYJAGIH-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@@H](C)CCN1CCC([NH+]2CCC2)CC1 ZINC001208153122 969081394 /nfs/dbraw/zinc/08/13/94/969081394.db2.gz XMXPYVOSYJAGIH-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO CC[NH+]1CCC(CN(C)Cc2cccnc2)CC1 ZINC001208594333 969150384 /nfs/dbraw/zinc/15/03/84/969150384.db2.gz NGWCWBSCFXOJQD-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO CCCCC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253406188 969164504 /nfs/dbraw/zinc/16/45/04/969164504.db2.gz BXRGOZUMWHQRKQ-OLZOCXBDSA-N 1 3 244.423 2.294 20 0 BEADHO CCCCC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406188 969164510 /nfs/dbraw/zinc/16/45/10/969164510.db2.gz BXRGOZUMWHQRKQ-OLZOCXBDSA-N 1 3 244.423 2.294 20 0 BEADHO c1ccc(CN2CC[C@H](C[NH+]3CCC3)C2)cc1 ZINC001208947516 969313465 /nfs/dbraw/zinc/31/34/65/969313465.db2.gz LMYGICLKKTUERM-OAHLLOKOSA-N 1 3 230.355 2.214 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccsc1)C2 ZINC001169082464 969401478 /nfs/dbraw/zinc/40/14/78/969401478.db2.gz ZQCWTDUNWNSGFL-XYYAHUGASA-N 1 3 236.384 2.463 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)C2 ZINC001169081317 969405080 /nfs/dbraw/zinc/40/50/80/969405080.db2.gz QVRLKSPZVIHRDH-XVIXHAIJSA-N 1 3 240.366 2.482 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1F ZINC001169124316 969421583 /nfs/dbraw/zinc/42/15/83/969421583.db2.gz CABNHTQWGRCVKF-PEBLQZBPSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1F ZINC001169124316 969421596 /nfs/dbraw/zinc/42/15/96/969421596.db2.gz CABNHTQWGRCVKF-PEBLQZBPSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@H]1C[C@H]1C[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209433835 969504150 /nfs/dbraw/zinc/50/41/50/969504150.db2.gz VQRQYBYNZJRPJN-RYUDHWBXSA-N 1 3 222.376 2.201 20 0 BEADHO CN1CCC[C@H]([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516154 969686789 /nfs/dbraw/zinc/68/67/89/969686789.db2.gz JGJREURBUPRARP-QWHCGFSZSA-N 1 3 228.355 2.295 20 0 BEADHO CN1CCC[C@H]([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516154 969686793 /nfs/dbraw/zinc/68/67/93/969686793.db2.gz JGJREURBUPRARP-QWHCGFSZSA-N 1 3 228.355 2.295 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCN[C@H](C)CC1 ZINC001210476639 969899574 /nfs/dbraw/zinc/89/95/74/969899574.db2.gz WLVHUKFEHXARLY-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCN[C@H](C)CC1 ZINC001210476639 969899575 /nfs/dbraw/zinc/89/95/75/969899575.db2.gz WLVHUKFEHXARLY-CQSZACIVSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@H](N)c1ccn(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001255668892 970448480 /nfs/dbraw/zinc/44/84/80/970448480.db2.gz OUWSTKBOCHXQDI-FKJOKYEKSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H](N)c1ccn(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001255668892 970448489 /nfs/dbraw/zinc/44/84/89/970448489.db2.gz OUWSTKBOCHXQDI-FKJOKYEKSA-N 1 3 248.374 2.091 20 0 BEADHO COc1ccc([C@@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000302589368 970448918 /nfs/dbraw/zinc/44/89/18/970448918.db2.gz HXZIMAFGSISKOW-LLVKDONJSA-N 1 3 236.359 2.473 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001255867169 970528878 /nfs/dbraw/zinc/52/88/78/970528878.db2.gz ZPWUYBDYPNBFDA-LEWSCRJBSA-N 1 3 236.334 2.226 20 0 BEADHO C[C@@]1(C[N@@H+]2CC[C@@H](C3CC3)C2)CCCNC1 ZINC000400055904 970542564 /nfs/dbraw/zinc/54/25/64/970542564.db2.gz ZAJAARUDNBEZBL-ZIAGYGMSSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@]1(C[N@H+]2CC[C@@H](C3CC3)C2)CCCNC1 ZINC000400055904 970542573 /nfs/dbraw/zinc/54/25/73/970542573.db2.gz ZAJAARUDNBEZBL-ZIAGYGMSSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CC3CCC2CC3)CC[C@H]1N ZINC000400098109 970549054 /nfs/dbraw/zinc/54/90/54/970549054.db2.gz FFSDZUGPNASAHM-BZTHDZJNSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CC[C@H]1N ZINC000400098109 970549064 /nfs/dbraw/zinc/54/90/64/970549064.db2.gz FFSDZUGPNASAHM-BZTHDZJNSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CC3CCC2CC3)CC[C@@H]1N ZINC000400098116 970551700 /nfs/dbraw/zinc/55/17/00/970551700.db2.gz FFSDZUGPNASAHM-UWMJVVDFSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CC3CCC2CC3)CC[C@@H]1N ZINC000400098116 970551706 /nfs/dbraw/zinc/55/17/06/970551706.db2.gz FFSDZUGPNASAHM-UWMJVVDFSA-N 1 3 236.403 2.482 20 0 BEADHO CN[C@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138108 970554948 /nfs/dbraw/zinc/55/49/48/970554948.db2.gz YUCYAQHPUGPFSG-PQAZSJQKSA-N 1 3 222.376 2.106 20 0 BEADHO CN[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138108 970554957 /nfs/dbraw/zinc/55/49/57/970554957.db2.gz YUCYAQHPUGPFSG-PQAZSJQKSA-N 1 3 222.376 2.106 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138106 970556536 /nfs/dbraw/zinc/55/65/36/970556536.db2.gz YUCYAQHPUGPFSG-NWINJMCUSA-N 1 3 222.376 2.106 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400138106 970556541 /nfs/dbraw/zinc/55/65/41/970556541.db2.gz YUCYAQHPUGPFSG-NWINJMCUSA-N 1 3 222.376 2.106 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1CCO[C@H](CC)C1 ZINC001170172492 970567375 /nfs/dbraw/zinc/56/73/75/970567375.db2.gz ZQBJNKWRRPRBPD-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1CCO[C@H](CC)C1 ZINC001170172492 970567389 /nfs/dbraw/zinc/56/73/89/970567389.db2.gz ZQBJNKWRRPRBPD-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)C ZINC001255940030 970571467 /nfs/dbraw/zinc/57/14/67/970571467.db2.gz LTZRMYMESYWREM-NSHDSACASA-N 1 3 200.370 2.495 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCOCC1 ZINC001255940577 970572113 /nfs/dbraw/zinc/57/21/13/970572113.db2.gz DQOQJCBYLMGWFL-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC001255941340 970573638 /nfs/dbraw/zinc/57/36/38/970573638.db2.gz ORTFRKBXGWYEJJ-UONOGXRCSA-N 1 3 244.423 2.103 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@@H](CO)CC(C)C ZINC001255941340 970573645 /nfs/dbraw/zinc/57/36/45/970573645.db2.gz ORTFRKBXGWYEJJ-UONOGXRCSA-N 1 3 244.423 2.103 20 0 BEADHO C[C@H](Cc1cccnc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246578828 972902767 /nfs/dbraw/zinc/90/27/67/972902767.db2.gz AABVNKHNDCWUBV-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246578828 972902779 /nfs/dbraw/zinc/90/27/79/972902779.db2.gz AABVNKHNDCWUBV-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1cccnc1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246578828 972902789 /nfs/dbraw/zinc/90/27/89/972902789.db2.gz AABVNKHNDCWUBV-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001246589586 972987374 /nfs/dbraw/zinc/98/73/74/972987374.db2.gz SSIDMUYCUBALBU-IWSPIJDZSA-N 1 3 242.260 2.089 20 0 BEADHO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001246589586 972987385 /nfs/dbraw/zinc/98/73/85/972987385.db2.gz SSIDMUYCUBALBU-IWSPIJDZSA-N 1 3 242.260 2.089 20 0 BEADHO C[NH2+]CC1CN([C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001246594795 973004700 /nfs/dbraw/zinc/00/47/00/973004700.db2.gz FGMMXBHXCDJCLU-DGCLKSJQSA-N 1 3 224.392 2.352 20 0 BEADHO C1[C@@H]2C[C@@H]([N@@H+]3CCC[C@]34CCCNC4)C[C@H]12 ZINC001246605920 973023274 /nfs/dbraw/zinc/02/32/74/973023274.db2.gz CZAMZKQOJJLUEE-CRWXNKLISA-N 1 3 220.360 2.003 20 0 BEADHO C1[C@@H]2C[C@@H]([N@H+]3CCC[C@]34CCCNC4)C[C@H]12 ZINC001246605920 973023287 /nfs/dbraw/zinc/02/32/87/973023287.db2.gz CZAMZKQOJJLUEE-CRWXNKLISA-N 1 3 220.360 2.003 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654537 973067143 /nfs/dbraw/zinc/06/71/43/973067143.db2.gz ICSDDTWLEVWPPT-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CN1 ZINC001246654537 973067157 /nfs/dbraw/zinc/06/71/57/973067157.db2.gz ICSDDTWLEVWPPT-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CCCC3(CNC3)C2)C[C@@H](C)C1 ZINC001246794275 973098150 /nfs/dbraw/zinc/09/81/50/973098150.db2.gz ZMEGEUCAROVEQS-WDNDVIMCSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CCCC3(CNC3)C2)C[C@@H](C)C1 ZINC001246794275 973098168 /nfs/dbraw/zinc/09/81/68/973098168.db2.gz ZMEGEUCAROVEQS-WDNDVIMCSA-N 1 3 236.403 2.497 20 0 BEADHO C1=C[C@@H]2CC[C@H]1C[C@H]2[NH2+]CCCN1CCCC1 ZINC001332834037 1169968787 /nfs/dbraw/zinc/96/87/87/1169968787.db2.gz QREPHXIJYQSJKS-RRFJBIMHSA-N 1 3 234.387 2.417 20 0 BEADHO CN1C(C)(C)CC([NH2+][C@@H]2CCOC2)CC1(C)C ZINC001171614349 974115589 /nfs/dbraw/zinc/11/55/89/974115589.db2.gz YDHPZNJTNMJQOA-LLVKDONJSA-N 1 3 240.391 2.016 20 0 BEADHO Cn1cccc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172101450 974330083 /nfs/dbraw/zinc/33/00/83/974330083.db2.gz YIQBFGYPKAJADH-ZSOGYDGISA-N 1 3 247.386 2.130 20 0 BEADHO Cn1cccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101450 974330092 /nfs/dbraw/zinc/33/00/92/974330092.db2.gz YIQBFGYPKAJADH-ZSOGYDGISA-N 1 3 247.386 2.130 20 0 BEADHO Cn1cccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101450 974330098 /nfs/dbraw/zinc/33/00/98/974330098.db2.gz YIQBFGYPKAJADH-ZSOGYDGISA-N 1 3 247.386 2.130 20 0 BEADHO CC(C)OCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100101 974344053 /nfs/dbraw/zinc/34/40/53/974344053.db2.gz MVWMFCYCGMICQF-ZSOGYDGISA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100101 974344058 /nfs/dbraw/zinc/34/40/58/974344058.db2.gz MVWMFCYCGMICQF-ZSOGYDGISA-N 1 3 240.391 2.016 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC(F)(F)C1)C2 ZINC001172099709 974347355 /nfs/dbraw/zinc/34/73/55/974347355.db2.gz MZDBRYBHXJEXNJ-YHPBZONMSA-N 1 3 244.329 2.389 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CC(F)(F)C1)C2 ZINC001172099709 974347360 /nfs/dbraw/zinc/34/73/60/974347360.db2.gz MZDBRYBHXJEXNJ-YHPBZONMSA-N 1 3 244.329 2.389 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H]1CF)C2 ZINC001172130196 974356765 /nfs/dbraw/zinc/35/67/65/974356765.db2.gz HQPRPJSYWLKMLY-XJFOESAGSA-N 1 3 240.366 2.436 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H]1CF)C2 ZINC001172130196 974356772 /nfs/dbraw/zinc/35/67/72/974356772.db2.gz HQPRPJSYWLKMLY-XJFOESAGSA-N 1 3 240.366 2.436 20 0 BEADHO CC(C)OCC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001172434952 974745277 /nfs/dbraw/zinc/74/52/77/974745277.db2.gz WCZNMJNNONNWJH-CYBMUJFWSA-N 1 3 230.396 2.249 20 0 BEADHO CC(C)OCC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001172434952 974745273 /nfs/dbraw/zinc/74/52/73/974745273.db2.gz WCZNMJNNONNWJH-CYBMUJFWSA-N 1 3 230.396 2.249 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@H]2C1 ZINC001204089635 974877843 /nfs/dbraw/zinc/87/78/43/974877843.db2.gz PUGZMSHURQBHBW-AJNGGQMLSA-N 1 3 234.387 2.273 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001204089636 974878599 /nfs/dbraw/zinc/87/85/99/974878599.db2.gz PUGZMSHURQBHBW-BARDWOONSA-N 1 3 234.387 2.273 20 0 BEADHO CC(C)(C[NH3+])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172708485 974924832 /nfs/dbraw/zinc/92/48/32/974924832.db2.gz HBSYYKWUZUKCIK-GFCCVEGCSA-N 1 3 238.762 2.134 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)CSCC ZINC001173292873 975171085 /nfs/dbraw/zinc/17/10/85/975171085.db2.gz SHRNVCNJNKFZHT-LLVKDONJSA-N 1 3 218.410 2.189 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)CSCC ZINC001173292873 975171090 /nfs/dbraw/zinc/17/10/90/975171090.db2.gz SHRNVCNJNKFZHT-LLVKDONJSA-N 1 3 218.410 2.189 20 0 BEADHO CCCN(CCC[NH3+])[C@H](C)CSCC ZINC001173292873 975171097 /nfs/dbraw/zinc/17/10/97/975171097.db2.gz SHRNVCNJNKFZHT-LLVKDONJSA-N 1 3 218.410 2.189 20 0 BEADHO CCSC[C@H](C)N1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001173307680 975218098 /nfs/dbraw/zinc/21/80/98/975218098.db2.gz IRLUJQRTHQEAAV-AVGNSLFASA-N 1 3 242.432 2.012 20 0 BEADHO CN(C)Cc1ccccc1O[C@H]1CCC[N@H+](C)C1 ZINC001229699276 976948608 /nfs/dbraw/zinc/94/86/08/976948608.db2.gz MIJKMXOPJICLCI-AWEZNQCLSA-N 1 3 248.370 2.221 20 0 BEADHO CN(C)Cc1ccccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001229699276 976948617 /nfs/dbraw/zinc/94/86/17/976948617.db2.gz MIJKMXOPJICLCI-AWEZNQCLSA-N 1 3 248.370 2.221 20 0 BEADHO CC[N@@H+]1CC[C@H](Oc2ccccc2CN(C)C)C1 ZINC001229699990 976950778 /nfs/dbraw/zinc/95/07/78/976950778.db2.gz UJRNYRJWGOBWDG-AWEZNQCLSA-N 1 3 248.370 2.221 20 0 BEADHO CC[N@H+]1CC[C@H](Oc2ccccc2CN(C)C)C1 ZINC001229699990 976950783 /nfs/dbraw/zinc/95/07/83/976950783.db2.gz UJRNYRJWGOBWDG-AWEZNQCLSA-N 1 3 248.370 2.221 20 0 BEADHO CN1CCC=C(Nc2ccccc2C[NH+](C)C)C1 ZINC001175580648 977604906 /nfs/dbraw/zinc/60/49/06/977604906.db2.gz OQHABKNPFPNOKF-UHFFFAOYSA-N 1 3 245.370 2.380 20 0 BEADHO C[C@@H]1CC[N@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232011415 977838907 /nfs/dbraw/zinc/83/89/07/977838907.db2.gz JYWFNZXNLLYQLB-SNVBAGLBSA-N 1 3 215.300 2.405 20 0 BEADHO C[C@@H]1CC[N@@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232011415 977838912 /nfs/dbraw/zinc/83/89/12/977838912.db2.gz JYWFNZXNLLYQLB-SNVBAGLBSA-N 1 3 215.300 2.405 20 0 BEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccncc1 ZINC001336908701 978050079 /nfs/dbraw/zinc/05/00/79/978050079.db2.gz GVRINRUBFFVBER-TZMCWYRMSA-N 1 3 231.343 2.145 20 0 BEADHO c1c[nH]c(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235230600 978999412 /nfs/dbraw/zinc/99/94/12/978999412.db2.gz PZNZHWOLEXCSQS-OAHLLOKOSA-N 1 3 247.386 2.369 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235404153 979038844 /nfs/dbraw/zinc/03/88/44/979038844.db2.gz MTHQUWHGGKRQOU-KGLIPLIRSA-N 1 3 242.382 2.446 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235404153 979038847 /nfs/dbraw/zinc/03/88/47/979038847.db2.gz MTHQUWHGGKRQOU-KGLIPLIRSA-N 1 3 242.382 2.446 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235410501 979039954 /nfs/dbraw/zinc/03/99/54/979039954.db2.gz YGCVCCVTOMHDNB-UONOGXRCSA-N 1 3 242.382 2.446 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235410501 979039959 /nfs/dbraw/zinc/03/99/59/979039959.db2.gz YGCVCCVTOMHDNB-UONOGXRCSA-N 1 3 242.382 2.446 20 0 BEADHO Cc1cccc(CC[N@H+]2C[C@H](N)C[C@H](C)C2)c1 ZINC001236044581 979339379 /nfs/dbraw/zinc/33/93/79/979339379.db2.gz OLRMKALKCOACIG-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1cccc(CC[N@@H+]2C[C@H](N)C[C@H](C)C2)c1 ZINC001236044581 979339391 /nfs/dbraw/zinc/33/93/91/979339391.db2.gz OLRMKALKCOACIG-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236061530 979351230 /nfs/dbraw/zinc/35/12/30/979351230.db2.gz ZJAAJUIQGVXUNR-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236061530 979351238 /nfs/dbraw/zinc/35/12/38/979351238.db2.gz ZJAAJUIQGVXUNR-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CNc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)cc1 ZINC001236218339 979451675 /nfs/dbraw/zinc/45/16/75/979451675.db2.gz SDEVTIORHRFACZ-LSDHHAIUSA-N 1 3 247.386 2.430 20 0 BEADHO CNc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)cc1 ZINC001236218339 979451683 /nfs/dbraw/zinc/45/16/83/979451683.db2.gz SDEVTIORHRFACZ-LSDHHAIUSA-N 1 3 247.386 2.430 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCNCC[C@@H]2C)c1 ZINC000085622241 979524478 /nfs/dbraw/zinc/52/44/78/979524478.db2.gz WQWHVXXTMISHCS-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCNCC[C@@H]2C)c1 ZINC000085622241 979524491 /nfs/dbraw/zinc/52/44/91/979524491.db2.gz WQWHVXXTMISHCS-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO CC1=C[C@H](C)[C@H](CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236411151 979588334 /nfs/dbraw/zinc/58/83/34/979588334.db2.gz NAWMFYRYEWIQCV-BTFPBAQTSA-N 1 3 234.387 2.128 20 0 BEADHO C[C@@]1([NH3+])CCCN(Cc2ccc(O)cc2)CC1 ZINC001205263701 979806474 /nfs/dbraw/zinc/80/64/74/979806474.db2.gz BPVMXRPYUVPUFF-CQSZACIVSA-N 1 3 234.343 2.096 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184386311 980057576 /nfs/dbraw/zinc/05/75/76/980057576.db2.gz BRKGZNJAWKPDFQ-QSLWVIQJSA-N 1 3 224.392 2.351 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC001184419313 980080845 /nfs/dbraw/zinc/08/08/45/980080845.db2.gz ZLTPHWPRJQRJFK-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO c1cnc(C2=CC[NH2+]CC2)c(CN2CCCC2)c1 ZINC001240466753 981398150 /nfs/dbraw/zinc/39/81/50/981398150.db2.gz UIAXWYPWBGUCJT-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001203314933 982670681 /nfs/dbraw/zinc/67/06/81/982670681.db2.gz RKULPNCTOBCYJE-UHFFFAOYSA-N 1 3 230.355 2.214 20 0 BEADHO CN1CCC=C(c2cccc3c2CC[NH2+]C3)C1 ZINC001241569973 982818392 /nfs/dbraw/zinc/81/83/92/982818392.db2.gz BUEKBKQTARPOLU-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO CN1CCC=C(c2cccc3c2C[NH2+]CC3)C1 ZINC001241570458 982818779 /nfs/dbraw/zinc/81/87/79/982818779.db2.gz HZNUXFACISQDJT-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO c1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccn1 ZINC001354032515 983120760 /nfs/dbraw/zinc/12/07/60/983120760.db2.gz XBTBIXVPTOXBRJ-HNNXBMFYSA-N 1 3 245.370 2.322 20 0 BEADHO c1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)ccn1 ZINC001354032515 983120762 /nfs/dbraw/zinc/12/07/62/983120762.db2.gz XBTBIXVPTOXBRJ-HNNXBMFYSA-N 1 3 245.370 2.322 20 0 BEADHO CN(C)c1ccnc(-c2ccc(C[NH3+])cc2)c1 ZINC001241911235 983125539 /nfs/dbraw/zinc/12/55/39/983125539.db2.gz JAPDWEHAPIJLLU-UHFFFAOYSA-N 1 3 227.311 2.273 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001201630298 983357102 /nfs/dbraw/zinc/35/71/02/983357102.db2.gz OUUSKBSFLUOSCE-OKILXGFUSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001201630298 983357112 /nfs/dbraw/zinc/35/71/12/983357112.db2.gz OUUSKBSFLUOSCE-OKILXGFUSA-N 1 3 224.392 2.306 20 0 BEADHO CN1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001202096763 983557651 /nfs/dbraw/zinc/55/76/51/983557651.db2.gz RJRJSEIGWYOXHB-UHFFFAOYSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)C1CCC1 ZINC001561053069 984013850 /nfs/dbraw/zinc/01/38/50/984013850.db2.gz RYVQAQGYUXEUHI-IGHBBLSQSA-N 1 3 222.376 2.105 20 0 BEADHO CC[NH2+][C@H](C)CNCC1(CCCOC)CCC1 ZINC001577887198 984201006 /nfs/dbraw/zinc/20/10/06/984201006.db2.gz SIIAJQYCNBABNS-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO NCC1(C[NH2+]CC[C@H]2CCC(F)(F)C2)CC1 ZINC001580244109 984468502 /nfs/dbraw/zinc/46/85/02/984468502.db2.gz POTGPGOAWNYREW-SNVBAGLBSA-N 1 3 232.318 2.140 20 0 BEADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccco1)CC2 ZINC001275235692 984525064 /nfs/dbraw/zinc/52/50/64/984525064.db2.gz YGBPDGSMELAFBG-UHFFFAOYSA-N 1 3 234.343 2.197 20 0 BEADHO C[N@H+]1CCC2(C1)CCN(Cc1ccco1)CC2 ZINC001275235692 984525074 /nfs/dbraw/zinc/52/50/74/984525074.db2.gz YGBPDGSMELAFBG-UHFFFAOYSA-N 1 3 234.343 2.197 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC001580423470 984535308 /nfs/dbraw/zinc/53/53/08/984535308.db2.gz ZYFXFHFRLAGJTJ-QSLWVIQJSA-N 1 3 222.376 2.425 20 0 BEADHO CC(C)[NH2+]CCNC1C[C@H](C)C[C@@H](C)C1 ZINC000719345228 984630812 /nfs/dbraw/zinc/63/08/12/984630812.db2.gz HKHXUZSARKWJPA-VXGBXAGGSA-N 1 3 212.381 2.399 20 0 BEADHO CO[C@@](C)(CN1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC001578897013 985467415 /nfs/dbraw/zinc/46/74/15/985467415.db2.gz HVOXVDSLPDWEOV-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO CN(C)Cc1ccnc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243894806 985573009 /nfs/dbraw/zinc/57/30/09/985573009.db2.gz QCQAJGIIXSWZNO-ONEGZZNKSA-N 1 3 245.370 2.156 20 0 BEADHO C[C@@H]([NH3+])c1ccccc1C1=CNCCC1 ZINC001243954802 985666947 /nfs/dbraw/zinc/66/69/47/985666947.db2.gz YXXSVSYIIYFDPO-SNVBAGLBSA-N 1 3 202.301 2.431 20 0 BEADHO C[C@H](CC1CC1)[NH+]1CCN(c2ccncc2)CC1 ZINC001258458296 985906083 /nfs/dbraw/zinc/90/60/83/985906083.db2.gz RZFHUULUVAGQOB-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H](CC1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001258458296 985906091 /nfs/dbraw/zinc/90/60/91/985906091.db2.gz RZFHUULUVAGQOB-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CC3CC3)C[C@@H]2C1 ZINC001258471340 985939905 /nfs/dbraw/zinc/93/99/05/985939905.db2.gz ZERXJVPKXWGKGA-YUELXQCFSA-N 1 3 236.403 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CC3CC3)C[C@@H]2C1 ZINC001258471340 985939921 /nfs/dbraw/zinc/93/99/21/985939921.db2.gz ZERXJVPKXWGKGA-YUELXQCFSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](CC1CC1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258474402 985944610 /nfs/dbraw/zinc/94/46/10/985944610.db2.gz TYZCILWVTHJAEN-GFCCVEGCSA-N 1 3 222.376 2.203 20 0 BEADHO Cc1ccc(CC2CN(CC(C)(C)C[NH3+])C2)cc1 ZINC001579684545 986178672 /nfs/dbraw/zinc/17/86/72/986178672.db2.gz IXXXWBNAUHAFOD-UHFFFAOYSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1sccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC001579937063 986357374 /nfs/dbraw/zinc/35/73/74/986357374.db2.gz IVNAPSHNCQIMEG-VXGBXAGGSA-N 1 3 224.373 2.416 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)[C@H]2C1 ZINC001462674645 986506925 /nfs/dbraw/zinc/50/69/25/986506925.db2.gz YXXHIYMLCXKQJR-NPJQDHAYSA-N 1 3 248.414 2.495 20 0 BEADHO CC[NH+]1CCC(NC/C=C\C2CC2)CC1 ZINC000378847499 986616848 /nfs/dbraw/zinc/61/68/48/986616848.db2.gz AWXWYHXBWYGLET-ARJAWSKDSA-N 1 3 208.349 2.027 20 0 BEADHO [NH3+][C@@]12CCC[C@H]1CN(CC1CC3(CCC3)C1)C2 ZINC001580158559 986629736 /nfs/dbraw/zinc/62/97/36/986629736.db2.gz SUKBRYOTICYQAQ-DZGCQCFKSA-N 1 3 234.387 2.380 20 0 BEADHO C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1F ZINC001256621942 987250815 /nfs/dbraw/zinc/25/08/15/987250815.db2.gz CABNHTQWGRCVKF-SYCZCVCYSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1F ZINC001256621942 987250822 /nfs/dbraw/zinc/25/08/22/987250822.db2.gz CABNHTQWGRCVKF-SYCZCVCYSA-N 1 3 240.366 2.292 20 0 BEADHO C[C@@H]1[C@H](C)SCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000697058712 987348216 /nfs/dbraw/zinc/34/82/16/987348216.db2.gz TYRWPJPVOHUGDB-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO NC1(C[NH2+][C@@H]2Cc3cccc(F)c3C2)CCCC1 ZINC001246075073 987364001 /nfs/dbraw/zinc/36/40/01/987364001.db2.gz HBMNTXFEXPLXML-GFCCVEGCSA-N 1 3 248.345 2.154 20 0 BEADHO C[C@@H]1CC[C@@H](CN[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)[NH2+]C1 ZINC001246102749 987428085 /nfs/dbraw/zinc/42/80/85/987428085.db2.gz FIBOXGMJDLBSFE-ITGHMWBKSA-N 1 3 236.403 2.399 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH2+][C@H]1CNC[C@@H]1C ZINC001246105677 987433412 /nfs/dbraw/zinc/43/34/12/987433412.db2.gz BZPHTLXVGIGPLH-VOAKCMCISA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H]1CC[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246104962 987434399 /nfs/dbraw/zinc/43/43/99/987434399.db2.gz KZAGOGYIDFBJGB-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)COCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116014 987454345 /nfs/dbraw/zinc/45/43/45/987454345.db2.gz CZHQDIYWQGAGFJ-MGPQQGTHSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC001246117185 987458915 /nfs/dbraw/zinc/45/89/15/987458915.db2.gz OJRMLVOIYNRJNN-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@@H]2CNCC23CC3)C[C@@H](C)C1 ZINC001246127978 987475294 /nfs/dbraw/zinc/47/52/94/987475294.db2.gz CZPLZYZJSZICFV-MROQNXINSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246127893 987479320 /nfs/dbraw/zinc/47/93/20/987479320.db2.gz CMIUNLFFJBWNMI-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](CC(C)C)[NH2+][C@@H]1CNCC12CC2 ZINC001246132905 987482346 /nfs/dbraw/zinc/48/23/46/987482346.db2.gz NGDGHAAUPZMWDP-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO CCC1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246136424 987493110 /nfs/dbraw/zinc/49/31/10/987493110.db2.gz XBARPTOHZKKYQJ-WXRRBKDZSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC[C@@H](CCC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246135959 987495602 /nfs/dbraw/zinc/49/56/02/987495602.db2.gz SZLARAMIKLBHFX-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO CCCCCC[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150592 987509294 /nfs/dbraw/zinc/50/92/94/987509294.db2.gz WBSALCSDINHQST-RVMXOQNASA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCN[C@@H](C)C2)s1 ZINC001246167109 987526058 /nfs/dbraw/zinc/52/60/58/987526058.db2.gz CQPHSZFBPKWITB-JQWIXIFHSA-N 1 3 238.400 2.329 20 0 BEADHO CC(C)C1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC001246191621 987577577 /nfs/dbraw/zinc/57/75/77/987577577.db2.gz WTCWKBFHLHNFJS-FLWUZPLOSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)C([NH2+][C@H]1CCN[C@H](C)C1)C(C)C ZINC001246237569 987635091 /nfs/dbraw/zinc/63/50/91/987635091.db2.gz PDQAQZMPOJCSAW-NEPJUHHUSA-N 1 3 212.381 2.397 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CN)C[C@H]1C ZINC001246243444 987645087 /nfs/dbraw/zinc/64/50/87/987645087.db2.gz GKEFDWYGYPYNCF-UTUOFQBUSA-N 1 3 212.381 2.386 20 0 BEADHO Cc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)CN)CC2 ZINC001246242282 987645771 /nfs/dbraw/zinc/64/57/71/987645771.db2.gz CQOOJSZQFADRIL-HNNXBMFYSA-N 1 3 246.398 2.427 20 0 BEADHO CCC1([NH2+][C@@H]2CN[C@H](C)C2)CCCCC1 ZINC001246253239 987652365 /nfs/dbraw/zinc/65/23/65/987652365.db2.gz DDLJPYKBZYOWQK-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246263629 987659553 /nfs/dbraw/zinc/65/95/53/987659553.db2.gz KHETVUGRBYWJAI-CYUUQNCZSA-N 1 3 230.355 2.273 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1cccc(F)c1 ZINC001246312081 987712191 /nfs/dbraw/zinc/71/21/91/987712191.db2.gz FMTMYPLYEAMTAA-ZWNOBZJWSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)CCN1 ZINC001246332555 987737996 /nfs/dbraw/zinc/73/79/96/987737996.db2.gz NHYSUHWANAFJHT-HIFRSBDPSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@@H]1C[C@@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246332555 987737999 /nfs/dbraw/zinc/73/79/99/987737999.db2.gz NHYSUHWANAFJHT-HIFRSBDPSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CCCCCCCCO)CCN1 ZINC001246340595 987748647 /nfs/dbraw/zinc/74/86/47/987748647.db2.gz IWBZJKRDZQPOMG-UONOGXRCSA-N 1 3 242.407 2.049 20 0 BEADHO C[C@@H](Cc1cccc(O)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246344726 987751979 /nfs/dbraw/zinc/75/19/79/987751979.db2.gz COOIRAMZKGZUFT-MBNYWOFBSA-N 1 3 248.370 2.053 20 0 BEADHO C[C@@H](Cc1cccc(O)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246344723 987753908 /nfs/dbraw/zinc/75/39/08/987753908.db2.gz COOIRAMZKGZUFT-DYEKYZERSA-N 1 3 248.370 2.053 20 0 BEADHO C[C@@H]1CC[C@H](NCCCCCCCCO)C[NH2+]1 ZINC001246345046 987753948 /nfs/dbraw/zinc/75/39/48/987753948.db2.gz VACOVGSNOTYDHN-KGLIPLIRSA-N 1 3 242.407 2.049 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246358625 987766992 /nfs/dbraw/zinc/76/69/92/987766992.db2.gz GAZAVGXSJNBHAV-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C(N[C@H]1CCC[NH2+]C1)C1(CC2CCC2)CC1 ZINC001246376129 987775988 /nfs/dbraw/zinc/77/59/88/987775988.db2.gz LXGLTVWWYVVGFN-ZDUSSCGKSA-N 1 3 222.376 2.298 20 0 BEADHO CCCC1(N[C@@H]2CCCC[NH2+]C2)CCC1 ZINC001246384896 987779088 /nfs/dbraw/zinc/77/90/88/987779088.db2.gz LYRQRZMOIHAPKI-GFCCVEGCSA-N 1 3 210.365 2.441 20 0 BEADHO CCCC1(N[C@H]2CCCC[NH2+]C2)CCC1 ZINC001246384897 987781105 /nfs/dbraw/zinc/78/11/05/987781105.db2.gz LYRQRZMOIHAPKI-LBPRGKRZSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CCN1 ZINC001246421634 987793589 /nfs/dbraw/zinc/79/35/89/987793589.db2.gz SGSGQUMGIHZLLZ-VHDGCEQUSA-N 1 3 244.382 2.447 20 0 BEADHO C[C@@H]1CC[C@@H](NCC2(CC3CC3)CC2)C[NH2+]1 ZINC001246429662 987796751 /nfs/dbraw/zinc/79/67/51/987796751.db2.gz CGQMDKXYECRAEE-DGCLKSJQSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CC12CNC2 ZINC001246441863 987797816 /nfs/dbraw/zinc/79/78/16/987797816.db2.gz AITOVKBEOBNRHF-ZDUSSCGKSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CCNC1)C2(C)C ZINC001246442487 987799750 /nfs/dbraw/zinc/79/97/50/987799750.db2.gz JKMCTLAEGZNIFT-JZRPKSSGSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]1C[C@H](NC(C)(C)Cc2ccccn2)CC[NH2+]1 ZINC001246432847 987800673 /nfs/dbraw/zinc/80/06/73/987800673.db2.gz IDRFBNURGBYYEM-CHWSQXEVSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccn2)CCN1 ZINC001246432847 987800676 /nfs/dbraw/zinc/80/06/76/987800676.db2.gz IDRFBNURGBYYEM-CHWSQXEVSA-N 1 3 247.386 2.133 20 0 BEADHO FC(F)(F)C1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246444263 987801824 /nfs/dbraw/zinc/80/18/24/987801824.db2.gz JNIMCBIABUUDAG-UDNWOFFPSA-N 1 3 248.292 2.059 20 0 BEADHO FC(F)(F)C1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246444263 987801826 /nfs/dbraw/zinc/80/18/26/987801826.db2.gz JNIMCBIABUUDAG-UDNWOFFPSA-N 1 3 248.292 2.059 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC12CNC2 ZINC001246445291 987803936 /nfs/dbraw/zinc/80/39/36/987803936.db2.gz NSVMTLAYDUHRQA-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C1[C@H]([NH2+]C2CCCCCCC2)C12CNC2 ZINC001246448389 987805314 /nfs/dbraw/zinc/80/53/14/987805314.db2.gz YHHBZAIDYCRUCQ-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001246458779 987815401 /nfs/dbraw/zinc/81/54/01/987815401.db2.gz BYRFDXKJAYGSAP-BZUAXINKSA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@H](N[C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001246458779 987815406 /nfs/dbraw/zinc/81/54/06/987815406.db2.gz BYRFDXKJAYGSAP-BZUAXINKSA-N 1 3 244.382 2.192 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001246462410 987823084 /nfs/dbraw/zinc/82/30/84/987823084.db2.gz RIPNTSIDBGPMJM-SRVKXCTJSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CC[C@@H](C)N[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246497073 987854178 /nfs/dbraw/zinc/85/41/78/987854178.db2.gz NZPVIIXVTNZTJC-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](NC)C1 ZINC001246496363 987850178 /nfs/dbraw/zinc/85/01/78/987850178.db2.gz MYALZVZRYRYQRQ-KFWWJZLASA-N 1 3 232.371 2.348 20 0 BEADHO CC[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]C)C1 ZINC001246496363 987850180 /nfs/dbraw/zinc/85/01/80/987850180.db2.gz MYALZVZRYRYQRQ-KFWWJZLASA-N 1 3 232.371 2.348 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC001246497777 987852231 /nfs/dbraw/zinc/85/22/31/987852231.db2.gz RIPNTSIDBGPMJM-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CCC[C@@H](C)NC12CC([NH3+])(C1)C2 ZINC001246500976 987855864 /nfs/dbraw/zinc/85/58/64/987855864.db2.gz JIRZEYJIQDAQOG-PNESKVBLSA-N 1 3 210.365 2.425 20 0 BEADHO CCc1ccc(C[C@@H](C)[NH2+]C23CC(N)(C2)C3)cc1 ZINC001246500217 987857102 /nfs/dbraw/zinc/85/71/02/987857102.db2.gz GQLZOWYXVDKQNJ-UWTIGNOOSA-N 1 3 244.382 2.403 20 0 BEADHO CC1(C)CCC(N2C[C@@H]([NH3+])C3(CC3)C2)CC1 ZINC001246530823 987887158 /nfs/dbraw/zinc/88/71/58/987887158.db2.gz CDCVEEOVDUXIEO-GFCCVEGCSA-N 1 3 222.376 2.378 20 0 BEADHO [NH3+][C@@H]1CCCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001246542995 987908496 /nfs/dbraw/zinc/90/84/96/987908496.db2.gz QWZBYFANCUUZIX-CHWSQXEVSA-N 1 3 248.345 2.106 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246547746 987929842 /nfs/dbraw/zinc/92/98/42/987929842.db2.gz NBRVWLZDDNQPIM-UMSGYPCISA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246547746 987929859 /nfs/dbraw/zinc/92/98/59/987929859.db2.gz NBRVWLZDDNQPIM-UMSGYPCISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H](CC(F)(F)F)N1CCC(F)(C[NH3+])CC1 ZINC001246625927 988111295 /nfs/dbraw/zinc/11/12/95/988111295.db2.gz IOACIGVGLRJXJX-QMMMGPOBSA-N 1 3 242.260 2.090 20 0 BEADHO C[C@H](Cc1ccncc1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246590583 988170842 /nfs/dbraw/zinc/17/08/42/988170842.db2.gz HHTRHMIAFNEUCN-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccncc1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246590583 988170851 /nfs/dbraw/zinc/17/08/51/988170851.db2.gz HHTRHMIAFNEUCN-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccncc1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246590583 988170854 /nfs/dbraw/zinc/17/08/54/988170854.db2.gz HHTRHMIAFNEUCN-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO CC[C@@H](C)C[C@H](CC)N1CC(C[NH2+]C)C1 ZINC001246593130 988174919 /nfs/dbraw/zinc/17/49/19/988174919.db2.gz AGEVLKBEWZHKMB-YPMHNXCESA-N 1 3 212.381 2.352 20 0 BEADHO CCC[C@H](C)CC[C@@H](C)N1CC(C[NH3+])C1 ZINC001246594104 988190642 /nfs/dbraw/zinc/19/06/42/988190642.db2.gz JSJLJIJMPVOTKF-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@H]([NH+]2CC(C)(CN)C2)C[C@@H](C)C1 ZINC001246599693 988206831 /nfs/dbraw/zinc/20/68/31/988206831.db2.gz PWBHJUYAGIKRRD-GDNZZTSVSA-N 1 3 210.365 2.092 20 0 BEADHO CCOCC[C@@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC001246613406 988247220 /nfs/dbraw/zinc/24/72/20/988247220.db2.gz ZDXWKRBGOBWYOT-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCC[C@@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC001246613406 988247243 /nfs/dbraw/zinc/24/72/43/988247243.db2.gz ZDXWKRBGOBWYOT-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629669 988301877 /nfs/dbraw/zinc/30/18/77/988301877.db2.gz ZFUOFMZDLTUJEP-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629669 988301895 /nfs/dbraw/zinc/30/18/95/988301895.db2.gz ZFUOFMZDLTUJEP-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640477 988340698 /nfs/dbraw/zinc/34/06/98/988340698.db2.gz UONSFSKAHKTOKM-WISYIIOYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CN1 ZINC001246640477 988340715 /nfs/dbraw/zinc/34/07/15/988340715.db2.gz UONSFSKAHKTOKM-WISYIIOYSA-N 1 3 244.329 2.104 20 0 BEADHO CCCCC[C@@H](CC)N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246642865 988344594 /nfs/dbraw/zinc/34/45/94/988344594.db2.gz DROMRVAZDMTHJH-XQQFMLRXSA-N 1 3 210.365 2.378 20 0 BEADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653855 988377927 /nfs/dbraw/zinc/37/79/27/988377927.db2.gz AOGLKUOMMWXMKW-WCVJEAGWSA-N 1 3 244.382 2.287 20 0 BEADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653855 988377936 /nfs/dbraw/zinc/37/79/36/988377936.db2.gz AOGLKUOMMWXMKW-WCVJEAGWSA-N 1 3 244.382 2.287 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246657310 988383228 /nfs/dbraw/zinc/38/32/28/988383228.db2.gz LKPHPUNAQOIBGT-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246657310 988383245 /nfs/dbraw/zinc/38/32/45/988383245.db2.gz LKPHPUNAQOIBGT-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656401 988385590 /nfs/dbraw/zinc/38/55/90/988385590.db2.gz NOJKRZHMJRVRJY-KKOKHZNYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656401 988385593 /nfs/dbraw/zinc/38/55/93/988385593.db2.gz NOJKRZHMJRVRJY-KKOKHZNYSA-N 1 3 244.329 2.104 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661411 988396977 /nfs/dbraw/zinc/39/69/77/988396977.db2.gz WVMYHYMFPFBHBB-QSLWVIQJSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661411 988396991 /nfs/dbraw/zinc/39/69/91/988396991.db2.gz WVMYHYMFPFBHBB-QSLWVIQJSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246669874 988409534 /nfs/dbraw/zinc/40/95/34/988409534.db2.gz CFOHPPNMUVQRHY-IHRRRGAJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@H](C)[N@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001246669874 988409540 /nfs/dbraw/zinc/40/95/40/988409540.db2.gz CFOHPPNMUVQRHY-IHRRRGAJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246669876 988414896 /nfs/dbraw/zinc/41/48/96/988414896.db2.gz CFOHPPNMUVQRHY-MJBXVCDLSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CNCC[C@@H]21 ZINC001246669876 988414902 /nfs/dbraw/zinc/41/49/02/988414902.db2.gz CFOHPPNMUVQRHY-MJBXVCDLSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1CCCC2(CNC2)C1 ZINC001246789222 988467132 /nfs/dbraw/zinc/46/71/32/988467132.db2.gz CFXRUDAGLXEZCE-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1CCCC2(CNC2)C1 ZINC001246789222 988467142 /nfs/dbraw/zinc/46/71/42/988467142.db2.gz CFXRUDAGLXEZCE-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO C1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3)CC[C@H]2C1 ZINC001246833765 988529277 /nfs/dbraw/zinc/52/92/77/988529277.db2.gz ICLNTGGGMVODTQ-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO C1CC[C@H]2C[N@H+]([C@@H]3CCCNC3)CC[C@H]2C1 ZINC001246833765 988529283 /nfs/dbraw/zinc/52/92/83/988529283.db2.gz ICLNTGGGMVODTQ-HZSPNIEDSA-N 1 3 222.376 2.251 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246842851 988549850 /nfs/dbraw/zinc/54/98/50/988549850.db2.gz DZLBQQYOQMZFTN-MGPQQGTHSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1C[C@H]2CNCC[C@@H]2C1 ZINC001246842851 988549858 /nfs/dbraw/zinc/54/98/58/988549858.db2.gz DZLBQQYOQMZFTN-MGPQQGTHSA-N 1 3 224.392 2.352 20 0 BEADHO CCCC(CCC)[N@@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246846428 988558196 /nfs/dbraw/zinc/55/81/96/988558196.db2.gz NPDAZVZRNKDCEM-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC(CCC)[N@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246846428 988558202 /nfs/dbraw/zinc/55/82/02/988558202.db2.gz NPDAZVZRNKDCEM-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246850258 988563100 /nfs/dbraw/zinc/56/31/00/988563100.db2.gz BWOUWYNYSLOQBZ-XUXIUFHCSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246850258 988563110 /nfs/dbraw/zinc/56/31/10/988563110.db2.gz BWOUWYNYSLOQBZ-XUXIUFHCSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246851174 988568631 /nfs/dbraw/zinc/56/86/31/988568631.db2.gz YSHLPAJQSFDQCS-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246851174 988568643 /nfs/dbraw/zinc/56/86/43/988568643.db2.gz YSHLPAJQSFDQCS-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO CCCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867040 988619829 /nfs/dbraw/zinc/61/98/29/988619829.db2.gz MZVDKJSAULNGEA-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO CCCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246867040 988619839 /nfs/dbraw/zinc/61/98/39/988619839.db2.gz MZVDKJSAULNGEA-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC[C@H]([NH+]2CC3CCC(CC3)C2)CN1 ZINC001246881784 988648472 /nfs/dbraw/zinc/64/84/72/988648472.db2.gz JCNKGSVZDFHVCG-ABXWRUBCSA-N 1 3 222.376 2.249 20 0 BEADHO CCCCC[C@H](CC)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001246988938 988822510 /nfs/dbraw/zinc/82/25/10/988822510.db2.gz KWCPVCGPCPMGRN-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO Cc1cnc2ccccc2c1NC[C@H](C)[NH+](C)C ZINC001324394294 988827081 /nfs/dbraw/zinc/82/70/81/988827081.db2.gz WCWRBUCXTXCLFR-LBPRGKRZSA-N 1 3 243.354 2.327 20 0 BEADHO C[C@@H]([NH2+]C/C=C\C1CC1)[C@H]1CCCCN1 ZINC001325718141 989236830 /nfs/dbraw/zinc/23/68/30/989236830.db2.gz QJUVXGRHEOCSHH-FTGSRHIXSA-N 1 3 208.349 2.073 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CSC(C)(C)C ZINC001325743316 989247480 /nfs/dbraw/zinc/24/74/80/989247480.db2.gz LBMNBQSDHQHNJB-MNOVXSKESA-N 1 3 232.437 2.352 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@H](C)Cc1cccs1 ZINC001325744244 989247637 /nfs/dbraw/zinc/24/76/37/989247637.db2.gz RYMXUIPUDQDAFY-WDEREUQCSA-N 1 3 226.389 2.267 20 0 BEADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001325744819 989250610 /nfs/dbraw/zinc/25/06/10/989250610.db2.gz VLUVJVCFFQDBJZ-JHJVBQTASA-N 1 3 242.407 2.166 20 0 BEADHO C[C@@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCCCN1 ZINC001326473920 989572319 /nfs/dbraw/zinc/57/23/19/989572319.db2.gz QJUVXGRHEOCSHH-JLXHFUFZSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccco1 ZINC001258176455 991073040 /nfs/dbraw/zinc/07/30/40/991073040.db2.gz VYEADXLWBIEPHD-LBPRGKRZSA-N 1 3 224.348 2.270 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccco1 ZINC001258176455 991073049 /nfs/dbraw/zinc/07/30/49/991073049.db2.gz VYEADXLWBIEPHD-LBPRGKRZSA-N 1 3 224.348 2.270 20 0 BEADHO CC(C)N(CCC[NH3+])[C@@H](C)Cc1ccco1 ZINC001258176455 991073054 /nfs/dbraw/zinc/07/30/54/991073054.db2.gz VYEADXLWBIEPHD-LBPRGKRZSA-N 1 3 224.348 2.270 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)Cc1ccco1 ZINC001258176412 991076308 /nfs/dbraw/zinc/07/63/08/991076308.db2.gz UPAAOARQUZGKEL-GFCCVEGCSA-N 1 3 224.348 2.271 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)Cc1ccco1 ZINC001258176412 991076316 /nfs/dbraw/zinc/07/63/16/991076316.db2.gz UPAAOARQUZGKEL-GFCCVEGCSA-N 1 3 224.348 2.271 20 0 BEADHO CCCN(CCC[NH3+])[C@H](C)Cc1ccco1 ZINC001258176412 991076322 /nfs/dbraw/zinc/07/63/22/991076322.db2.gz UPAAOARQUZGKEL-GFCCVEGCSA-N 1 3 224.348 2.271 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)CCSC ZINC001258200853 991119548 /nfs/dbraw/zinc/11/95/48/991119548.db2.gz XSRXJXOSJVKQJS-NSHDSACASA-N 1 3 218.410 2.189 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)CCSC ZINC001258200853 991119559 /nfs/dbraw/zinc/11/95/59/991119559.db2.gz XSRXJXOSJVKQJS-NSHDSACASA-N 1 3 218.410 2.189 20 0 BEADHO CSC(C)(C)C[C@H](C)[NH2+]C[C@H](C)CN ZINC001258333936 991258836 /nfs/dbraw/zinc/25/88/36/991258836.db2.gz QISIDTPLZGASIB-ZJUUUORDSA-N 1 3 218.410 2.091 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001258335131 991259090 /nfs/dbraw/zinc/25/90/90/991259090.db2.gz XFIUVFMPDHFRIB-QWRGUYRKSA-N 1 3 232.437 2.433 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001258335131 991259100 /nfs/dbraw/zinc/25/91/00/991259100.db2.gz XFIUVFMPDHFRIB-QWRGUYRKSA-N 1 3 232.437 2.433 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001561052482 991704062 /nfs/dbraw/zinc/70/40/62/991704062.db2.gz BZENTAHWHLDEKX-UQOMUDLDSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC1(C[NH3+])CC1 ZINC001258843380 991876007 /nfs/dbraw/zinc/87/60/07/991876007.db2.gz DWKIGRLGEHPZHI-ZDUSSCGKSA-N 1 3 218.344 2.089 20 0 BEADHO C[N@@H+]1CC[C@H](NC/C=C\C2CC2)CC1(C)C ZINC001261789260 992509192 /nfs/dbraw/zinc/50/91/92/992509192.db2.gz XYVJRJNCWOSORV-ZFDPJTLLSA-N 1 3 222.376 2.415 20 0 BEADHO C[N@H+]1CC[C@H](NC/C=C\C2CC2)CC1(C)C ZINC001261789260 992509199 /nfs/dbraw/zinc/50/91/99/992509199.db2.gz XYVJRJNCWOSORV-ZFDPJTLLSA-N 1 3 222.376 2.415 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]2C1 ZINC001474757049 992522580 /nfs/dbraw/zinc/52/25/80/992522580.db2.gz OTAHFWVGBKLQIC-RWMBFGLXSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H](C[NH2+]Cc1cccn1C1CC1)CN(C)C ZINC001262031437 992619727 /nfs/dbraw/zinc/61/97/27/992619727.db2.gz RORHLAIJEIPMLD-GFCCVEGCSA-N 1 3 235.375 2.110 20 0 BEADHO [NH3+]C[C@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC001574270536 992836715 /nfs/dbraw/zinc/83/67/15/992836715.db2.gz HVBUOIHCCLVJEY-CYBMUJFWSA-N 1 3 243.354 2.339 20 0 BEADHO Cc1c[nH+]c2ccccc2c1NC[C@H]1CCN1C ZINC001262373596 992867684 /nfs/dbraw/zinc/86/76/84/992867684.db2.gz FLFQOBCFJOARPP-GFCCVEGCSA-N 1 3 241.338 2.081 20 0 BEADHO CN(C)[C@H](CNc1cc[nH+]cc1)c1ccsc1 ZINC001262671770 993014177 /nfs/dbraw/zinc/01/41/77/993014177.db2.gz SPEJRKGOTMPBBM-CYBMUJFWSA-N 1 3 247.367 2.280 20 0 BEADHO CC(C)=CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001575391076 993035254 /nfs/dbraw/zinc/03/52/54/993035254.db2.gz FSEXKPCDPSQAQQ-CQSZACIVSA-N 1 3 222.376 2.418 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC000378665195 993199976 /nfs/dbraw/zinc/19/99/76/993199976.db2.gz FQECACHFXDOELQ-AGIUHOORSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC000378665195 993199979 /nfs/dbraw/zinc/19/99/79/993199979.db2.gz FQECACHFXDOELQ-AGIUHOORSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC001576252801 993235124 /nfs/dbraw/zinc/23/51/24/993235124.db2.gz TZXOBTRFCQTNRF-HFLBYBBMSA-N 1 3 236.403 2.399 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCc1cccc2[nH]ccc21 ZINC001576380645 993284675 /nfs/dbraw/zinc/28/46/75/993284675.db2.gz WBQSNJTZUDTSBI-KGLIPLIRSA-N 1 3 243.354 2.383 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC12CCC(CC1)C2 ZINC001576608558 993367364 /nfs/dbraw/zinc/36/73/64/993367364.db2.gz UNJIQEHAFMBHIZ-RJZJGCCBSA-N 1 3 222.376 2.378 20 0 BEADHO C[C@H]1C[C@H](N)CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608558 993367366 /nfs/dbraw/zinc/36/73/66/993367366.db2.gz UNJIQEHAFMBHIZ-RJZJGCCBSA-N 1 3 222.376 2.378 20 0 BEADHO CCC(C)(C)OCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC001576948419 993462985 /nfs/dbraw/zinc/46/29/85/993462985.db2.gz PWANKMBNMWVHSD-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CCCSC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001577596951 993691784 /nfs/dbraw/zinc/69/17/84/993691784.db2.gz NSKBMHKCZGUWHU-SRVKXCTJSA-N 1 3 230.421 2.248 20 0 BEADHO CCCSC[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001577596951 993691791 /nfs/dbraw/zinc/69/17/91/993691791.db2.gz NSKBMHKCZGUWHU-SRVKXCTJSA-N 1 3 230.421 2.248 20 0 BEADHO [NH3+][C@@H]1CCCN(CCOCc2ccccc2)CC1 ZINC000393230944 993913998 /nfs/dbraw/zinc/91/39/98/993913998.db2.gz FLAAVNUUZWUACW-OAHLLOKOSA-N 1 3 248.370 2.016 20 0 BEADHO CC1(C)CC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000393768429 994001721 /nfs/dbraw/zinc/00/17/21/994001721.db2.gz IFJQTQZGHDBUCD-NSHDSACASA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC000821987771 994415213 /nfs/dbraw/zinc/41/52/13/994415213.db2.gz GOPKLBLPXNWZQL-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC000821987772 994416342 /nfs/dbraw/zinc/41/63/42/994416342.db2.gz GOPKLBLPXNWZQL-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CCN1 ZINC000821987590 994417357 /nfs/dbraw/zinc/41/73/57/994417357.db2.gz FKPLGBWADRRZNP-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C[NH2+]C[C@@H]2CN3CCC2CC3)CCC1 ZINC001621551228 1170845804 /nfs/dbraw/zinc/84/58/04/1170845804.db2.gz AQNBIBDJOJRSRT-CYBMUJFWSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCNC1 ZINC000042611051 1171240093 /nfs/dbraw/zinc/24/00/93/1171240093.db2.gz DHFGMHRDZVJKGO-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCNC1 ZINC000042611051 1171240100 /nfs/dbraw/zinc/24/01/00/1171240100.db2.gz DHFGMHRDZVJKGO-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](Cc1ccco1)[NH2+]CCCN1CCCC1 ZINC000049332596 1171688635 /nfs/dbraw/zinc/68/86/35/1171688635.db2.gz WAKUHRZADGYJDP-ZDUSSCGKSA-N 1 3 236.359 2.286 20 0 BEADHO C[C@@H](Cc1ccco1)NCCC[NH+]1CCCC1 ZINC000049332596 1171688642 /nfs/dbraw/zinc/68/86/42/1171688642.db2.gz WAKUHRZADGYJDP-ZDUSSCGKSA-N 1 3 236.359 2.286 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+]CC1=CCN(C)CC1 ZINC000336728558 398136161 /nfs/dbraw/zinc/13/61/61/398136161.db2.gz CPHMSNAMRKSQFS-LBPRGKRZSA-N 1 3 222.376 2.417 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCC1 ZINC000324956794 262798729 /nfs/dbraw/zinc/79/87/29/262798729.db2.gz VWAMDECPCFTVCQ-UPJWGTAASA-N 1 3 210.365 2.425 20 0 BEADHO C[C@]1(C[NH2+]C(C2CC2)C2CC2)CCCNC1 ZINC000062862635 349493596 /nfs/dbraw/zinc/49/35/96/349493596.db2.gz KAFKHUJZGKPLKD-AWEZNQCLSA-N 1 3 222.376 2.154 20 0 BEADHO CC(C)=CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000188459875 346814132 /nfs/dbraw/zinc/81/41/32/346814132.db2.gz BMNPVFRRXYHEKX-UHFFFAOYSA-N 1 3 222.376 2.417 20 0 BEADHO CC(C)=CCNC1CC[NH+](CC2CC2)CC1 ZINC000188459875 346814133 /nfs/dbraw/zinc/81/41/33/346814133.db2.gz BMNPVFRRXYHEKX-UHFFFAOYSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000423020523 398162274 /nfs/dbraw/zinc/16/22/74/398162274.db2.gz BUGJMQATQBEHBK-CYDGBPFRSA-N 1 3 242.407 2.296 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000423021290 398162702 /nfs/dbraw/zinc/16/27/02/398162702.db2.gz BPAJCQQKFLNXGJ-MFKMUULPSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)(C)C)C1CNC1 ZINC000423174441 398164478 /nfs/dbraw/zinc/16/44/78/398164478.db2.gz CDKRGHHHZZIYQW-UHTWSYAYSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1cc(F)ccc1CC[NH2+]C1CCNCC1 ZINC000094950569 178084079 /nfs/dbraw/zinc/08/40/79/178084079.db2.gz DESDUOUBVHPDOP-UHFFFAOYSA-N 1 3 236.334 2.018 20 0 BEADHO Cc1cc(F)ccc1CCNC1CC[NH2+]CC1 ZINC000094950569 178084080 /nfs/dbraw/zinc/08/40/80/178084080.db2.gz DESDUOUBVHPDOP-UHFFFAOYSA-N 1 3 236.334 2.018 20 0 BEADHO CCC[C@H](CNC[C@H](C)C[NH+]1CCCC1)OC ZINC000386162612 398198545 /nfs/dbraw/zinc/19/85/45/398198545.db2.gz VDNCLZARAJGCFH-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](C[NH2+]C[C@H](C)CN1CCCC1)OC ZINC000386162612 398198548 /nfs/dbraw/zinc/19/85/48/398198548.db2.gz VDNCLZARAJGCFH-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000380746468 398207066 /nfs/dbraw/zinc/20/70/66/398207066.db2.gz SUURLBFAFWATPP-DMDPSCGWSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1cccs1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000380746468 398207070 /nfs/dbraw/zinc/20/70/70/398207070.db2.gz SUURLBFAFWATPP-DMDPSCGWSA-N 1 3 238.400 2.267 20 0 BEADHO Cc1cc(N[C@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000052093673 178190778 /nfs/dbraw/zinc/19/07/78/178190778.db2.gz OVAAEUDUWKFROZ-NSHDSACASA-N 1 3 227.311 2.317 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCOC2)c2ccccc21 ZINC000252794508 136226755 /nfs/dbraw/zinc/22/67/55/136226755.db2.gz YXMMVVYDQGMHBT-DFBGVHRSSA-N 1 3 246.354 2.147 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCSC[C@H](C)C1 ZINC000191896804 361827167 /nfs/dbraw/zinc/82/71/67/361827167.db2.gz USNAKJMQYPXUJM-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO CCN(CC)CCC[N@H+]1CCSC[C@H](C)C1 ZINC000191896804 361827172 /nfs/dbraw/zinc/82/71/72/361827172.db2.gz USNAKJMQYPXUJM-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO c1cc(C[NH2+][C@H]2CCCSC2)cc2c1CNC2 ZINC000335065006 136232574 /nfs/dbraw/zinc/23/25/74/136232574.db2.gz ZQQXNAZFLISIHE-AWEZNQCLSA-N 1 3 248.395 2.275 20 0 BEADHO C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000348109800 136234364 /nfs/dbraw/zinc/23/43/64/136234364.db2.gz ZITBKZLCCIZSGY-APIJFGDWSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@H]1C ZINC000165715356 361844950 /nfs/dbraw/zinc/84/49/50/361844950.db2.gz CERARHALVOMXKN-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CN(C)CCOc1ccc(C[NH+]2CCCC2)cc1 ZINC000613259540 361868813 /nfs/dbraw/zinc/86/88/13/361868813.db2.gz DJEGHARIWGPHDS-UHFFFAOYSA-N 1 3 248.370 2.223 20 0 BEADHO CCN(CC)CCC[N@H+](C)C(C)(C)C ZINC000145606067 342761162 /nfs/dbraw/zinc/76/11/62/342761162.db2.gz MGZLEEGOHHLDJC-UHFFFAOYSA-N 1 3 200.370 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+](C)C(C)(C)C ZINC000145606067 342761163 /nfs/dbraw/zinc/76/11/63/342761163.db2.gz MGZLEEGOHHLDJC-UHFFFAOYSA-N 1 3 200.370 2.449 20 0 BEADHO CC[NH+](CC)CCCN(C)C(C)(C)C ZINC000145606067 342761164 /nfs/dbraw/zinc/76/11/64/342761164.db2.gz MGZLEEGOHHLDJC-UHFFFAOYSA-N 1 3 200.370 2.449 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000335365121 398287144 /nfs/dbraw/zinc/28/71/44/398287144.db2.gz YIPJPUXLBHJZCZ-SWLSCSKDSA-N 1 3 247.386 2.150 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000335365121 398287146 /nfs/dbraw/zinc/28/71/46/398287146.db2.gz YIPJPUXLBHJZCZ-SWLSCSKDSA-N 1 3 247.386 2.150 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040622280 538971888 /nfs/dbraw/zinc/97/18/88/538971888.db2.gz DVLASFIIZGGXPS-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000382309829 361895440 /nfs/dbraw/zinc/89/54/40/361895440.db2.gz ICPILYPPTRBBKM-QJPTWQEYSA-N 1 3 246.345 2.481 20 0 BEADHO CCC1CC([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000309715665 342799274 /nfs/dbraw/zinc/79/92/74/342799274.db2.gz SRRNNHGWVIGJRX-MOKVOYLWSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)CCS1 ZINC000192191317 538993989 /nfs/dbraw/zinc/99/39/89/538993989.db2.gz BMYJMQAULLPXID-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)CCS1 ZINC000192191317 538993990 /nfs/dbraw/zinc/99/39/90/538993990.db2.gz BMYJMQAULLPXID-STQMWFEESA-N 1 3 242.432 2.298 20 0 BEADHO Cc1csc([C@@H](C)NCCCC[NH+](C)C)n1 ZINC000381750589 539006384 /nfs/dbraw/zinc/00/63/84/539006384.db2.gz RBFGSHDBHFWQDH-LLVKDONJSA-N 1 3 241.404 2.444 20 0 BEADHO FC1(F)CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000383928845 539012099 /nfs/dbraw/zinc/01/20/99/539012099.db2.gz BHCOFLJHKWKGTD-WOPDTQHZSA-N 1 3 244.329 2.391 20 0 BEADHO FC1(F)CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000383928845 539012101 /nfs/dbraw/zinc/01/21/01/539012101.db2.gz BHCOFLJHKWKGTD-WOPDTQHZSA-N 1 3 244.329 2.391 20 0 BEADHO C[C@@H]1C[C@@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC000197532348 539012153 /nfs/dbraw/zinc/01/21/53/539012153.db2.gz YJADHPWJQNQDBK-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C1SCC1[NH2+]C1CCN(C2CCCC2)CC1 ZINC000381278932 538997422 /nfs/dbraw/zinc/99/74/22/538997422.db2.gz XQPUGOBZXIZKPO-UHFFFAOYSA-N 1 3 240.416 2.098 20 0 BEADHO CC1(C)CCCC[C@@H]1[NH2+]C[C@H]1CCCN1 ZINC000232769763 342880104 /nfs/dbraw/zinc/88/01/04/342880104.db2.gz PTYCVMPRCWFVKD-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228072591 398340734 /nfs/dbraw/zinc/34/07/34/398340734.db2.gz UFOCGSBCMHGCOX-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CN)C[C@H]2C)c1 ZINC000228072591 398340735 /nfs/dbraw/zinc/34/07/35/398340735.db2.gz UFOCGSBCMHGCOX-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)c1 ZINC000228072591 398340736 /nfs/dbraw/zinc/34/07/36/398340736.db2.gz UFOCGSBCMHGCOX-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO CC[C@H](c1ccccc1)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313350934 259333951 /nfs/dbraw/zinc/33/39/51/259333951.db2.gz LDLYUAKFCZJNSB-HUUCEWRRSA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@H](c1ccccc1)[N@H+]1CCCO[C@H](CN)C1 ZINC000313350934 259333953 /nfs/dbraw/zinc/33/39/53/259333953.db2.gz LDLYUAKFCZJNSB-HUUCEWRRSA-N 1 3 248.370 2.187 20 0 BEADHO CC[C@H](c1ccccc1)N1CCCO[C@H](C[NH3+])C1 ZINC000313350934 259333955 /nfs/dbraw/zinc/33/39/55/259333955.db2.gz LDLYUAKFCZJNSB-HUUCEWRRSA-N 1 3 248.370 2.187 20 0 BEADHO CCc1cc(NCC2=CCN(C)CC2)cc[nH+]1 ZINC000307781261 529555311 /nfs/dbraw/zinc/55/53/11/529555311.db2.gz ZJEOWCCWVMVMPA-UHFFFAOYSA-N 1 3 231.343 2.318 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336683718 346910874 /nfs/dbraw/zinc/91/08/74/346910874.db2.gz ZIJBGEABSBEWRO-UPJWGTAASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336683718 346910878 /nfs/dbraw/zinc/91/08/78/346910878.db2.gz ZIJBGEABSBEWRO-UPJWGTAASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336683718 346910883 /nfs/dbraw/zinc/91/08/83/346910883.db2.gz ZIJBGEABSBEWRO-UPJWGTAASA-N 1 3 222.376 2.391 20 0 BEADHO Cc1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535120 343008839 /nfs/dbraw/zinc/00/88/39/343008839.db2.gz PGJMMWNAQDBFPD-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1ccc(CNC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000044535120 343008842 /nfs/dbraw/zinc/00/88/42/343008842.db2.gz PGJMMWNAQDBFPD-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO CC(C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246986812 343011693 /nfs/dbraw/zinc/01/16/93/343011693.db2.gz WETHOZHNAZOARE-GXTWGEPZSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246986812 343011694 /nfs/dbraw/zinc/01/16/94/343011694.db2.gz WETHOZHNAZOARE-GXTWGEPZSA-N 1 3 222.376 2.344 20 0 BEADHO CN(CCC1CC1)CC[C@@H]1CCC[N@@H+]1C ZINC000162615879 349769444 /nfs/dbraw/zinc/76/94/44/349769444.db2.gz BOEXXRDDZKDPBR-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CN(CCC1CC1)CC[C@@H]1CCC[N@H+]1C ZINC000162615879 349769448 /nfs/dbraw/zinc/76/94/48/349769448.db2.gz BOEXXRDDZKDPBR-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000235468637 343038940 /nfs/dbraw/zinc/03/89/40/343038940.db2.gz HHWRWHNIUYVHAH-HLTSFMKQSA-N 1 3 224.270 2.187 20 0 BEADHO CC(C)[C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386597517 343079450 /nfs/dbraw/zinc/07/94/50/343079450.db2.gz TWAVFVOTNYPPMK-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO C(CC1CCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000168730138 136269859 /nfs/dbraw/zinc/26/98/59/136269859.db2.gz SZYQSOXBDMDXHU-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO Cc1cccc(OCCN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093215588 343151329 /nfs/dbraw/zinc/15/13/29/343151329.db2.gz FPEWPCMBEIEHRL-ZIAGYGMSSA-N 1 3 248.370 2.233 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000093210093 343151335 /nfs/dbraw/zinc/15/13/35/343151335.db2.gz MJSZYFRIPVKXIC-GJZGRUSLSA-N 1 3 232.371 2.479 20 0 BEADHO CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000069724633 343290045 /nfs/dbraw/zinc/29/00/45/343290045.db2.gz VUYFQPMJLFLXLU-YPMHNXCESA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000069724633 343290048 /nfs/dbraw/zinc/29/00/48/343290048.db2.gz VUYFQPMJLFLXLU-YPMHNXCESA-N 1 3 212.381 2.482 20 0 BEADHO CN1CCC(Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000036979588 343329347 /nfs/dbraw/zinc/32/93/47/343329347.db2.gz KHOFIYPDLNKUHS-UHFFFAOYSA-N 1 3 247.386 2.254 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000569801919 323041122 /nfs/dbraw/zinc/04/11/22/323041122.db2.gz RXQZBSBBKMFFBB-YPMHNXCESA-N 1 3 238.400 2.398 20 0 BEADHO COCc1cccc(CNC2CC[NH+](C)CC2)c1 ZINC000038010399 343364749 /nfs/dbraw/zinc/36/47/49/343364749.db2.gz HJZPVSNOZXVFPI-UHFFFAOYSA-N 1 3 248.370 2.017 20 0 BEADHO Fc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000037408268 343344782 /nfs/dbraw/zinc/34/47/82/343344782.db2.gz LBVAKXUODGOHIA-ZDUSSCGKSA-N 1 3 248.345 2.400 20 0 BEADHO C1[C@H](C2CCCCC2)[C@H]1[NH2+]C1CCNCC1 ZINC000335650719 136305111 /nfs/dbraw/zinc/30/51/11/136305111.db2.gz XUQFUYGXJHWPBD-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO C1[C@H](C2CCCCC2)[C@H]1NC1CC[NH2+]CC1 ZINC000335650719 136305112 /nfs/dbraw/zinc/30/51/12/136305112.db2.gz XUQFUYGXJHWPBD-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1CCCNCC1 ZINC000335650855 136305174 /nfs/dbraw/zinc/30/51/74/136305174.db2.gz QSELBDNLLMWYPW-GJZGRUSLSA-N 1 3 244.382 2.448 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904070 323043987 /nfs/dbraw/zinc/04/39/87/323043987.db2.gz CVXSMHBKIYJEFW-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904070 323043988 /nfs/dbraw/zinc/04/39/88/323043988.db2.gz CVXSMHBKIYJEFW-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO CC(C)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000335640870 136308673 /nfs/dbraw/zinc/30/86/73/136308673.db2.gz CBXWCULTTQPWIM-BPCQOVAHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000166225095 136313594 /nfs/dbraw/zinc/31/35/94/136313594.db2.gz CYYCZCKLPMETPY-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166225095 136313595 /nfs/dbraw/zinc/31/35/95/136313595.db2.gz CYYCZCKLPMETPY-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)(C)[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000166228577 136314738 /nfs/dbraw/zinc/31/47/38/136314738.db2.gz WCENZTRHPDZKQW-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000166228577 136314739 /nfs/dbraw/zinc/31/47/39/136314739.db2.gz WCENZTRHPDZKQW-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000349157523 136327812 /nfs/dbraw/zinc/32/78/12/136327812.db2.gz YTPCJFVNDMXXMU-YUELXQCFSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000349157523 136327813 /nfs/dbraw/zinc/32/78/13/136327813.db2.gz YTPCJFVNDMXXMU-YUELXQCFSA-N 1 3 236.403 2.306 20 0 BEADHO CCCN(CCC[NH+](C)C)CCSCC ZINC000349387086 136344362 /nfs/dbraw/zinc/34/43/62/136344362.db2.gz URCQHTYKVHWTDP-UHFFFAOYSA-N 1 3 232.437 2.403 20 0 BEADHO COC1CC([NH2+]Cc2ccc(CN(C)C)cc2)C1 ZINC000350504785 136361821 /nfs/dbraw/zinc/36/18/21/136361821.db2.gz CDSQYRFBYLNBMK-UHFFFAOYSA-N 1 3 248.370 2.015 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2N)ccc1F ZINC000258862202 136373957 /nfs/dbraw/zinc/37/39/57/136373957.db2.gz FOSCGRZEPZFWHL-QWHCGFSZSA-N 1 3 222.307 2.104 20 0 BEADHO CC(C)CC[C@H](C)NCC[NH2+]C(C)C ZINC000053388246 1172029040 /nfs/dbraw/zinc/02/90/40/1172029040.db2.gz AJGZMVNAQFXPDE-LBPRGKRZSA-N 1 3 200.370 2.399 20 0 BEADHO CC1CCC([N@H+](CCCN)C2CC2)CC1 ZINC000082848506 343468520 /nfs/dbraw/zinc/46/85/20/343468520.db2.gz HJFVIHWQSGCOIV-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO CC1CCC([N@@H+](CCCN)C2CC2)CC1 ZINC000082848506 343468522 /nfs/dbraw/zinc/46/85/22/343468522.db2.gz HJFVIHWQSGCOIV-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1CC[N@H+](CCC2CCC2)C[C@H]1CN ZINC000398701230 488222663 /nfs/dbraw/zinc/22/26/63/488222663.db2.gz KBUWTBZEIMGUGB-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CCC2CCC2)C[C@H]1CN ZINC000398701230 488222666 /nfs/dbraw/zinc/22/26/66/488222666.db2.gz KBUWTBZEIMGUGB-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1C ZINC000011888393 343772068 /nfs/dbraw/zinc/77/20/68/343772068.db2.gz REGJVJJCHLELIF-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO C(C[NH2+][C@H]1CC[C@H]1C1CC1)CN1CCCC1 ZINC000336650615 537820923 /nfs/dbraw/zinc/82/09/23/537820923.db2.gz DTUXKSVRIRVOSE-KBPBESRZSA-N 1 3 222.376 2.251 20 0 BEADHO C/C=C\C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000384716500 343960466 /nfs/dbraw/zinc/96/04/66/343960466.db2.gz FZCKUJYJOPUAFF-IHWYPQMZSA-N 1 3 231.343 2.216 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000634732597 344106265 /nfs/dbraw/zinc/10/62/65/344106265.db2.gz KANCFADFESWRDK-RYUDHWBXSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCSC2)C1 ZINC000634732597 344106269 /nfs/dbraw/zinc/10/62/69/344106269.db2.gz KANCFADFESWRDK-RYUDHWBXSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733439 344113229 /nfs/dbraw/zinc/11/32/29/344113229.db2.gz FYIFOVKNAVEJGV-GRYCIOLGSA-N 1 3 210.365 2.010 20 0 BEADHO CC1(C)CC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000129588030 344213472 /nfs/dbraw/zinc/21/34/72/344213472.db2.gz YYJNXHKXAQIQGS-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCc2ccccc2F)C1 ZINC000093209725 344312075 /nfs/dbraw/zinc/31/20/75/344312075.db2.gz GKTZXNQQPJAUQJ-STQMWFEESA-N 1 3 236.334 2.228 20 0 BEADHO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CN ZINC000044540061 344543055 /nfs/dbraw/zinc/54/30/55/344543055.db2.gz KXRSCXFPHQGAGL-LLVKDONJSA-N 1 3 224.373 2.370 20 0 BEADHO Cc1ccsc1C[N@H+]1CCCC[C@@H]1CN ZINC000044540061 344543056 /nfs/dbraw/zinc/54/30/56/344543056.db2.gz KXRSCXFPHQGAGL-LLVKDONJSA-N 1 3 224.373 2.370 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336771596 537849143 /nfs/dbraw/zinc/84/91/43/537849143.db2.gz USIYZGYEJVTXJZ-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](N)C(C)C)s1 ZINC000050226804 344743092 /nfs/dbraw/zinc/74/30/92/344743092.db2.gz VPSOVVSPHKRLQI-LLVKDONJSA-N 1 3 212.362 2.129 20 0 BEADHO CC(C)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158612294 344695967 /nfs/dbraw/zinc/69/59/67/344695967.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158612294 344695969 /nfs/dbraw/zinc/69/59/69/344695969.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158612294 344695971 /nfs/dbraw/zinc/69/59/71/344695971.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158612294 344695972 /nfs/dbraw/zinc/69/59/72/344695972.db2.gz AYPGVLVFQCYHSV-KGLIPLIRSA-N 1 3 224.392 2.449 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000234767361 537871827 /nfs/dbraw/zinc/87/18/27/537871827.db2.gz YZCYVKTWFCDCSX-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO C1CC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250652507 192369838 /nfs/dbraw/zinc/36/98/38/192369838.db2.gz MRUGVJXLUDOKBZ-JHJVBQTASA-N 1 3 208.349 2.049 20 0 BEADHO C(C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156480076 345167315 /nfs/dbraw/zinc/16/73/15/345167315.db2.gz DTQSDWXJHTXFLV-AWEZNQCLSA-N 1 3 222.376 2.347 20 0 BEADHO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@H]2CCCC[C@@H]12 ZINC000634992812 345188178 /nfs/dbraw/zinc/18/81/78/345188178.db2.gz BJLICCOUVDWCAO-FVEONMQPSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@H+](CC23CC(C2)CN3)[C@H]2CCCC[C@@H]12 ZINC000634992812 345188181 /nfs/dbraw/zinc/18/81/81/345188181.db2.gz BJLICCOUVDWCAO-FVEONMQPSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H]1C[N@@H+](CC23CC(C2)CN3)[C@H]2CCCC[C@@H]12 ZINC000634992812 345188184 /nfs/dbraw/zinc/18/81/84/345188184.db2.gz BJLICCOUVDWCAO-FVEONMQPSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@H]1CCCC[C@]1(C)NCC12CC(C1)C[NH2+]2 ZINC000634996572 345189014 /nfs/dbraw/zinc/18/90/14/345189014.db2.gz OERJCNYONGASKY-AHPWVWPOSA-N 1 3 222.376 2.297 20 0 BEADHO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)ccc1C ZINC000634999689 345200029 /nfs/dbraw/zinc/20/00/29/345200029.db2.gz XXQRNWAPZOPSER-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO C[C@H](N[C@@H]1CCCC12CC2)[C@H]1CCCC[NH2+]1 ZINC000635003290 345205884 /nfs/dbraw/zinc/20/58/84/345205884.db2.gz HTYBMDQOTWSZSA-YNEHKIRRSA-N 1 3 222.376 2.439 20 0 BEADHO C1CC12CCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004434 345207720 /nfs/dbraw/zinc/20/77/20/345207720.db2.gz OKPUQSCNJGZVHD-HNGCFSAESA-N 1 3 220.360 2.192 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@H]1C[C@H]1C ZINC000635004757 345208320 /nfs/dbraw/zinc/20/83/20/345208320.db2.gz DXGHRNMIGISELR-LPWJVIDDSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccco1 ZINC000635004818 345208329 /nfs/dbraw/zinc/20/83/29/345208329.db2.gz GMGQHVXCCLUUIS-SRVKXCTJSA-N 1 3 222.332 2.448 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCC[C@@H]1CNc2ccccc21 ZINC000635005717 345209726 /nfs/dbraw/zinc/20/97/26/345209726.db2.gz JPGBYHGUASHMIX-UXIGCNINSA-N 1 3 245.370 2.055 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCC[C@@H]1CNc2ccccc21 ZINC000635005699 345210172 /nfs/dbraw/zinc/21/01/72/345210172.db2.gz JPGBYHGUASHMIX-KYOSRNDESA-N 1 3 245.370 2.055 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635011120 345213092 /nfs/dbraw/zinc/21/30/92/345213092.db2.gz MHBATPVWVMNCNK-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2[nH]ccc21 ZINC000635011313 345213518 /nfs/dbraw/zinc/21/35/18/345213518.db2.gz DTQGNLQGLGWGRB-GHMZBOCLSA-N 1 3 231.343 2.383 20 0 BEADHO CCC[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009294 345216435 /nfs/dbraw/zinc/21/64/35/345216435.db2.gz MXOOCJPHTPGKOJ-LBPRGKRZSA-N 1 3 248.374 2.092 20 0 BEADHO CSCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158476083 345337949 /nfs/dbraw/zinc/33/79/49/345337949.db2.gz HQCHMDAGYCLRQX-OLZOCXBDSA-N 1 3 242.432 2.156 20 0 BEADHO CSCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158476083 345337950 /nfs/dbraw/zinc/33/79/50/345337950.db2.gz HQCHMDAGYCLRQX-OLZOCXBDSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccsc1)CN(C)C ZINC000381455937 345937180 /nfs/dbraw/zinc/93/71/80/345937180.db2.gz IJRPRCURNRACCP-RYUDHWBXSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@@H](CN[C@@H](C)Cc1ccsc1)C[NH+](C)C ZINC000381455937 345937183 /nfs/dbraw/zinc/93/71/83/345937183.db2.gz IJRPRCURNRACCP-RYUDHWBXSA-N 1 3 240.416 2.466 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000381521491 346242502 /nfs/dbraw/zinc/24/25/02/346242502.db2.gz UVIMQJWVXAAEMI-ZDUSSCGKSA-N 1 3 224.392 2.497 20 0 BEADHO CN(CCC[NH+](C)C)C[C@@]1(C)CCCS1 ZINC000628277192 346286434 /nfs/dbraw/zinc/28/64/34/346286434.db2.gz GYRURWQGEWQLDM-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 ZINC000563348531 323119880 /nfs/dbraw/zinc/11/98/80/323119880.db2.gz BTFIMBDCIPTINL-RTXFEEFZSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1cccc(CC[N@@H+]2CCN[C@H](C)CC2)c1 ZINC000051671002 179057066 /nfs/dbraw/zinc/05/70/66/179057066.db2.gz HNBUUEVBSDIHNG-CQSZACIVSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1cccc(CC[N@H+]2CCN[C@H](C)CC2)c1 ZINC000051671002 179057067 /nfs/dbraw/zinc/05/70/67/179057067.db2.gz HNBUUEVBSDIHNG-CQSZACIVSA-N 1 3 232.371 2.221 20 0 BEADHO Cc1cccc(CC[NH2+]C[C@H]2CCCNC2)c1 ZINC000132242818 179058570 /nfs/dbraw/zinc/05/85/70/179058570.db2.gz USSOTPDCZPUDTC-HNNXBMFYSA-N 1 3 232.371 2.127 20 0 BEADHO Cc1cccc(CCNC[C@H]2CCC[NH2+]C2)c1 ZINC000132242818 179058571 /nfs/dbraw/zinc/05/85/71/179058571.db2.gz USSOTPDCZPUDTC-HNNXBMFYSA-N 1 3 232.371 2.127 20 0 BEADHO CC(C)CN1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000158445811 346396972 /nfs/dbraw/zinc/39/69/72/346396972.db2.gz DIPDTSNJPKVFOK-UHFFFAOYSA-N 1 3 249.402 2.235 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300361729 346432009 /nfs/dbraw/zinc/43/20/09/346432009.db2.gz HHWRWHNIUYVHAH-HRDYMLBCSA-N 1 3 224.270 2.187 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@H](C)C1CC1 ZINC000170794150 346451492 /nfs/dbraw/zinc/45/14/92/346451492.db2.gz SGKIQEQOQVEZRI-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@H](C)C1CC1 ZINC000170794150 346451494 /nfs/dbraw/zinc/45/14/94/346451494.db2.gz SGKIQEQOQVEZRI-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN(C)[C@H](C)C1CC1 ZINC000170794150 346451498 /nfs/dbraw/zinc/45/14/98/346451498.db2.gz SGKIQEQOQVEZRI-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@H](c1ccccn1)N1CCC(CC[NH3+])CC1 ZINC000070183554 349967259 /nfs/dbraw/zinc/96/72/59/349967259.db2.gz UYUYGGOIQDZTFV-GFCCVEGCSA-N 1 3 233.359 2.203 20 0 BEADHO C[C@@H](c1ccccn1)N1CCC(CC[NH3+])CC1 ZINC000070183553 349967365 /nfs/dbraw/zinc/96/73/65/349967365.db2.gz UYUYGGOIQDZTFV-LBPRGKRZSA-N 1 3 233.359 2.203 20 0 BEADHO Cc1cnccc1C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1CN ZINC000641806382 362764748 /nfs/dbraw/zinc/76/47/48/362764748.db2.gz RIPAHFCEZSMLRI-KYOSRNDESA-N 1 3 247.386 2.338 20 0 BEADHO Cc1cnccc1C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1CN ZINC000641806382 362764754 /nfs/dbraw/zinc/76/47/54/362764754.db2.gz RIPAHFCEZSMLRI-KYOSRNDESA-N 1 3 247.386 2.338 20 0 BEADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000252699707 346780356 /nfs/dbraw/zinc/78/03/56/346780356.db2.gz VTIFYBOKHPLFSV-UPJWGTAASA-N 1 3 218.344 2.417 20 0 BEADHO C[C@H](c1ccccc1)[N@H+]1C[C@H](CN)C[C@H]1C ZINC000252699707 346780360 /nfs/dbraw/zinc/78/03/60/346780360.db2.gz VTIFYBOKHPLFSV-UPJWGTAASA-N 1 3 218.344 2.417 20 0 BEADHO Cc1cccc(OCCN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000228081180 179168146 /nfs/dbraw/zinc/16/81/46/179168146.db2.gz WWLCIKSNBIPCTD-KGLIPLIRSA-N 1 3 248.370 2.043 20 0 BEADHO CN1CC=C(C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000392185351 347504092 /nfs/dbraw/zinc/50/40/92/347504092.db2.gz DAXPZWYIXUYCHY-ZDUSSCGKSA-N 1 3 240.416 2.124 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000319487598 259396360 /nfs/dbraw/zinc/39/63/60/259396360.db2.gz GWCWRXMCIJWVGW-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccccc1CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359283907 179261109 /nfs/dbraw/zinc/26/11/09/179261109.db2.gz KIXOKSVNFQJGJF-HOTGVXAUSA-N 1 3 244.382 2.079 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000122313705 179275475 /nfs/dbraw/zinc/27/54/75/179275475.db2.gz UHUWXBOGCHTLEN-STQMWFEESA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000122313705 179275478 /nfs/dbraw/zinc/27/54/78/179275478.db2.gz UHUWXBOGCHTLEN-STQMWFEESA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049712976 179275966 /nfs/dbraw/zinc/27/59/66/179275966.db2.gz RYRFEPQYAFWMQG-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+]C1CCNCC1 ZINC000038041523 179291457 /nfs/dbraw/zinc/29/14/57/179291457.db2.gz QGKQFYVYVUXXJO-ZDUSSCGKSA-N 1 3 232.371 2.268 20 0 BEADHO Cc1ccccc1C[C@H](C)NC1CC[NH2+]CC1 ZINC000038041523 179291460 /nfs/dbraw/zinc/29/14/60/179291460.db2.gz QGKQFYVYVUXXJO-ZDUSSCGKSA-N 1 3 232.371 2.268 20 0 BEADHO CS[C@H]1CC[C@@H]1NCCC[N@H+](C)CC(C)C ZINC000593647111 347926480 /nfs/dbraw/zinc/92/64/80/347926480.db2.gz WJJXMMPBUDBPJV-STQMWFEESA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@H]1CC[C@@H]1NCCC[N@@H+](C)CC(C)C ZINC000593647111 347926483 /nfs/dbraw/zinc/92/64/83/347926483.db2.gz WJJXMMPBUDBPJV-STQMWFEESA-N 1 3 244.448 2.448 20 0 BEADHO CS[C@H]1CC[C@@H]1[NH2+]CCCN(C)CC(C)C ZINC000593647111 347926487 /nfs/dbraw/zinc/92/64/87/347926487.db2.gz WJJXMMPBUDBPJV-STQMWFEESA-N 1 3 244.448 2.448 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CCOC1 ZINC000253070968 347932537 /nfs/dbraw/zinc/93/25/37/347932537.db2.gz MUOOIXVAXABZBU-UOVKNHIHSA-N 1 3 246.354 2.146 20 0 BEADHO C(=C/C[N@H+]1CC=CCC1)\CN1CC=CCC1 ZINC000679322269 490113682 /nfs/dbraw/zinc/11/36/82/490113682.db2.gz YIXYOJUFEHVRFK-BQYQJAHWSA-N 1 3 218.344 2.066 20 0 BEADHO C(=C/C[N@@H+]1CC=CCC1)\CN1CC=CCC1 ZINC000679322269 490113688 /nfs/dbraw/zinc/11/36/88/490113688.db2.gz YIXYOJUFEHVRFK-BQYQJAHWSA-N 1 3 218.344 2.066 20 0 BEADHO C[C@@H]1C[C@@H](C)C[NH+](CCSCCN(C)C)C1 ZINC000594889277 348122782 /nfs/dbraw/zinc/12/27/82/348122782.db2.gz AJEBHLHOBDLZQB-CHWSQXEVSA-N 1 3 244.448 2.259 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CSCCF)C1 ZINC000595010211 348159919 /nfs/dbraw/zinc/15/99/19/348159919.db2.gz IZPGPNKGEUGIND-RYUDHWBXSA-N 1 3 248.411 2.009 20 0 BEADHO CSCCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507813 348264836 /nfs/dbraw/zinc/26/48/36/348264836.db2.gz RGWAJMUGHTWVDK-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507813 348264838 /nfs/dbraw/zinc/26/48/38/348264838.db2.gz RGWAJMUGHTWVDK-ZDUSSCGKSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000229207804 490158609 /nfs/dbraw/zinc/15/86/09/490158609.db2.gz MSXDMBAIMLCMNU-VXGBXAGGSA-N 1 3 230.421 2.237 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623505662 362929996 /nfs/dbraw/zinc/92/99/96/362929996.db2.gz LGFMWZUWWSDHOV-GFCCVEGCSA-N 1 3 210.365 2.415 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623505662 362930001 /nfs/dbraw/zinc/93/00/01/362930001.db2.gz LGFMWZUWWSDHOV-GFCCVEGCSA-N 1 3 210.365 2.415 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CC)C1 ZINC000248375590 349127374 /nfs/dbraw/zinc/12/73/74/349127374.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+]([C@H](C)CC)C1 ZINC000248375590 349127377 /nfs/dbraw/zinc/12/73/77/349127377.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)CC)C1 ZINC000248375590 349127383 /nfs/dbraw/zinc/12/73/83/349127383.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)CC)C1 ZINC000248375590 349127388 /nfs/dbraw/zinc/12/73/88/349127388.db2.gz XFYATVOPTXIIJU-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO C(C[NH2+]CC1CC1)NC1CCCCCC1 ZINC000040397512 191001158 /nfs/dbraw/zinc/00/11/58/191001158.db2.gz DODLJMGUCHAKBE-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO Cc1ncc(CN2CCC[C@@H](CC[NH3+])C2)s1 ZINC000069724474 180143343 /nfs/dbraw/zinc/14/33/43/180143343.db2.gz HACGSOIEGNJFIG-NSHDSACASA-N 1 3 239.388 2.012 20 0 BEADHO Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422756414 192456931 /nfs/dbraw/zinc/45/69/31/192456931.db2.gz IQYPDOLVNHZAAU-NWDGAFQWSA-N 1 3 206.333 2.210 20 0 BEADHO Fc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422782951 192465994 /nfs/dbraw/zinc/46/59/94/192465994.db2.gz KHYIXTCFAQVQBE-YIONKMFJSA-N 1 3 248.345 2.241 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000397864874 350463429 /nfs/dbraw/zinc/46/34/29/350463429.db2.gz ZPEYQIODACHKEI-PCDDKUFXSA-N 1 3 248.395 2.472 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000228914323 191108559 /nfs/dbraw/zinc/10/85/59/191108559.db2.gz WREZXLNJRZAORT-UTUOFQBUSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccccc1 ZINC000422742901 192469175 /nfs/dbraw/zinc/46/91/75/192469175.db2.gz HFMFHXXJCVJXHV-QJPTWQEYSA-N 1 3 206.333 2.463 20 0 BEADHO C[C@H](C[N@H+](C)C1CC(N)C1)c1ccccc1 ZINC000384957138 350673244 /nfs/dbraw/zinc/67/32/44/350673244.db2.gz GWSMVXOMRLFKGH-LMWSTFAQSA-N 1 3 218.344 2.212 20 0 BEADHO C[C@H](C[N@@H+](C)C1CC(N)C1)c1ccccc1 ZINC000384957138 350673246 /nfs/dbraw/zinc/67/32/46/350673246.db2.gz GWSMVXOMRLFKGH-LMWSTFAQSA-N 1 3 218.344 2.212 20 0 BEADHO CCN(CC)CCC[NH+]1CCC(C)CC1 ZINC000041226426 350784832 /nfs/dbraw/zinc/78/48/32/350784832.db2.gz KKXQYMCBYQVKRA-UHFFFAOYSA-N 1 3 212.381 2.450 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000414792920 351773305 /nfs/dbraw/zinc/77/33/05/351773305.db2.gz JIWLQKJZWVLZOB-OCCSQVGLSA-N 1 3 236.334 2.351 20 0 BEADHO CCC[C@@H](CN1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000638131881 352001826 /nfs/dbraw/zinc/00/18/26/352001826.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](CN1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000638131881 352001828 /nfs/dbraw/zinc/00/18/28/352001828.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](C[N@@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000638131881 352001832 /nfs/dbraw/zinc/00/18/32/352001832.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@@H](C[N@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000638131881 352001833 /nfs/dbraw/zinc/00/18/33/352001833.db2.gz FDSXJYKNRHGNFJ-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CO[C@H](CNCCC[NH+](C)C)C1CCCCC1 ZINC000638289482 352125202 /nfs/dbraw/zinc/12/52/02/352125202.db2.gz JZXWFRDZTFEWFT-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CC1(F)F ZINC000638307192 352135636 /nfs/dbraw/zinc/13/56/36/352135636.db2.gz HQKXXMVNJPKCNH-RYUDHWBXSA-N 1 3 246.345 2.496 20 0 BEADHO CCOC1CC(C[NH2+]CCCN(C)C(C)C)C1 ZINC000638337382 352156319 /nfs/dbraw/zinc/15/63/19/352156319.db2.gz FMFLGQMKYIJZHA-UHFFFAOYSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](NC[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000414899932 352174877 /nfs/dbraw/zinc/17/48/77/352174877.db2.gz CVPXMPBBNBEDCY-HZSPNIEDSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414918229 352272837 /nfs/dbraw/zinc/27/28/37/352272837.db2.gz TWEWCEVDACGCRO-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)[C@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000257789558 535175998 /nfs/dbraw/zinc/17/59/98/535175998.db2.gz XGYZEFMDIWROOC-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000257789558 535176002 /nfs/dbraw/zinc/17/60/02/535176002.db2.gz XGYZEFMDIWROOC-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO COC[C@H](CC(C)C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414919520 352281470 /nfs/dbraw/zinc/28/14/70/352281470.db2.gz XFOOTZBQZNHTGY-UONOGXRCSA-N 1 3 242.407 2.027 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414919520 352281473 /nfs/dbraw/zinc/28/14/73/352281473.db2.gz XFOOTZBQZNHTGY-UONOGXRCSA-N 1 3 242.407 2.027 20 0 BEADHO COC[C@H](CC(C)C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414919518 352281564 /nfs/dbraw/zinc/28/15/64/352281564.db2.gz XFOOTZBQZNHTGY-KBPBESRZSA-N 1 3 242.407 2.027 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919518 352281568 /nfs/dbraw/zinc/28/15/68/352281568.db2.gz XFOOTZBQZNHTGY-KBPBESRZSA-N 1 3 242.407 2.027 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H]1CCC[C@H](C)C1 ZINC000414955623 352374983 /nfs/dbraw/zinc/37/49/83/352374983.db2.gz MIMRHDPVBFORFV-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000415011577 352546631 /nfs/dbraw/zinc/54/66/31/352546631.db2.gz QSYFVPQXSFYGIO-VXGBXAGGSA-N 1 3 206.333 2.129 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000086401863 538104158 /nfs/dbraw/zinc/10/41/58/538104158.db2.gz GUBGSODFOXBQMU-POOIEITISA-N 1 3 210.365 2.425 20 0 BEADHO [NH3+]C1CCN(CCCOCc2ccccc2)CC1 ZINC000140139302 353114475 /nfs/dbraw/zinc/11/44/75/353114475.db2.gz BCHKDPNAVBVBHY-UHFFFAOYSA-N 1 3 248.370 2.016 20 0 BEADHO CNC[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC000414846777 259434211 /nfs/dbraw/zinc/43/42/11/259434211.db2.gz VEORWQPAWOGFJI-OTTFEQOBSA-N 1 3 212.381 2.258 20 0 BEADHO CC(C)[NH+]1CCC(NCC2(C(F)F)CC2)CC1 ZINC000355172937 188063940 /nfs/dbraw/zinc/06/39/40/188063940.db2.gz XVYILFQNYYOIFH-UHFFFAOYSA-N 1 3 246.345 2.494 20 0 BEADHO C[NH+](C)CCCCNCc1ccc(F)cc1F ZINC000045598361 353146444 /nfs/dbraw/zinc/14/64/44/353146444.db2.gz SXJMNRLAPNSHFL-UHFFFAOYSA-N 1 3 242.313 2.396 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000304514159 188076723 /nfs/dbraw/zinc/07/67/23/188076723.db2.gz DSHXKISDGOSVPJ-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000086252921 188143403 /nfs/dbraw/zinc/14/34/03/188143403.db2.gz CYDBNXSONJUZMV-CQSZACIVSA-N 1 3 235.375 2.225 20 0 BEADHO CC(C)[N@H+](C[C@H]1CCCNC1)C1CCC1 ZINC000226438880 188155330 /nfs/dbraw/zinc/15/53/30/188155330.db2.gz JIPCKVPNJISPOK-LBPRGKRZSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[N@@H+](C[C@H]1CCCNC1)C1CCC1 ZINC000226438880 188155332 /nfs/dbraw/zinc/15/53/32/188155332.db2.gz JIPCKVPNJISPOK-LBPRGKRZSA-N 1 3 210.365 2.249 20 0 BEADHO C1C[C@H]2C[C@@H]([NH2+]C3CCSCC3)CCN2C1 ZINC000106868998 188166874 /nfs/dbraw/zinc/16/68/74/188166874.db2.gz IRSLVGSOGWWFBB-STQMWFEESA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@H]2C[C@@H](NC3CCSCC3)CC[N@@H+]2C1 ZINC000106868998 188166876 /nfs/dbraw/zinc/16/68/76/188166876.db2.gz IRSLVGSOGWWFBB-STQMWFEESA-N 1 3 240.416 2.098 20 0 BEADHO C1C[C@H]2C[C@@H](NC3CCSCC3)CC[N@H+]2C1 ZINC000106868998 188166877 /nfs/dbraw/zinc/16/68/77/188166877.db2.gz IRSLVGSOGWWFBB-STQMWFEESA-N 1 3 240.416 2.098 20 0 BEADHO CCC[C@H](CC)[NH2+]CC1=CCN(C)CC1 ZINC000309189371 188167690 /nfs/dbraw/zinc/16/76/90/188167690.db2.gz PLTSJPCQCDBZMA-ZDUSSCGKSA-N 1 3 210.365 2.417 20 0 BEADHO CC(C)[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062077835 188184262 /nfs/dbraw/zinc/18/42/62/188184262.db2.gz LXJWVAASEMDHFG-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000251834493 353292871 /nfs/dbraw/zinc/29/28/71/353292871.db2.gz QFISPLDUTYATLE-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000251834493 353292874 /nfs/dbraw/zinc/29/28/74/353292874.db2.gz QFISPLDUTYATLE-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227057964 363227194 /nfs/dbraw/zinc/22/71/94/363227194.db2.gz SNXWKUQNDKWVLI-QWRGUYRKSA-N 1 3 224.373 2.226 20 0 BEADHO CC[C@](C)(C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106208 353621387 /nfs/dbraw/zinc/62/13/87/353621387.db2.gz XBUPFOKVWHUAPX-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@](C)(C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106208 353621390 /nfs/dbraw/zinc/62/13/90/353621390.db2.gz XBUPFOKVWHUAPX-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@](C)(CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106208 353621394 /nfs/dbraw/zinc/62/13/94/353621394.db2.gz XBUPFOKVWHUAPX-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1cccs1 ZINC000517731002 324176052 /nfs/dbraw/zinc/17/60/52/324176052.db2.gz YLTGVHBNWHRBSJ-RYUDHWBXSA-N 1 3 224.373 2.150 20 0 BEADHO C[C@@H]1C[C@@H]1CN(C)CCC[NH+]1CCCC1 ZINC000343614023 353933735 /nfs/dbraw/zinc/93/37/35/353933735.db2.gz IPDSJZKCPKORNS-CHWSQXEVSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H](CCc1ccccc1)[NH2+]C1CCNCC1 ZINC000038040707 358481888 /nfs/dbraw/zinc/48/18/88/358481888.db2.gz OXLJIAUWRDGAGR-ZDUSSCGKSA-N 1 3 232.371 2.349 20 0 BEADHO C[C@@H](CCc1ccccc1)NC1CC[NH2+]CC1 ZINC000038040707 358481895 /nfs/dbraw/zinc/48/18/95/358481895.db2.gz OXLJIAUWRDGAGR-ZDUSSCGKSA-N 1 3 232.371 2.349 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C(C)C)C1 ZINC000230267721 363300809 /nfs/dbraw/zinc/30/08/09/363300809.db2.gz QERJDOVKCVVVFU-CHWSQXEVSA-N 1 3 212.381 2.338 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000334582735 354203061 /nfs/dbraw/zinc/20/30/61/354203061.db2.gz OEJHPBVVMRLVCJ-GFCCVEGCSA-N 1 3 246.345 2.448 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC000334582735 354203065 /nfs/dbraw/zinc/20/30/65/354203065.db2.gz OEJHPBVVMRLVCJ-GFCCVEGCSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H](C[NH2+]C1CC(C)C1)CN1CCCC1 ZINC000231787573 363354011 /nfs/dbraw/zinc/35/40/11/363354011.db2.gz PZZWEOMDOOYIPO-OTTFEQOBSA-N 1 3 210.365 2.106 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000235179120 363438494 /nfs/dbraw/zinc/43/84/94/363438494.db2.gz LWHJZQPGTBQJFM-NEPJUHHUSA-N 1 3 230.421 2.237 20 0 BEADHO Cc1cc(Cl)ccc1CN[C@H](C)CC[NH3+] ZINC000235441726 363443663 /nfs/dbraw/zinc/44/36/63/363443663.db2.gz GBMCJVRXFAIKST-SNVBAGLBSA-N 1 3 226.751 2.475 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215934 355054384 /nfs/dbraw/zinc/05/43/84/355054384.db2.gz KORIKVQSEDSUNM-KBPBESRZSA-N 1 3 241.338 2.204 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccs1 ZINC000335217869 355056427 /nfs/dbraw/zinc/05/64/27/355056427.db2.gz MDHNVSLRAMQJGP-NWDGAFQWSA-N 1 3 224.373 2.498 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccs1 ZINC000335219643 355059396 /nfs/dbraw/zinc/05/93/96/355059396.db2.gz UNCJWUNSANICJT-JQWIXIFHSA-N 1 3 224.373 2.226 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C[C@@H](C)C1 ZINC000346972751 355208514 /nfs/dbraw/zinc/20/85/14/355208514.db2.gz HXPYBTDNWFWDFX-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C[C@@H](C)C1 ZINC000346972751 355208516 /nfs/dbraw/zinc/20/85/16/355208516.db2.gz HXPYBTDNWFWDFX-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO C1CC1[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000335253589 355210958 /nfs/dbraw/zinc/21/09/58/355210958.db2.gz YJCOYMSYPQORNK-UONOGXRCSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H]3CCCNC3)C2)C1 ZINC000347000067 355196754 /nfs/dbraw/zinc/19/67/54/355196754.db2.gz YKRJHKIOIJPCIJ-QLFBSQMISA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCNC3)C2)C1 ZINC000347000067 355196757 /nfs/dbraw/zinc/19/67/57/355196757.db2.gz YKRJHKIOIJPCIJ-QLFBSQMISA-N 1 3 236.403 2.498 20 0 BEADHO CCC(CC)(CC)C[N@H+](C)CCCN ZINC000395117050 355519482 /nfs/dbraw/zinc/51/94/82/355519482.db2.gz HJPZGCVMPHQBGC-UHFFFAOYSA-N 1 3 200.370 2.483 20 0 BEADHO CCC(CC)(CC)C[N@@H+](C)CCCN ZINC000395117050 355519483 /nfs/dbraw/zinc/51/94/83/355519483.db2.gz HJPZGCVMPHQBGC-UHFFFAOYSA-N 1 3 200.370 2.483 20 0 BEADHO CCC(CC)(CC)CN(C)CCC[NH3+] ZINC000395117050 355519484 /nfs/dbraw/zinc/51/94/84/355519484.db2.gz HJPZGCVMPHQBGC-UHFFFAOYSA-N 1 3 200.370 2.483 20 0 BEADHO CC(C)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000335837722 355566405 /nfs/dbraw/zinc/56/64/05/355566405.db2.gz NYCBVLMCRPBMAQ-OLZOCXBDSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CCS1 ZINC000335837722 355566407 /nfs/dbraw/zinc/56/64/07/355566407.db2.gz NYCBVLMCRPBMAQ-OLZOCXBDSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CCS1 ZINC000335837722 355566410 /nfs/dbraw/zinc/56/64/10/355566410.db2.gz NYCBVLMCRPBMAQ-OLZOCXBDSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000335837729 355566510 /nfs/dbraw/zinc/56/65/10/355566510.db2.gz NYCBVLMCRPBMAQ-STQMWFEESA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@@H]1C[N@H+](C[C@H]2CCCNC2)CCS1 ZINC000335837729 355566513 /nfs/dbraw/zinc/56/65/13/355566513.db2.gz NYCBVLMCRPBMAQ-STQMWFEESA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CCS1 ZINC000335837729 355566517 /nfs/dbraw/zinc/56/65/17/355566517.db2.gz NYCBVLMCRPBMAQ-STQMWFEESA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)C[NH+]1CCC(N2CCCC2)CC1 ZINC000051952477 355754180 /nfs/dbraw/zinc/75/41/80/355754180.db2.gz BCTFHMHOZZZEBO-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CS[C@@H]1CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000425363009 191822649 /nfs/dbraw/zinc/82/26/49/191822649.db2.gz WFKKQDPTYQOXTJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](CN)C[C@@H]2C)c1C ZINC000216010436 355795698 /nfs/dbraw/zinc/79/56/98/355795698.db2.gz USOJHFQEAMHYFS-JSGCOSHPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)c1C ZINC000216010436 355795702 /nfs/dbraw/zinc/79/57/02/355795702.db2.gz USOJHFQEAMHYFS-JSGCOSHPSA-N 1 3 232.371 2.473 20 0 BEADHO CCC1([NH+](C)C)CCN(C[C@H]2C[C@H]2C)CC1 ZINC000639378187 355911528 /nfs/dbraw/zinc/91/15/28/355911528.db2.gz FAHVPWONPKWEMS-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CCC1(N(C)C)CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000639378187 355911531 /nfs/dbraw/zinc/91/15/31/355911531.db2.gz FAHVPWONPKWEMS-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CCC1(N(C)C)CC[NH+](C[C@H](C)COC)CC1 ZINC000639378559 355912556 /nfs/dbraw/zinc/91/25/56/355912556.db2.gz IHUXBOLYKKLTIB-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000351882133 356120342 /nfs/dbraw/zinc/12/03/42/356120342.db2.gz PAWWWSODHUGBPX-RWMBFGLXSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H](F)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000351882133 356120344 /nfs/dbraw/zinc/12/03/44/356120344.db2.gz PAWWWSODHUGBPX-RWMBFGLXSA-N 1 3 228.355 2.151 20 0 BEADHO Cc1ccc(CCN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861977 356099096 /nfs/dbraw/zinc/09/90/96/356099096.db2.gz MRYFCJPGDDJQNY-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO CCc1ccc(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861575 356099463 /nfs/dbraw/zinc/09/94/63/356099463.db2.gz KRIDWAGZXOIVOM-CZUORRHYSA-N 1 3 246.398 2.461 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264619 192191444 /nfs/dbraw/zinc/19/14/44/192191444.db2.gz ASGMHYVCUFFGLO-DZGCQCFKSA-N 1 3 247.386 2.216 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264619 192191446 /nfs/dbraw/zinc/19/14/46/192191446.db2.gz ASGMHYVCUFFGLO-DZGCQCFKSA-N 1 3 247.386 2.216 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264623 192192097 /nfs/dbraw/zinc/19/20/97/192192097.db2.gz ASGMHYVCUFFGLO-ZFWWWQNUSA-N 1 3 247.386 2.216 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264623 192192100 /nfs/dbraw/zinc/19/21/00/192192100.db2.gz ASGMHYVCUFFGLO-ZFWWWQNUSA-N 1 3 247.386 2.216 20 0 BEADHO FCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420353211 192216939 /nfs/dbraw/zinc/21/69/39/192216939.db2.gz AWIPWJCWBVNYKN-ZDUSSCGKSA-N 1 3 228.355 2.202 20 0 BEADHO CCc1cccc(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000420307793 192209302 /nfs/dbraw/zinc/20/93/02/192209302.db2.gz CLLGXNGOGBVXLF-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1cccc(C[N@@H+]2CC[C@](C)(CN)C2)c1 ZINC000420307793 192209305 /nfs/dbraw/zinc/20/93/05/192209305.db2.gz CLLGXNGOGBVXLF-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1cccc(C[N@H+]2CC[C@](C)(CN)C2)c1 ZINC000420307793 192209307 /nfs/dbraw/zinc/20/93/07/192209307.db2.gz CLLGXNGOGBVXLF-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CN(CCCc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000420305029 192209746 /nfs/dbraw/zinc/20/97/46/192209746.db2.gz FTQKTLGMZMGRSD-HNNXBMFYSA-N 1 3 247.386 2.088 20 0 BEADHO C[N@H+](CCCc1ccncc1)[C@H]1CCCNCC1 ZINC000420305029 192209748 /nfs/dbraw/zinc/20/97/48/192209748.db2.gz FTQKTLGMZMGRSD-HNNXBMFYSA-N 1 3 247.386 2.088 20 0 BEADHO C[N@@H+](CCCc1ccncc1)[C@H]1CCCNCC1 ZINC000420305029 192209749 /nfs/dbraw/zinc/20/97/49/192209749.db2.gz FTQKTLGMZMGRSD-HNNXBMFYSA-N 1 3 247.386 2.088 20 0 BEADHO CCc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420311388 192211374 /nfs/dbraw/zinc/21/13/74/192211374.db2.gz RBDVXMNDVUEMCZ-ARFHVFGLSA-N 1 3 244.382 2.418 20 0 BEADHO CCc1cccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000420317232 192212258 /nfs/dbraw/zinc/21/22/58/192212258.db2.gz MRSUGQPYIOETSF-WFASDCNBSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1cccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000420317224 192212263 /nfs/dbraw/zinc/21/22/63/192212263.db2.gz MRSUGQPYIOETSF-IUODEOHRSA-N 1 3 232.371 2.418 20 0 BEADHO c1ccc(CN(CC[C@@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000420370798 192227443 /nfs/dbraw/zinc/22/74/43/192227443.db2.gz ZEOHVOXRPRNUCI-ZDUSSCGKSA-N 1 3 245.370 2.046 20 0 BEADHO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)N ZINC000420356963 192220055 /nfs/dbraw/zinc/22/00/55/192220055.db2.gz HIDGLPDBINMSMK-BXUZGUMPSA-N 1 3 218.344 2.171 20 0 BEADHO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)N ZINC000420356963 192220057 /nfs/dbraw/zinc/22/00/57/192220057.db2.gz HIDGLPDBINMSMK-BXUZGUMPSA-N 1 3 218.344 2.171 20 0 BEADHO Cc1ccc([C@]2(C)CC[N@@H+](C[C@H](C)N)C2)cc1 ZINC000420357479 192220544 /nfs/dbraw/zinc/22/05/44/192220544.db2.gz HYDPUFQKESKLMN-DZGCQCFKSA-N 1 3 232.371 2.306 20 0 BEADHO Cc1ccc([C@]2(C)CC[N@H+](C[C@H](C)N)C2)cc1 ZINC000420357479 192220546 /nfs/dbraw/zinc/22/05/46/192220546.db2.gz HYDPUFQKESKLMN-DZGCQCFKSA-N 1 3 232.371 2.306 20 0 BEADHO C[NH2+]CCCN1CCCC2(CCCC2)C1 ZINC000420368955 192225540 /nfs/dbraw/zinc/22/55/40/192225540.db2.gz XDGNLAXFVCWCDG-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO CNCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000420368955 192225542 /nfs/dbraw/zinc/22/55/42/192225542.db2.gz XDGNLAXFVCWCDG-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO CNCCC[N@H+]1CCCC2(CCCC2)C1 ZINC000420368955 192225543 /nfs/dbraw/zinc/22/55/43/192225543.db2.gz XDGNLAXFVCWCDG-UHFFFAOYSA-N 1 3 210.365 2.252 20 0 BEADHO Cc1cccc([C@H](C)NCCC[NH3+])c1C ZINC000420419144 192240363 /nfs/dbraw/zinc/24/03/63/192240363.db2.gz XGDFJHVXJTXPKE-LBPRGKRZSA-N 1 3 206.333 2.303 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1F ZINC000420415724 192241437 /nfs/dbraw/zinc/24/14/37/192241437.db2.gz VDEJXEXJHUWWKI-NXEZZACHSA-N 1 3 210.296 2.132 20 0 BEADHO CS[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C(C)(C)C ZINC000423038978 192547743 /nfs/dbraw/zinc/54/77/43/192547743.db2.gz ZKLSFPRWHKQNJU-GRYCIOLGSA-N 1 3 244.448 2.481 20 0 BEADHO CCc1cc(NC[C@@H](C)[NH+](CC)CC)ccn1 ZINC000450252110 202109338 /nfs/dbraw/zinc/10/93/38/202109338.db2.gz XLUQWMQJZCEIPG-GFCCVEGCSA-N 1 3 235.375 2.208 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC12CCCC2 ZINC000423077822 192561179 /nfs/dbraw/zinc/56/11/79/192561179.db2.gz URYXGSABJVWXEI-SRVKXCTJSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc2[nH]ccc2c1 ZINC000423109805 192572162 /nfs/dbraw/zinc/57/21/62/192572162.db2.gz UZBWRDWZCJNXPJ-RYUDHWBXSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423109805 192572165 /nfs/dbraw/zinc/57/21/65/192572165.db2.gz UZBWRDWZCJNXPJ-RYUDHWBXSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C[NH3+] ZINC000167770713 134153656 /nfs/dbraw/zinc/15/36/56/134153656.db2.gz OYSUCDPVLWUZII-HIFRSBDPSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H]1CC[N@H+](CCc2ccccc2)C[C@@H]1CN ZINC000167770713 134153657 /nfs/dbraw/zinc/15/36/57/134153657.db2.gz OYSUCDPVLWUZII-HIFRSBDPSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@H]1CN ZINC000167770713 134153658 /nfs/dbraw/zinc/15/36/58/134153658.db2.gz OYSUCDPVLWUZII-HIFRSBDPSA-N 1 3 232.371 2.146 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCF ZINC000423139474 192582904 /nfs/dbraw/zinc/58/29/04/192582904.db2.gz KVOUWFBOBZYXAB-JTQLQIEISA-N 1 3 239.338 2.249 20 0 BEADHO C([NH2+]CC1CCCCCC1)[C@@H]1CCCN1 ZINC000389491879 356693538 /nfs/dbraw/zinc/69/35/38/356693538.db2.gz SOVNKPINPKOWBH-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO CCc1cc(N2CC[C@@H](C[N@@H+](C)CC)C2)ccn1 ZINC000450364886 202143957 /nfs/dbraw/zinc/14/39/57/202143957.db2.gz ZINIEGIMIGRCAD-ZDUSSCGKSA-N 1 3 247.386 2.422 20 0 BEADHO CCc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)ccn1 ZINC000450364886 202143959 /nfs/dbraw/zinc/14/39/59/202143959.db2.gz ZINIEGIMIGRCAD-ZDUSSCGKSA-N 1 3 247.386 2.422 20 0 BEADHO CCOCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166221850 538616817 /nfs/dbraw/zinc/61/68/17/538616817.db2.gz SFEZTFSMGHFBTK-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166221850 538616822 /nfs/dbraw/zinc/61/68/22/538616822.db2.gz SFEZTFSMGHFBTK-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000166221850 538616828 /nfs/dbraw/zinc/61/68/28/538616828.db2.gz SFEZTFSMGHFBTK-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO CC1(C)C[C@H](NCCC[NH3+])c2ccccc21 ZINC000423175069 192608313 /nfs/dbraw/zinc/60/83/13/192608313.db2.gz CTSJGONPHKGKMM-ZDUSSCGKSA-N 1 3 218.344 2.347 20 0 BEADHO C[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000257788958 538766998 /nfs/dbraw/zinc/76/69/98/538766998.db2.gz NZDCISWSDGIBJO-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@H]2CCCCNC2)C1 ZINC000257788958 538767004 /nfs/dbraw/zinc/76/70/04/538767004.db2.gz NZDCISWSDGIBJO-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@H]2CCCCNC2)C1 ZINC000257788958 538767009 /nfs/dbraw/zinc/76/70/09/538767009.db2.gz NZDCISWSDGIBJO-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423210432 192628671 /nfs/dbraw/zinc/62/86/71/192628671.db2.gz GHASCPWWXBKDCY-RFGFWPKPSA-N 1 3 224.392 2.399 20 0 BEADHO CNC[C@H](C)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000423269138 192662607 /nfs/dbraw/zinc/66/26/07/192662607.db2.gz GSHSMNARHZMQGW-SRVKXCTJSA-N 1 3 212.381 2.256 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425707 357253401 /nfs/dbraw/zinc/25/34/01/357253401.db2.gz SNBGIOCXBXMITM-APIJFGDWSA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000381465731 357264286 /nfs/dbraw/zinc/26/42/86/357264286.db2.gz LDDZZYCVWBMIAG-CHWSQXEVSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1C[C@H](C)c2ccccc21 ZINC000423299618 192688533 /nfs/dbraw/zinc/68/85/33/192688533.db2.gz CCRWVTQJACDXOC-SUNKGSAMSA-N 1 3 218.344 2.419 20 0 BEADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCNC(C)C ZINC000582899113 357425291 /nfs/dbraw/zinc/42/52/91/357425291.db2.gz YQPPILHVGODZGU-ZIAGYGMSSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H](NCCCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000395242879 357429331 /nfs/dbraw/zinc/42/93/31/357429331.db2.gz RCZHWKDCNVBHNX-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccsc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000582915656 357436565 /nfs/dbraw/zinc/43/65/65/357436565.db2.gz IJSIHIILWSZDFG-RYUDHWBXSA-N 1 3 238.400 2.459 20 0 BEADHO Cc1ccsc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000582915656 357436571 /nfs/dbraw/zinc/43/65/71/357436571.db2.gz IJSIHIILWSZDFG-RYUDHWBXSA-N 1 3 238.400 2.459 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)CC(F)(F)F ZINC000396919797 357486728 /nfs/dbraw/zinc/48/67/28/357486728.db2.gz XUPDRWOPZDZLRH-GUBZILKMSA-N 1 3 238.297 2.434 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)CC(F)(F)F ZINC000396919795 357486937 /nfs/dbraw/zinc/48/69/37/357486937.db2.gz XUPDRWOPZDZLRH-AEJSXWLSSA-N 1 3 238.297 2.434 20 0 BEADHO Cc1cc(C)c(CN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000396976194 357487964 /nfs/dbraw/zinc/48/79/64/357487964.db2.gz KIGTZSXIGROPKK-ZIAGYGMSSA-N 1 3 233.359 2.058 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC(F)(F)F ZINC000063099445 357525533 /nfs/dbraw/zinc/52/55/33/357525533.db2.gz SFDKIKCLOXLEAA-KXUCPTDWSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC(F)(F)F ZINC000063099445 357525539 /nfs/dbraw/zinc/52/55/39/357525539.db2.gz SFDKIKCLOXLEAA-KXUCPTDWSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@H](NCCCC[NH3+])c1cccc(F)c1F ZINC000235513363 357874434 /nfs/dbraw/zinc/87/44/34/357874434.db2.gz ALPGLMSRKMEZPN-VIFPVBQESA-N 1 3 228.286 2.354 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000584479863 357996667 /nfs/dbraw/zinc/99/66/67/357996667.db2.gz KAGOQDYEWBIYRC-FQUUOJAGSA-N 1 3 222.376 2.282 20 0 BEADHO COCc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000584517358 358028909 /nfs/dbraw/zinc/02/89/09/358028909.db2.gz VXYYTBQSEBVEFX-CABCVRRESA-N 1 3 248.370 2.193 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1(C)CC1 ZINC000336762971 491119536 /nfs/dbraw/zinc/11/95/36/491119536.db2.gz ONSGARBCBUNADC-NSHDSACASA-N 1 3 208.349 2.027 20 0 BEADHO NCc1ccccc1OCCC[NH+]1CCCCC1 ZINC000037049934 358065273 /nfs/dbraw/zinc/06/52/73/358065273.db2.gz BKTPKSBHCYPRNC-UHFFFAOYSA-N 1 3 248.370 2.400 20 0 BEADHO c1cc(CCN[C@@H]2CCC[NH2+]CC2)cs1 ZINC000168737065 134248070 /nfs/dbraw/zinc/24/80/70/134248070.db2.gz PRHXSLGVSFULGJ-GFCCVEGCSA-N 1 3 224.373 2.022 20 0 BEADHO CCC1(N(C)C)CC[NH+]([C@H](C)CCOC)CC1 ZINC000640017302 358080573 /nfs/dbraw/zinc/08/05/73/358080573.db2.gz LVHGTJMICKNWTA-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO CCOC[C@H]1CCCC[N@@H+]1C[C@@H](N)CC(C)C ZINC000313209145 491120613 /nfs/dbraw/zinc/12/06/13/491120613.db2.gz GRCNVRYAYXFQGG-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CCOC[C@H]1CCCC[N@H+]1C[C@@H](N)CC(C)C ZINC000313209145 491120614 /nfs/dbraw/zinc/12/06/14/491120614.db2.gz GRCNVRYAYXFQGG-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000583882364 358117105 /nfs/dbraw/zinc/11/71/05/358117105.db2.gz DLJQDDXYFLUMFU-FVCCEPFGSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583882364 358117107 /nfs/dbraw/zinc/11/71/07/358117107.db2.gz DLJQDDXYFLUMFU-FVCCEPFGSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)CN1CCC([NH2+]CC2(C)CC2)CC1 ZINC000223814631 358227217 /nfs/dbraw/zinc/22/72/17/358227217.db2.gz QRYPYUGCDFGZJL-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000224969717 358242092 /nfs/dbraw/zinc/24/20/92/358242092.db2.gz KUSBPPIWHCNXCD-OLZOCXBDSA-N 1 3 228.380 2.051 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)C2)C1 ZINC000227200139 358350571 /nfs/dbraw/zinc/35/05/71/358350571.db2.gz ALEZIGMLRIHGLW-MGPQQGTHSA-N 1 3 224.392 2.495 20 0 BEADHO CC[NH+]1CCC(CN[C@H](C)c2ccccn2)CC1 ZINC000044517425 358388806 /nfs/dbraw/zinc/38/88/06/358388806.db2.gz TVYZFDAMCFSEPY-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO COc1ccccc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230285255 358396792 /nfs/dbraw/zinc/39/67/92/358396792.db2.gz BCBHWHHXBKJTFL-ZIAGYGMSSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000230285255 358396795 /nfs/dbraw/zinc/39/67/95/358396795.db2.gz BCBHWHHXBKJTFL-ZIAGYGMSSA-N 1 3 248.370 2.097 20 0 BEADHO CCN(CC)CCC[NH2+]C1CCC(OC)CC1 ZINC000129820355 358599223 /nfs/dbraw/zinc/59/92/23/358599223.db2.gz ARKDGMITUPTASJ-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO FCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000133773917 358767279 /nfs/dbraw/zinc/76/72/79/358767279.db2.gz LRHXNOIBNDIKER-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO FCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000133773917 358767281 /nfs/dbraw/zinc/76/72/81/358767281.db2.gz LRHXNOIBNDIKER-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO CCC[C@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000134363910 358787845 /nfs/dbraw/zinc/78/78/45/358787845.db2.gz BAPHXZMXAWXCAQ-RDBSUJKOSA-N 1 3 242.407 2.048 20 0 BEADHO CCCOc1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000136133130 358865324 /nfs/dbraw/zinc/86/53/24/358865324.db2.gz HSCCLXSNVSMCDB-LBPRGKRZSA-N 1 3 236.359 2.302 20 0 BEADHO Cc1ccncc1C[NH2+]CC(C)(C)CN(C)C ZINC000135429763 358837099 /nfs/dbraw/zinc/83/70/99/358837099.db2.gz KDHLSJHSAMTAHZ-UHFFFAOYSA-N 1 3 235.375 2.067 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1CNC1 ZINC000423308748 192695305 /nfs/dbraw/zinc/69/53/05/192695305.db2.gz YGFAEYZJSZHEQQ-NWDGAFQWSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000086404361 358968262 /nfs/dbraw/zinc/96/82/62/358968262.db2.gz SMPRYMGHYAGJJI-KGYLQXTDSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178038464 134302502 /nfs/dbraw/zinc/30/25/02/134302502.db2.gz YQGKXZDJLNVYKF-MCIONIFRSA-N 1 3 242.407 2.264 20 0 BEADHO CCCCOCCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000247102393 359194013 /nfs/dbraw/zinc/19/40/13/359194013.db2.gz SLKJOVXCXFVEHJ-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCCCOCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247102393 359194015 /nfs/dbraw/zinc/19/40/15/359194015.db2.gz SLKJOVXCXFVEHJ-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000423374931 192751670 /nfs/dbraw/zinc/75/16/70/192751670.db2.gz UCTBTNVHIILGEC-YVECIDJPSA-N 1 3 208.349 2.035 20 0 BEADHO C[NH+](C)CC[C@H](NC1CSC1)C(C)(C)C ZINC000309035913 491143060 /nfs/dbraw/zinc/14/30/60/491143060.db2.gz IAZVAQLNOOESHW-NSHDSACASA-N 1 3 230.421 2.058 20 0 BEADHO CCC1(CC)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000087254628 359904112 /nfs/dbraw/zinc/90/41/12/359904112.db2.gz XJBCAXZXKGEGOI-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1(CC)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000087254628 359904117 /nfs/dbraw/zinc/90/41/17/359904117.db2.gz XJBCAXZXKGEGOI-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO [NH3+]CCCN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816276 359930870 /nfs/dbraw/zinc/93/08/70/359930870.db2.gz IDGBLAWSGCUFHK-AWEZNQCLSA-N 1 3 243.354 2.484 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000089139563 359991875 /nfs/dbraw/zinc/99/18/75/359991875.db2.gz JVHGYNWOXVOSFF-CABCVRRESA-N 1 3 232.371 2.336 20 0 BEADHO CC(C)COCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089140448 359992616 /nfs/dbraw/zinc/99/26/16/359992616.db2.gz OWIPJBZMQJSRIS-ZIAGYGMSSA-N 1 3 242.407 2.156 20 0 BEADHO COCc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089150220 359993883 /nfs/dbraw/zinc/99/38/83/359993883.db2.gz BWKLLHWGOGOJMA-HUUCEWRRSA-N 1 3 248.370 2.050 20 0 BEADHO COCc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089150221 359994202 /nfs/dbraw/zinc/99/42/02/359994202.db2.gz BWKLLHWGOGOJMA-CABCVRRESA-N 1 3 248.370 2.050 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000089147660 359994287 /nfs/dbraw/zinc/99/42/87/359994287.db2.gz QCDFXZQLANPMIM-HUUCEWRRSA-N 1 3 232.371 2.336 20 0 BEADHO COCC[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516652 360256106 /nfs/dbraw/zinc/25/61/06/360256106.db2.gz BFGHGHSGWPHYNT-IHRRRGAJSA-N 1 3 242.407 2.312 20 0 BEADHO COCCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093521207 360256143 /nfs/dbraw/zinc/25/61/43/360256143.db2.gz SIJOKKXHBTZBHP-UONOGXRCSA-N 1 3 242.407 2.313 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638604 360264263 /nfs/dbraw/zinc/26/42/63/360264263.db2.gz SOSJBCTXEKGYBI-TZMCWYRMSA-N 1 3 236.359 2.442 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccco2)[C@H](C)C1 ZINC000093638604 360264266 /nfs/dbraw/zinc/26/42/66/360264266.db2.gz SOSJBCTXEKGYBI-TZMCWYRMSA-N 1 3 236.359 2.442 20 0 BEADHO Cc1cncc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623475173 360421278 /nfs/dbraw/zinc/42/12/78/360421278.db2.gz CWZMNSJAMOQEFO-AWEZNQCLSA-N 1 3 247.386 2.352 20 0 BEADHO CC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000161779187 360552855 /nfs/dbraw/zinc/55/28/55/360552855.db2.gz YACIYMGCMGWNQR-PYNQCMFNSA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000161779187 360552858 /nfs/dbraw/zinc/55/28/58/360552858.db2.gz YACIYMGCMGWNQR-PYNQCMFNSA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000161779187 360552862 /nfs/dbraw/zinc/55/28/62/360552862.db2.gz YACIYMGCMGWNQR-PYNQCMFNSA-N 1 3 208.349 2.001 20 0 BEADHO [NH3+][C@@H](CNC[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000414895611 200777056 /nfs/dbraw/zinc/77/70/56/200777056.db2.gz YEINCCNDHZINHT-KKUMJFAQSA-N 1 3 230.355 2.117 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000086403284 325614535 /nfs/dbraw/zinc/61/45/35/325614535.db2.gz WDQFDVNLLKGOGP-CHWSQXEVSA-N 1 3 210.365 2.426 20 0 BEADHO CC1(C)CC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000629385198 361032350 /nfs/dbraw/zinc/03/23/50/361032350.db2.gz UJXFKIPLABSZAY-NEPJUHHUSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000629406192 361053394 /nfs/dbraw/zinc/05/33/94/361053394.db2.gz JYBWYRSPHTXCHH-MRBYEJRBSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1CCNC1 ZINC000629409924 361058548 /nfs/dbraw/zinc/05/85/48/361058548.db2.gz YIYUXJRZJZTJPX-JHJVBQTASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[C@@H]1C1CC1 ZINC000629408446 361059425 /nfs/dbraw/zinc/05/94/25/361059425.db2.gz VIYKHVQXOSAOTN-ASEORRQLSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000629408446 361059429 /nfs/dbraw/zinc/05/94/29/361059429.db2.gz VIYKHVQXOSAOTN-ASEORRQLSA-N 1 3 222.376 2.295 20 0 BEADHO Cc1ccccc1[C@@H](C)[NH2+]CC1(N)CCOCC1 ZINC000629525236 361125881 /nfs/dbraw/zinc/12/58/81/361125881.db2.gz YXVSZCAWXDESOH-CYBMUJFWSA-N 1 3 248.370 2.154 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000622044343 370673086 /nfs/dbraw/zinc/67/30/86/370673086.db2.gz BHYIOSHLSYMADQ-TUUUFIMRSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1C(C)(C)C1(C)C ZINC000629543522 361411038 /nfs/dbraw/zinc/41/10/38/361411038.db2.gz BALBVDQWDQMGLM-HBNTYKKESA-N 1 3 224.392 2.397 20 0 BEADHO Cc1cc([C@H](C)NCCOCCC[NH3+])cs1 ZINC000629535878 361411626 /nfs/dbraw/zinc/41/16/26/361411626.db2.gz DIJFGDACHCFXGS-NSHDSACASA-N 1 3 242.388 2.073 20 0 BEADHO CCC[C@@](C)(N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429573222 201117282 /nfs/dbraw/zinc/11/72/82/201117282.db2.gz YFXOGACSBNCGFM-QMTHXVAHSA-N 1 3 249.358 2.162 20 0 BEADHO CC[C@@H](NCCOCCC[NH3+])c1ccsc1 ZINC000629540777 361415211 /nfs/dbraw/zinc/41/52/11/361415211.db2.gz XNKBJTAAMUKLKF-GFCCVEGCSA-N 1 3 242.388 2.154 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000629546487 361427410 /nfs/dbraw/zinc/42/74/10/361427410.db2.gz QBMTXZAWZOOYET-KSSYENDESA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C ZINC000629549017 361435602 /nfs/dbraw/zinc/43/56/02/361435602.db2.gz UJQNYZFWILOUOC-RWMBFGLXSA-N 1 3 210.365 2.461 20 0 BEADHO Cc1ccccc1[C@H](C)NCCOCCC[NH3+] ZINC000629541960 361417563 /nfs/dbraw/zinc/41/75/63/361417563.db2.gz VBFAPJCBIQISKT-ZDUSSCGKSA-N 1 3 236.359 2.011 20 0 BEADHO C[C@H]([NH3+])c1ccc(CNCc2ccn(C)c2)cc1 ZINC000629648670 361541836 /nfs/dbraw/zinc/54/18/36/361541836.db2.gz YTMIPDIPDULOQS-LBPRGKRZSA-N 1 3 243.354 2.335 20 0 BEADHO C[NH2+]CCCN1C[C@H](c2ccccc2)C[C@H]1C ZINC000435871732 201292900 /nfs/dbraw/zinc/29/29/00/201292900.db2.gz LJDMVYQHYQLNOR-UKRRQHHQSA-N 1 3 232.371 2.474 20 0 BEADHO C[NH2+]CCCN1CC[C@H](c2ccccc2C)C1 ZINC000435875487 201293689 /nfs/dbraw/zinc/29/36/89/201293689.db2.gz DBQRCQSKZJDGQY-AWEZNQCLSA-N 1 3 232.371 2.394 20 0 BEADHO CNCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000435875487 201293690 /nfs/dbraw/zinc/29/36/90/201293690.db2.gz DBQRCQSKZJDGQY-AWEZNQCLSA-N 1 3 232.371 2.394 20 0 BEADHO CNCCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000435875487 201293693 /nfs/dbraw/zinc/29/36/93/201293693.db2.gz DBQRCQSKZJDGQY-AWEZNQCLSA-N 1 3 232.371 2.394 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000437771099 201371656 /nfs/dbraw/zinc/37/16/56/201371656.db2.gz GSVFCTLJGAUSLQ-LSDHHAIUSA-N 1 3 232.371 2.336 20 0 BEADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCN ZINC000437767721 201371739 /nfs/dbraw/zinc/37/17/39/201371739.db2.gz AXUWZYVOHDCIOC-NSHDSACASA-N 1 3 224.323 2.085 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156110629 201399323 /nfs/dbraw/zinc/39/93/23/201399323.db2.gz DPVZYFJCQRJZFN-MGPQQGTHSA-N 1 3 224.392 2.495 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C)C1 ZINC000170793358 364245104 /nfs/dbraw/zinc/24/51/04/364245104.db2.gz ROUJKXLTOJKVGX-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@H+]1CCC[C@H](C)C1 ZINC000170793358 364245107 /nfs/dbraw/zinc/24/51/07/364245107.db2.gz ROUJKXLTOJKVGX-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO CC1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000398971072 364400867 /nfs/dbraw/zinc/40/08/67/364400867.db2.gz WBDZXLQYWUOUOZ-KPFVRQRISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1cscn1 ZINC000573316010 364794981 /nfs/dbraw/zinc/79/49/81/364794981.db2.gz VUFOYESDJGAUMM-JTQLQIEISA-N 1 3 239.388 2.183 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCC2(C(F)(F)F)CC2)C1 ZINC000574415531 365059462 /nfs/dbraw/zinc/05/94/62/365059462.db2.gz YVGBSNZZCVZJCZ-IUCAKERBSA-N 1 3 236.281 2.188 20 0 BEADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccoc1 ZINC000574269161 365023777 /nfs/dbraw/zinc/02/37/77/365023777.db2.gz LBQXRGUQMFZJHX-YPMHNXCESA-N 1 3 222.332 2.462 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000575427331 365317335 /nfs/dbraw/zinc/31/73/35/365317335.db2.gz IQDPYNZYZNYRBT-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000575427331 365317340 /nfs/dbraw/zinc/31/73/40/365317340.db2.gz IQDPYNZYZNYRBT-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000575427331 365317343 /nfs/dbraw/zinc/31/73/43/365317343.db2.gz IQDPYNZYZNYRBT-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000575742109 365348297 /nfs/dbraw/zinc/34/82/97/365348297.db2.gz FGHQHFKGIVFTDE-YNEHKIRRSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cccc([C@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000379880369 365336179 /nfs/dbraw/zinc/33/61/79/365336179.db2.gz VKAHROZEMLYNSW-RYUDHWBXSA-N 1 3 206.333 2.240 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC000173916489 365453693 /nfs/dbraw/zinc/45/36/93/365453693.db2.gz XDUFLPGFWCCERB-CYBMUJFWSA-N 1 3 210.365 2.226 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC000173916489 365453700 /nfs/dbraw/zinc/45/37/00/365453700.db2.gz XDUFLPGFWCCERB-CYBMUJFWSA-N 1 3 210.365 2.226 20 0 BEADHO NCc1ccccc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000579700913 366982473 /nfs/dbraw/zinc/98/24/73/366982473.db2.gz QFTRWHZMOLZTRG-JOCQHMNTSA-N 1 3 248.370 2.289 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000581059620 367248827 /nfs/dbraw/zinc/24/88/27/367248827.db2.gz QBIPOJLQPKDINJ-NSHDSACASA-N 1 3 228.286 2.451 20 0 BEADHO CN(C)CC1(C[NH2+]CC2(F)CC2)CCCC1 ZINC000381349068 367385908 /nfs/dbraw/zinc/38/59/08/367385908.db2.gz ZXYFQBKBEKTYLV-UHFFFAOYSA-N 1 3 228.355 2.200 20 0 BEADHO CC(C)[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000381366672 367389142 /nfs/dbraw/zinc/38/91/42/367389142.db2.gz DZPATAKZUAEDTD-AWEZNQCLSA-N 1 3 222.376 2.273 20 0 BEADHO CC1CCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000381469341 367413649 /nfs/dbraw/zinc/41/36/49/367413649.db2.gz NRAZXNJNXDDGMB-UHFFFAOYSA-N 1 3 224.392 2.498 20 0 BEADHO CCCn1ccc(CNCCC[NH+]2CCC2)c1 ZINC000581499131 367526949 /nfs/dbraw/zinc/52/69/49/367526949.db2.gz USLOYPDYXGKCPW-UHFFFAOYSA-N 1 3 235.375 2.084 20 0 BEADHO CC1(C)CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000382608011 367548771 /nfs/dbraw/zinc/54/87/71/367548771.db2.gz ZQUKONZWASHPNB-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH2+]CCNC[C@H]1CCC[C@H](C)C1 ZINC000383112720 367597770 /nfs/dbraw/zinc/59/77/70/367597770.db2.gz IDESIYQXLOEIHT-STQMWFEESA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC1(C)C ZINC000399124838 367596485 /nfs/dbraw/zinc/59/64/85/367596485.db2.gz JMCSZRLBWOOJHV-WISYIIOYSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](CCC1CC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399135662 367646220 /nfs/dbraw/zinc/64/62/20/367646220.db2.gz QPCCXMUIGAUDIN-NTZNESFSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NC[C@@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000384095214 367672158 /nfs/dbraw/zinc/67/21/58/367672158.db2.gz CXYXMIGLJNMLMB-RWMBFGLXSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](NC[C@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000384095217 367672269 /nfs/dbraw/zinc/67/22/69/367672269.db2.gz CXYXMIGLJNMLMB-XQQFMLRXSA-N 1 3 242.432 2.250 20 0 BEADHO CN(CC1CCCCCC1)C1CC([NH3+])C1 ZINC000384746019 367725380 /nfs/dbraw/zinc/72/53/80/367725380.db2.gz MZWNCCXBLFSDDE-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)[C@@H](C)O1 ZINC000385004770 367770721 /nfs/dbraw/zinc/77/07/21/367770721.db2.gz WEJBSAMKUBYYPR-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CC1CCC(CN(C)C2CC([NH3+])C2)CC1 ZINC000384842794 367741788 /nfs/dbraw/zinc/74/17/88/367741788.db2.gz JLAHAGCDBXNOPH-UHFFFAOYSA-N 1 3 210.365 2.234 20 0 BEADHO CC/C=C/CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000384866946 367745627 /nfs/dbraw/zinc/74/56/27/367745627.db2.gz NZEHXOUCVMZTQD-SFTURWCGSA-N 1 3 210.365 2.271 20 0 BEADHO CC/C=C/CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384866946 367745630 /nfs/dbraw/zinc/74/56/30/367745630.db2.gz NZEHXOUCVMZTQD-SFTURWCGSA-N 1 3 210.365 2.271 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000384940032 367761534 /nfs/dbraw/zinc/76/15/34/367761534.db2.gz QSJQFYDBEXNQBJ-MBNYWOFBSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H](C[N@H+](C)C1CC(N)C1)c1ccccc1 ZINC000384957149 367764409 /nfs/dbraw/zinc/76/44/09/367764409.db2.gz GWSMVXOMRLFKGH-XGNXJENSSA-N 1 3 218.344 2.212 20 0 BEADHO C[C@@H](C[N@@H+](C)C1CC(N)C1)c1ccccc1 ZINC000384957149 367764412 /nfs/dbraw/zinc/76/44/12/367764412.db2.gz GWSMVXOMRLFKGH-XGNXJENSSA-N 1 3 218.344 2.212 20 0 BEADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000384971940 367767822 /nfs/dbraw/zinc/76/78/22/367767822.db2.gz TWDUZEPHNBJHFC-YRGRVCCFSA-N 1 3 240.391 2.015 20 0 BEADHO CN(CCCCC1CCOCC1)C1CC([NH3+])C1 ZINC000385270580 367814830 /nfs/dbraw/zinc/81/48/30/367814830.db2.gz ZYBDTVDHQQBJSA-UHFFFAOYSA-N 1 3 240.391 2.005 20 0 BEADHO C[N@H+](CCCCC1CCOCC1)C1CC(N)C1 ZINC000385270580 367814835 /nfs/dbraw/zinc/81/48/35/367814835.db2.gz ZYBDTVDHQQBJSA-UHFFFAOYSA-N 1 3 240.391 2.005 20 0 BEADHO C[N@@H+](CCCCC1CCOCC1)C1CC(N)C1 ZINC000385270580 367814840 /nfs/dbraw/zinc/81/48/40/367814840.db2.gz ZYBDTVDHQQBJSA-UHFFFAOYSA-N 1 3 240.391 2.005 20 0 BEADHO CSCC1CCC([NH2+]C2CCNCC2)CC1 ZINC000385356667 367821910 /nfs/dbraw/zinc/82/19/10/367821910.db2.gz HATOMTWCRWKEOS-UHFFFAOYSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)[C@@H]1C ZINC000385617897 367847102 /nfs/dbraw/zinc/84/71/02/367847102.db2.gz ICDWINKKKHJHTB-LBELIVKGSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H](N[C@H]1CC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386103618 367912994 /nfs/dbraw/zinc/91/29/94/367912994.db2.gz KFOXVTHZSOXRRX-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](NCC1CC(F)(F)C1)[C@H]1CCCC[NH2+]1 ZINC000386010505 367897256 /nfs/dbraw/zinc/89/72/56/367897256.db2.gz MMGITVLBYFNUSV-MWLCHTKSSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@@H]([NH2+]CCOC1CCCC1)[C@@H]1CCCCN1 ZINC000386034194 367900090 /nfs/dbraw/zinc/90/00/90/367900090.db2.gz RKNZQEJVDZCUJZ-OCCSQVGLSA-N 1 3 240.391 2.066 20 0 BEADHO CC(C)OCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386476571 367978676 /nfs/dbraw/zinc/97/86/76/367978676.db2.gz RIVRHRYZKDOFQG-KGLIPLIRSA-N 1 3 242.407 2.312 20 0 BEADHO Cc1cscc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000087309624 368891177 /nfs/dbraw/zinc/89/11/77/368891177.db2.gz IAONOMPNFUEJHQ-VXGBXAGGSA-N 1 3 224.373 2.416 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000623657108 368997207 /nfs/dbraw/zinc/99/72/07/368997207.db2.gz JWUZLTPSELDXBW-OLZOCXBDSA-N 1 3 242.432 2.061 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000623657110 368997453 /nfs/dbraw/zinc/99/74/53/368997453.db2.gz JWUZLTPSELDXBW-STQMWFEESA-N 1 3 242.432 2.061 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000623656990 368997843 /nfs/dbraw/zinc/99/78/43/368997843.db2.gz HHZAHOAAHCZMRE-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)OC[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623657095 368998000 /nfs/dbraw/zinc/99/80/00/368998000.db2.gz JRBYVINUVSXNDU-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623657095 368998004 /nfs/dbraw/zinc/99/80/04/368998004.db2.gz JRBYVINUVSXNDU-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000623656020 368992751 /nfs/dbraw/zinc/99/27/51/368992751.db2.gz LBWDAIHWDVZINL-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623656342 368993454 /nfs/dbraw/zinc/99/34/54/368993454.db2.gz SFHFTFUTXJPCJT-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CN ZINC000631839738 369170029 /nfs/dbraw/zinc/17/00/29/369170029.db2.gz KFMZMSKVSFPESR-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CN ZINC000631839738 369170032 /nfs/dbraw/zinc/17/00/32/369170032.db2.gz KFMZMSKVSFPESR-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1C[N@H+](CC2CCCCC2)C[C@H]1CN ZINC000631839739 369170381 /nfs/dbraw/zinc/17/03/81/369170381.db2.gz KFMZMSKVSFPESR-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CN ZINC000631839739 369170387 /nfs/dbraw/zinc/17/03/87/369170387.db2.gz KFMZMSKVSFPESR-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H](C)Cc1ccoc1 ZINC000567579930 326221959 /nfs/dbraw/zinc/22/19/59/326221959.db2.gz YHKSFRHSBFQATD-LBPRGKRZSA-N 1 3 224.348 2.188 20 0 BEADHO CCNCCC[NH2+][C@@H](C)CCC(C)C ZINC000567638963 326236200 /nfs/dbraw/zinc/23/62/00/326236200.db2.gz AYKLWNZEOXWBPB-LBPRGKRZSA-N 1 3 200.370 2.400 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631840941 369340247 /nfs/dbraw/zinc/34/02/47/369340247.db2.gz WQTONGNTXKWMFM-CJNGLKHVSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@@H](C)[C@@H](CN)C2)cc1 ZINC000631840941 369340249 /nfs/dbraw/zinc/34/02/49/369340249.db2.gz WQTONGNTXKWMFM-CJNGLKHVSA-N 1 3 246.398 2.318 20 0 BEADHO CCc1ccc(CCN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631840941 369340250 /nfs/dbraw/zinc/34/02/50/369340250.db2.gz WQTONGNTXKWMFM-CJNGLKHVSA-N 1 3 246.398 2.318 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000567735663 326253096 /nfs/dbraw/zinc/25/30/96/326253096.db2.gz OQJSYQNPUFPWCW-LOWDOPEQSA-N 1 3 228.355 2.374 20 0 BEADHO C[C@@H](NCC(C1CC1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400631321 369351367 /nfs/dbraw/zinc/35/13/67/369351367.db2.gz LTBKAWNRIMEAJT-YGRLFVJLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CCCN1 ZINC000400631321 369351377 /nfs/dbraw/zinc/35/13/77/369351377.db2.gz LTBKAWNRIMEAJT-YGRLFVJLSA-N 1 3 222.376 2.153 20 0 BEADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(O)c2)C1 ZINC000459728004 203343537 /nfs/dbraw/zinc/34/35/37/203343537.db2.gz HXBCARLSZTUGMF-CYBMUJFWSA-N 1 3 248.370 2.214 20 0 BEADHO C[N@H+]1CCC[C@H](CCNCc2cccc(O)c2)C1 ZINC000459728004 203343538 /nfs/dbraw/zinc/34/35/38/203343538.db2.gz HXBCARLSZTUGMF-CYBMUJFWSA-N 1 3 248.370 2.214 20 0 BEADHO Cc1ccoc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459734149 203346941 /nfs/dbraw/zinc/34/69/41/203346941.db2.gz OFINLGIZZDWWAH-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1ccoc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459734149 203346943 /nfs/dbraw/zinc/34/69/43/203346943.db2.gz OFINLGIZZDWWAH-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795039 203373867 /nfs/dbraw/zinc/37/38/67/203373867.db2.gz XGVGBIPVMITCNQ-ZOBORPQBSA-N 1 3 222.376 2.249 20 0 BEADHO CSCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250930081 369622478 /nfs/dbraw/zinc/62/24/78/369622478.db2.gz CHRDHUPQJFZAFH-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@H](C[NH2+][C@]12CCC[C@@H]1CNC2)CC(F)F ZINC000631867188 370211716 /nfs/dbraw/zinc/21/17/16/370211716.db2.gz MCUODCFFXVLBAL-LOWVWBTDSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@H](C[NH2+]Cc1ccc2[nH]ccc2c1)CN(C)C ZINC000310802080 370366670 /nfs/dbraw/zinc/36/66/70/370366670.db2.gz XOQMYDGRTOAMMZ-GFCCVEGCSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000310484322 370348330 /nfs/dbraw/zinc/34/83/30/370348330.db2.gz DOKFLBYXWIJWGP-SCRDCRAPSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](CCc1ccco1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000310484322 370348335 /nfs/dbraw/zinc/34/83/35/370348335.db2.gz DOKFLBYXWIJWGP-SCRDCRAPSA-N 1 3 236.359 2.188 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@H+](CCc1ccccc1)C2 ZINC000621779041 370529241 /nfs/dbraw/zinc/52/92/41/370529241.db2.gz YXGQNIDZNHJHRW-CABCVRRESA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779041 370529245 /nfs/dbraw/zinc/52/92/45/370529245.db2.gz YXGQNIDZNHJHRW-CABCVRRESA-N 1 3 230.355 2.042 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H](C)[C@@H]1CCCCO1 ZINC000623858807 371129803 /nfs/dbraw/zinc/12/98/03/371129803.db2.gz WOMFMHBBQFCXKY-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCCCO1 ZINC000623858807 371129806 /nfs/dbraw/zinc/12/98/06/371129806.db2.gz WOMFMHBBQFCXKY-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623858807 371129812 /nfs/dbraw/zinc/12/98/12/371129812.db2.gz WOMFMHBBQFCXKY-KBPBESRZSA-N 1 3 242.407 2.264 20 0 BEADHO C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CC1 ZINC000569093167 326389309 /nfs/dbraw/zinc/38/93/09/326389309.db2.gz AJCUKNVEPFBGNC-FUNVUKJBSA-N 1 3 208.349 2.049 20 0 BEADHO CCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120034 371319421 /nfs/dbraw/zinc/31/94/21/371319421.db2.gz QEFGPVZCTRNONB-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CCC1 ZINC000624121369 371322901 /nfs/dbraw/zinc/32/29/01/371322901.db2.gz UTCUETFJAMOVIR-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccncc1 ZINC000624122645 371323159 /nfs/dbraw/zinc/32/31/59/371323159.db2.gz XNAKRCPUCLYEIP-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC000405376880 372156643 /nfs/dbraw/zinc/15/66/43/372156643.db2.gz BQCBAMXXVGRKBG-CHWSQXEVSA-N 1 3 216.328 2.046 20 0 BEADHO Cc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631843888 372639909 /nfs/dbraw/zinc/63/99/09/372639909.db2.gz SYWXCOLVSSPUKJ-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631843888 372639916 /nfs/dbraw/zinc/63/99/16/372639916.db2.gz SYWXCOLVSSPUKJ-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631843888 372639923 /nfs/dbraw/zinc/63/99/23/372639923.db2.gz SYWXCOLVSSPUKJ-GXTWGEPZSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)c1 ZINC000631842736 372640360 /nfs/dbraw/zinc/64/03/60/372640360.db2.gz FBSGSNLGATZWEH-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CN)[C@H](C)C2)c1 ZINC000631842736 372640364 /nfs/dbraw/zinc/64/03/64/372640364.db2.gz FBSGSNLGATZWEH-UKRRQHHQSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631842691 372640572 /nfs/dbraw/zinc/64/05/72/372640572.db2.gz DNOHWCIEPPAUDF-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631842691 372640580 /nfs/dbraw/zinc/64/05/80/372640580.db2.gz DNOHWCIEPPAUDF-TZMCWYRMSA-N 1 3 218.344 2.022 20 0 BEADHO COc1ccc(C)cc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844387 372643170 /nfs/dbraw/zinc/64/31/70/372643170.db2.gz WZUUEYUNOOBRKB-TZMCWYRMSA-N 1 3 248.370 2.030 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CN1CC1CCCCCC1 ZINC000631861621 372662275 /nfs/dbraw/zinc/66/22/75/372662275.db2.gz FUXMAQVPWSZSNY-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H](CCc1ccccc1F)[NH2+]CCCN ZINC000437772185 206072174 /nfs/dbraw/zinc/07/21/74/206072174.db2.gz JKOXEGQNJQXMDL-NSHDSACASA-N 1 3 224.323 2.085 20 0 BEADHO C[C@@H](CCc1ccccc1F)NCCC[NH3+] ZINC000437772185 206072178 /nfs/dbraw/zinc/07/21/78/206072178.db2.gz JKOXEGQNJQXMDL-NSHDSACASA-N 1 3 224.323 2.085 20 0 BEADHO CCC[N@H+](CCCN(C)C)Cc1cccn1C ZINC000290323549 169156212 /nfs/dbraw/zinc/15/62/12/169156212.db2.gz DENBJXGTLJHQOF-UHFFFAOYSA-N 1 3 237.391 2.189 20 0 BEADHO CCC[N@@H+](CCCN(C)C)Cc1cccn1C ZINC000290323549 169156213 /nfs/dbraw/zinc/15/62/13/169156213.db2.gz DENBJXGTLJHQOF-UHFFFAOYSA-N 1 3 237.391 2.189 20 0 BEADHO CCC[NH+]1CCC(NC[C@@H](OC)C(C)C)CC1 ZINC000310201530 169187783 /nfs/dbraw/zinc/18/77/83/169187783.db2.gz AYJATNIRSJJMBH-CQSZACIVSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[NH+]1CCC(N[C@@H]2CSC2(C)C)CC1 ZINC000336671473 169190321 /nfs/dbraw/zinc/19/03/21/169190321.db2.gz AMEWVSJOQOOVJV-GFCCVEGCSA-N 1 3 242.432 2.344 20 0 BEADHO CCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157450992 169195722 /nfs/dbraw/zinc/19/57/22/169195722.db2.gz BUYPMIVJFCUHGT-CYBMUJFWSA-N 1 3 210.365 2.347 20 0 BEADHO CCCN1CC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336775834 169206373 /nfs/dbraw/zinc/20/63/73/169206373.db2.gz CURNRDASJNVYAR-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CCCN1CC[C@H](C[NH2+]CCSCC)C1 ZINC000336765289 169207269 /nfs/dbraw/zinc/20/72/69/169207269.db2.gz QSFMMYVUDCVAFL-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCC[N@@H+]1CC[C@H](CNCCSCC)C1 ZINC000336765289 169207270 /nfs/dbraw/zinc/20/72/70/169207270.db2.gz QSFMMYVUDCVAFL-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCC[N@H+]1CC[C@H](CNCCSCC)C1 ZINC000336765289 169207271 /nfs/dbraw/zinc/20/72/71/169207271.db2.gz QSFMMYVUDCVAFL-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO c1cc(C[NH2+]C2CC(N3CCCCC3)C2)c[nH]1 ZINC000373486560 183348051 /nfs/dbraw/zinc/34/80/51/183348051.db2.gz SHABWTRKBIEZIK-UHFFFAOYSA-N 1 3 233.359 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC2(C)C)C1 ZINC000309946595 169208221 /nfs/dbraw/zinc/20/82/21/169208221.db2.gz DOXOSQANLWWOOE-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO c1ccc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000169798597 183390503 /nfs/dbraw/zinc/39/05/03/183390503.db2.gz OHMAMUXDYVWLOM-CQSZACIVSA-N 1 3 244.382 2.476 20 0 BEADHO c1ccc(CCN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000067674191 183393944 /nfs/dbraw/zinc/39/39/44/183393944.db2.gz CURGXZNSJBBSAH-MRXNPFEDSA-N 1 3 244.382 2.305 20 0 BEADHO c1ccc(CC[N@@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000067674191 183393945 /nfs/dbraw/zinc/39/39/45/183393945.db2.gz CURGXZNSJBBSAH-MRXNPFEDSA-N 1 3 244.382 2.305 20 0 BEADHO c1ccc(CC[N@H+]2CC[C@]3(C2)CCCNC3)cc1 ZINC000067674191 183393946 /nfs/dbraw/zinc/39/39/46/183393946.db2.gz CURGXZNSJBBSAH-MRXNPFEDSA-N 1 3 244.382 2.305 20 0 BEADHO CC[C@H](C)[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099395 1172526504 /nfs/dbraw/zinc/52/65/04/1172526504.db2.gz PICIYNDEBMLFQJ-FQUUOJAGSA-N 1 3 224.392 2.305 20 0 BEADHO CC[C@H](C)[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099395 1172526508 /nfs/dbraw/zinc/52/65/08/1172526508.db2.gz PICIYNDEBMLFQJ-FQUUOJAGSA-N 1 3 224.392 2.305 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000309538849 383885919 /nfs/dbraw/zinc/88/59/19/383885919.db2.gz GAYVMJVQIPZADZ-GFCCVEGCSA-N 1 3 224.392 2.495 20 0 BEADHO CN(CCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000088243168 383889212 /nfs/dbraw/zinc/88/92/12/383889212.db2.gz HTZZTINVKYPBKB-OAHLLOKOSA-N 1 3 232.371 2.303 20 0 BEADHO C[N@H+](CCc1ccccc1)[C@@H]1CCCNCC1 ZINC000088243168 383889219 /nfs/dbraw/zinc/88/92/19/383889219.db2.gz HTZZTINVKYPBKB-OAHLLOKOSA-N 1 3 232.371 2.303 20 0 BEADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCCNCC1 ZINC000088243168 383889222 /nfs/dbraw/zinc/88/92/22/383889222.db2.gz HTZZTINVKYPBKB-OAHLLOKOSA-N 1 3 232.371 2.303 20 0 BEADHO C[C@H](C[N@H+](C)CCCN)c1ccccc1 ZINC000227742050 134392538 /nfs/dbraw/zinc/39/25/38/134392538.db2.gz LBMIKNACGRZQEA-GFCCVEGCSA-N 1 3 206.333 2.071 20 0 BEADHO C[C@H](C[N@@H+](C)CCCN)c1ccccc1 ZINC000227742050 134392540 /nfs/dbraw/zinc/39/25/40/134392540.db2.gz LBMIKNACGRZQEA-GFCCVEGCSA-N 1 3 206.333 2.071 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1cncs1 ZINC000132994874 384220656 /nfs/dbraw/zinc/22/06/56/384220656.db2.gz MVALCZYLKAYMJN-SNVBAGLBSA-N 1 3 227.377 2.136 20 0 BEADHO CC[C@@H]1C[N@H+](CC2(OC)CCCC2)CC[C@@H]1N ZINC000319456330 384250318 /nfs/dbraw/zinc/25/03/18/384250318.db2.gz OCXSXEAPRMUKQX-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@@H]1N ZINC000319456330 384250324 /nfs/dbraw/zinc/25/03/24/384250324.db2.gz OCXSXEAPRMUKQX-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000082651677 384250898 /nfs/dbraw/zinc/25/08/98/384250898.db2.gz NZODXSLISIWFCF-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000082651677 384250903 /nfs/dbraw/zinc/25/09/03/384250903.db2.gz NZODXSLISIWFCF-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCCSC)C1 ZINC000173909043 384284029 /nfs/dbraw/zinc/28/40/29/384284029.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCCSC)C1 ZINC000173909043 384284034 /nfs/dbraw/zinc/28/40/34/384284034.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCCSC)C1 ZINC000173909043 384284040 /nfs/dbraw/zinc/28/40/40/384284040.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCCSC)C1 ZINC000173909043 384284046 /nfs/dbraw/zinc/28/40/46/384284046.db2.gz HKURKJNKVIKJBU-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO CCSCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000173919724 384288740 /nfs/dbraw/zinc/28/87/40/384288740.db2.gz PUTASHABFMLWHN-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO CCSCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000173919724 384288743 /nfs/dbraw/zinc/28/87/43/384288743.db2.gz PUTASHABFMLWHN-GFCCVEGCSA-N 1 3 230.421 2.013 20 0 BEADHO C/C=C\CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384731853 384362744 /nfs/dbraw/zinc/36/27/44/384362744.db2.gz JVAYRUGJWSTPJC-FGTRRKKMSA-N 1 3 210.365 2.463 20 0 BEADHO C[C@H]1CCC[C@@H](C[NH+]2CCC(N)CC2)C1 ZINC000084344415 384391715 /nfs/dbraw/zinc/39/17/15/384391715.db2.gz XZOHCXNNXJSUOL-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCC[C@@H](CN2CCC([NH3+])CC2)C1 ZINC000084344415 384391716 /nfs/dbraw/zinc/39/17/16/384391716.db2.gz XZOHCXNNXJSUOL-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[NH+](C)CCCCNCc1cccc(F)c1F ZINC000045697883 384402307 /nfs/dbraw/zinc/40/23/07/384402307.db2.gz FIANEINMGHIHIE-UHFFFAOYSA-N 1 3 242.313 2.396 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CCCSC)C1 ZINC000174966597 384380074 /nfs/dbraw/zinc/38/00/74/384380074.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CCCSC)C1 ZINC000174966597 384380080 /nfs/dbraw/zinc/38/00/80/384380080.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CCCSC)C1 ZINC000174966597 384380086 /nfs/dbraw/zinc/38/00/86/384380086.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CCCSC)C1 ZINC000174966597 384380094 /nfs/dbraw/zinc/38/00/94/384380094.db2.gz GIMLPFOPPJYJJU-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC(F)F ZINC000647227019 384437545 /nfs/dbraw/zinc/43/75/45/384437545.db2.gz MHPXLQQJUSHISC-TUAOUCFPSA-N 1 3 246.345 2.494 20 0 BEADHO N[C@H]1C[C@@H]([NH2+]CC2=CCOCC2)c2ccccc21 ZINC000335659879 384461552 /nfs/dbraw/zinc/46/15/52/384461552.db2.gz NDCARZXRRCVHQW-LSDHHAIUSA-N 1 3 244.338 2.068 20 0 BEADHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCCO2)CC1 ZINC000149301066 384474952 /nfs/dbraw/zinc/47/49/52/384474952.db2.gz RICYKXYMXYDKMB-CYBMUJFWSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000449554435 384525112 /nfs/dbraw/zinc/52/51/12/384525112.db2.gz PIIFRJAQMODBHL-AJNGGQMLSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449554435 384525123 /nfs/dbraw/zinc/52/51/23/384525123.db2.gz PIIFRJAQMODBHL-AJNGGQMLSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449554435 384525130 /nfs/dbraw/zinc/52/51/30/384525130.db2.gz PIIFRJAQMODBHL-AJNGGQMLSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000308981056 384556366 /nfs/dbraw/zinc/55/63/66/384556366.db2.gz KIPJQNJOOSEZJX-AAEUAGOBSA-N 1 3 206.333 2.322 20 0 BEADHO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCNC ZINC000309852659 384669552 /nfs/dbraw/zinc/66/95/52/384669552.db2.gz YQEKRGJPOBHMKI-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCNC ZINC000309852659 384669556 /nfs/dbraw/zinc/66/95/56/384669556.db2.gz YQEKRGJPOBHMKI-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CC(F)(F)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000357718318 384683449 /nfs/dbraw/zinc/68/34/49/384683449.db2.gz VUOHEWMHNYBVDU-QWRGUYRKSA-N 1 3 232.318 2.248 20 0 BEADHO CC(F)(F)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000357718318 384683451 /nfs/dbraw/zinc/68/34/51/384683451.db2.gz VUOHEWMHNYBVDU-QWRGUYRKSA-N 1 3 232.318 2.248 20 0 BEADHO CN(C)CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102419359 384711601 /nfs/dbraw/zinc/71/16/01/384711601.db2.gz QSQHOJMFXFFZNU-UHFFFAOYSA-N 1 3 246.354 2.004 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2cnccc21 ZINC000647552022 384757980 /nfs/dbraw/zinc/75/79/80/384757980.db2.gz AOADMBAAVFLLTI-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423210433 384760429 /nfs/dbraw/zinc/76/04/29/384760429.db2.gz GHASCPWWXBKDCY-XUXIUFHCSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCN)C1 ZINC000647552762 384762480 /nfs/dbraw/zinc/76/24/80/384762480.db2.gz VNDBGEMJNTYZRJ-STQMWFEESA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCCN)C1 ZINC000647552762 384762489 /nfs/dbraw/zinc/76/24/89/384762489.db2.gz VNDBGEMJNTYZRJ-STQMWFEESA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([C@@H](C)N)C1 ZINC000301013746 384829967 /nfs/dbraw/zinc/82/99/67/384829967.db2.gz ZEZNXFMIMGGYOE-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H]([C@@H](C)N)C1 ZINC000301013746 384829972 /nfs/dbraw/zinc/82/99/72/384829972.db2.gz ZEZNXFMIMGGYOE-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000107786848 384784103 /nfs/dbraw/zinc/78/41/03/384784103.db2.gz AJGCVWLEVXLQSQ-PWSUYJOCSA-N 1 3 222.332 2.083 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000126718025 384795525 /nfs/dbraw/zinc/79/55/25/384795525.db2.gz PQXMVIBZBVQHSA-ONGXEEELSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCN[C@@H]2C)cc1 ZINC000335644673 384801574 /nfs/dbraw/zinc/80/15/74/384801574.db2.gz XBJXOTQPNIIXQC-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000398087833 384801462 /nfs/dbraw/zinc/80/14/62/384801462.db2.gz OIXUWNZVIAKZEC-KGYLQXTDSA-N 1 3 210.365 2.425 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423339584 384813915 /nfs/dbraw/zinc/81/39/15/384813915.db2.gz LJKZRWBWMQLAAZ-IHRRRGAJSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H](C[NH2+]Cc1cc2ccccc2[nH]1)CN(C)C ZINC000644414864 384870018 /nfs/dbraw/zinc/87/00/18/384870018.db2.gz IMHNIWBLCRJHLM-LBPRGKRZSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2ccccc2)C1 ZINC000104424507 384851450 /nfs/dbraw/zinc/85/14/50/384851450.db2.gz RFFOXKXUQRKNFZ-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000104424507 384851454 /nfs/dbraw/zinc/85/14/54/384851454.db2.gz RFFOXKXUQRKNFZ-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424507 384851459 /nfs/dbraw/zinc/85/14/59/384851459.db2.gz RFFOXKXUQRKNFZ-ZFWWWQNUSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCSCC1 ZINC000423392456 384854158 /nfs/dbraw/zinc/85/41/58/384854158.db2.gz QFIITLSECDGRNR-UHTWSYAYSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000423409176 384855977 /nfs/dbraw/zinc/85/59/77/384855977.db2.gz YMOGHPJDXQAMEX-XQHKEYJVSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000258920498 384952050 /nfs/dbraw/zinc/95/20/50/384952050.db2.gz ISYGNPHMTYYDOK-CABCVRRESA-N 1 3 248.370 2.443 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000258953100 384955808 /nfs/dbraw/zinc/95/58/08/384955808.db2.gz KNUBDJATYIKWKN-KBPBESRZSA-N 1 3 218.344 2.007 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000258953103 384955875 /nfs/dbraw/zinc/95/58/75/384955875.db2.gz KNUBDJATYIKWKN-KGLIPLIRSA-N 1 3 218.344 2.007 20 0 BEADHO C[NH+](C)CCNc1ccnc2ccccc21 ZINC000027320641 384893596 /nfs/dbraw/zinc/89/35/96/384893596.db2.gz DKKMYYBDTJFTDO-UHFFFAOYSA-N 1 3 215.300 2.208 20 0 BEADHO COc1ccc(CNC[C@@H](C)C[NH3+])cc1Cl ZINC000258671973 384936176 /nfs/dbraw/zinc/93/61/76/384936176.db2.gz CXEINFLVIXSJOH-VIFPVBQESA-N 1 3 242.750 2.033 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000555595033 384942018 /nfs/dbraw/zinc/94/20/18/384942018.db2.gz AVXSIJCSDNLQQI-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2(C)CC2)C1 ZINC000555595033 384942025 /nfs/dbraw/zinc/94/20/25/384942025.db2.gz AVXSIJCSDNLQQI-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000555595033 384942030 /nfs/dbraw/zinc/94/20/30/384942030.db2.gz AVXSIJCSDNLQQI-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000555595033 384942039 /nfs/dbraw/zinc/94/20/39/384942039.db2.gz AVXSIJCSDNLQQI-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000258900907 384944553 /nfs/dbraw/zinc/94/45/53/384944553.db2.gz HRLDCKJGXCJPTA-CHWSQXEVSA-N 1 3 236.384 2.378 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCc1c[nH]c2ccccc12 ZINC000258898321 384944994 /nfs/dbraw/zinc/94/49/94/384944994.db2.gz GDJRKYOWSKPSSZ-UKRRQHHQSA-N 1 3 243.354 2.180 20 0 BEADHO CSc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000258900910 384945340 /nfs/dbraw/zinc/94/53/40/384945340.db2.gz HRLDCKJGXCJPTA-OLZOCXBDSA-N 1 3 236.384 2.378 20 0 BEADHO CCc1ccc(CC[N@H+](C)C2CCNCC2)cc1 ZINC000258868621 384948228 /nfs/dbraw/zinc/94/82/28/384948228.db2.gz FWQZRDSRSGSPFP-UHFFFAOYSA-N 1 3 246.398 2.475 20 0 BEADHO CCc1ccc(CC[N@@H+](C)C2CCNCC2)cc1 ZINC000258868621 384948236 /nfs/dbraw/zinc/94/82/36/384948236.db2.gz FWQZRDSRSGSPFP-UHFFFAOYSA-N 1 3 246.398 2.475 20 0 BEADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](C)[C@H]2CCN)O1 ZINC000404274810 384965089 /nfs/dbraw/zinc/96/50/89/384965089.db2.gz AHFGYRZBYAPEPR-REWJHTLYSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C)[C@H]2CCN)O1 ZINC000404274810 384965098 /nfs/dbraw/zinc/96/50/98/384965098.db2.gz AHFGYRZBYAPEPR-REWJHTLYSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](CN2CCC[C@H](C)[C@H]2CC[NH3+])O1 ZINC000404274810 384965102 /nfs/dbraw/zinc/96/51/02/384965102.db2.gz AHFGYRZBYAPEPR-REWJHTLYSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](Cc1ccsc1)NC[C@H]1CCC[NH2+]C1 ZINC000087646885 384983194 /nfs/dbraw/zinc/98/31/94/384983194.db2.gz NATMZGHGHRGXAB-YPMHNXCESA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+]C[C@H]1CCCNC1 ZINC000087646885 384983203 /nfs/dbraw/zinc/98/32/03/384983203.db2.gz NATMZGHGHRGXAB-YPMHNXCESA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](C1CC1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436279 385022078 /nfs/dbraw/zinc/02/20/78/385022078.db2.gz UXZYBFWGLBDNEC-NWDGAFQWSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H](C1CC1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436279 385022083 /nfs/dbraw/zinc/02/20/83/385022083.db2.gz UXZYBFWGLBDNEC-NWDGAFQWSA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)CC(C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000518396289 385048175 /nfs/dbraw/zinc/04/81/75/385048175.db2.gz BTNVCBJTQYUILV-RYUDHWBXSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1cccc(OCC[NH2+][C@@H]2C[C@@H](N)C2(C)C)c1 ZINC000404785185 385058137 /nfs/dbraw/zinc/05/81/37/385058137.db2.gz PHAKUQZHTAPXMQ-ZIAGYGMSSA-N 1 3 248.370 2.089 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@H](N)C1(C)C)c1ccccc1 ZINC000404806260 385076639 /nfs/dbraw/zinc/07/66/39/385076639.db2.gz YNXQUBXJMXKOQW-WCFLWFBJSA-N 1 3 218.344 2.463 20 0 BEADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397324449 385080863 /nfs/dbraw/zinc/08/08/63/385080863.db2.gz OFGFDTAYXTZXAB-RNJOBUHISA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397324449 385080870 /nfs/dbraw/zinc/08/08/70/385080870.db2.gz OFGFDTAYXTZXAB-RNJOBUHISA-N 1 3 212.381 2.338 20 0 BEADHO [NH3+]CC1CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000518753932 385107274 /nfs/dbraw/zinc/10/72/74/385107274.db2.gz YXFVRXQQJBFZFW-UHFFFAOYSA-N 1 3 249.358 2.159 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000346663854 385257131 /nfs/dbraw/zinc/25/71/31/385257131.db2.gz XDRUCEFOGTUPED-XDQVBPFNSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2C)C1 ZINC000346663854 385257133 /nfs/dbraw/zinc/25/71/33/385257133.db2.gz XDRUCEFOGTUPED-XDQVBPFNSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000308967763 385319044 /nfs/dbraw/zinc/31/90/44/385319044.db2.gz NORCMGYZHGIBCI-VXGBXAGGSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H]1CSC[C@H]1C ZINC000308967763 385319048 /nfs/dbraw/zinc/31/90/48/385319048.db2.gz NORCMGYZHGIBCI-VXGBXAGGSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H]1CSC[C@H]1C ZINC000308967763 385319055 /nfs/dbraw/zinc/31/90/55/385319055.db2.gz NORCMGYZHGIBCI-VXGBXAGGSA-N 1 3 230.421 2.058 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(F)cc1 ZINC000309006283 385356357 /nfs/dbraw/zinc/35/63/57/385356357.db2.gz URYNCUWCPFTWQM-UWVGGRQHSA-N 1 3 210.296 2.071 20 0 BEADHO C[C@@H](Cc1ccccc1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359460143 385367019 /nfs/dbraw/zinc/36/70/19/385367019.db2.gz VXUNRDFYNRUECY-CWRNSKLLSA-N 1 3 244.382 2.016 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000179149499 385368643 /nfs/dbraw/zinc/36/86/43/385368643.db2.gz SEWJFTQOHIWECQ-FRRDWIJNSA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)=CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000179149499 385368645 /nfs/dbraw/zinc/36/86/45/385368645.db2.gz SEWJFTQOHIWECQ-FRRDWIJNSA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)N(C)CCC[NH2+]C1CC(C)(C)C1 ZINC000309075615 385405772 /nfs/dbraw/zinc/40/57/72/385405772.db2.gz JZKGNMAJAAKECR-UHFFFAOYSA-N 1 3 212.381 2.495 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000155845743 385416963 /nfs/dbraw/zinc/41/69/63/385416963.db2.gz YYUPDPZZLUYRJG-ZIAGYGMSSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CN)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000309267708 385503689 /nfs/dbraw/zinc/50/36/89/385503689.db2.gz CKZSLDGNQVLIAJ-CHWSQXEVSA-N 1 3 220.360 2.365 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000309274952 385508363 /nfs/dbraw/zinc/50/83/63/385508363.db2.gz DRGKZJLJNPHTHH-UTLUCORTSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2ccccc21 ZINC000309338317 385539026 /nfs/dbraw/zinc/53/90/26/385539026.db2.gz KOJPZVQLOAFOAC-BXUZGUMPSA-N 1 3 218.344 2.248 20 0 BEADHO CC[C@](C)(CNCCC[N@H+](C)C(C)C)OC ZINC000318936911 385526642 /nfs/dbraw/zinc/52/66/42/385526642.db2.gz BHTZBUZSUUFJRC-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO CC[C@](C)(CNCCC[N@@H+](C)C(C)C)OC ZINC000318936911 385526644 /nfs/dbraw/zinc/52/66/44/385526644.db2.gz BHTZBUZSUUFJRC-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO CC[C@](C)(C[NH2+]CCCN(C)C(C)C)OC ZINC000318936911 385526646 /nfs/dbraw/zinc/52/66/46/385526646.db2.gz BHTZBUZSUUFJRC-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO CC1(C)CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000309371249 385554251 /nfs/dbraw/zinc/55/42/51/385554251.db2.gz BZWVDASKOFNOOB-WCQYABFASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309371249 385554253 /nfs/dbraw/zinc/55/42/53/385554253.db2.gz BZWVDASKOFNOOB-WCQYABFASA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000309371249 385554258 /nfs/dbraw/zinc/55/42/58/385554258.db2.gz BZWVDASKOFNOOB-WCQYABFASA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1nccs1 ZINC000309422734 385578213 /nfs/dbraw/zinc/57/82/13/385578213.db2.gz BFKKOIFVBZPAIX-GHMZBOCLSA-N 1 3 239.388 2.326 20 0 BEADHO CCC1CC([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000336678000 385614383 /nfs/dbraw/zinc/61/43/83/385614383.db2.gz CDSHMFFNKFGQGW-IYXRBSQSSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](CCC[NH3+])NCc1cc(F)ccc1F ZINC000309488591 385611701 /nfs/dbraw/zinc/61/17/01/385611701.db2.gz XRMWZWWFTDEPAY-SECBINFHSA-N 1 3 228.286 2.182 20 0 BEADHO F[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000309505134 385641935 /nfs/dbraw/zinc/64/19/35/385641935.db2.gz MVPOZFQZYKWCAB-MROQNXINSA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000309505134 385641943 /nfs/dbraw/zinc/64/19/43/385641943.db2.gz MVPOZFQZYKWCAB-MROQNXINSA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000309505134 385641951 /nfs/dbraw/zinc/64/19/51/385641951.db2.gz MVPOZFQZYKWCAB-MROQNXINSA-N 1 3 226.339 2.093 20 0 BEADHO Cc1cscc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000309515053 385655185 /nfs/dbraw/zinc/65/51/85/385655185.db2.gz YJBNZZNXAOZQOG-ZWNOBZJWSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1cscc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000309515053 385655192 /nfs/dbraw/zinc/65/51/92/385655192.db2.gz YJBNZZNXAOZQOG-ZWNOBZJWSA-N 1 3 238.400 2.486 20 0 BEADHO CNC[C@H](C)C[NH2+]CCC1CCCCC1 ZINC000414852347 385675000 /nfs/dbraw/zinc/67/50/00/385675000.db2.gz RAJOUOTYZMMAPE-LBPRGKRZSA-N 1 3 212.381 2.402 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H](C)CC(C)C ZINC000414853096 385680943 /nfs/dbraw/zinc/68/09/43/385680943.db2.gz RTDPPQPTILGKGH-NEPJUHHUSA-N 1 3 200.370 2.114 20 0 BEADHO C[C@@H](C[NH2+]C1CC(C)(C)C1)CN1CCCC1 ZINC000309565440 385695295 /nfs/dbraw/zinc/69/52/95/385695295.db2.gz MCOZKPGGERGSPI-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCNC1 ZINC000414856182 385709794 /nfs/dbraw/zinc/70/97/94/385709794.db2.gz OASNXIBQYITESJ-CHWSQXEVSA-N 1 3 212.381 2.258 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336691810 385729098 /nfs/dbraw/zinc/72/90/98/385729098.db2.gz WYZJPLUFHVWFMT-HZSPNIEDSA-N 1 3 224.392 2.352 20 0 BEADHO C[NH2+]CCCNC[C@H](C)c1ccc(F)cc1 ZINC000414857975 385729471 /nfs/dbraw/zinc/72/94/71/385729471.db2.gz GYQKLMLREONKLB-NSHDSACASA-N 1 3 224.323 2.128 20 0 BEADHO CNCCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414857975 385729476 /nfs/dbraw/zinc/72/94/76/385729476.db2.gz GYQKLMLREONKLB-NSHDSACASA-N 1 3 224.323 2.128 20 0 BEADHO Cc1ccccc1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414859945 385738552 /nfs/dbraw/zinc/73/85/52/385738552.db2.gz UZYSJNSGBHXAHJ-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccccc1CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414859946 385739153 /nfs/dbraw/zinc/73/91/53/385739153.db2.gz UZYSJNSGBHXAHJ-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1CCCNC1 ZINC000414863100 385756374 /nfs/dbraw/zinc/75/63/74/385756374.db2.gz XXWUISQREWNBOT-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO CNCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000414863960 385761538 /nfs/dbraw/zinc/76/15/38/385761538.db2.gz YHSYSCKRAWBAAB-UHFFFAOYSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCCN[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414864693 385763575 /nfs/dbraw/zinc/76/35/75/385763575.db2.gz ZTXLLUGLWLVKKR-BPLDGKMQSA-N 1 3 232.371 2.378 20 0 BEADHO CNCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000414864693 385763581 /nfs/dbraw/zinc/76/35/81/385763581.db2.gz ZTXLLUGLWLVKKR-BPLDGKMQSA-N 1 3 232.371 2.378 20 0 BEADHO CNCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000414864536 385763751 /nfs/dbraw/zinc/76/37/51/385763751.db2.gz ZJQCHLXNUPZNCA-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)C[C@@H]1C ZINC000414865519 385768565 /nfs/dbraw/zinc/76/85/65/385768565.db2.gz DALAORDJZASFSE-FQUUOJAGSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H](NCCC[NH3+])c1cccc(C)c1 ZINC000336703081 385772224 /nfs/dbraw/zinc/77/22/24/385772224.db2.gz QHQGURWYUFQAOJ-ZDUSSCGKSA-N 1 3 206.333 2.385 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000309667603 385783930 /nfs/dbraw/zinc/78/39/30/385783930.db2.gz UUUFMVHXPAFKMH-CYBMUJFWSA-N 1 3 222.376 2.417 20 0 BEADHO CC[C@H](COC)NCC1([NH3+])CCCCCC1 ZINC000414857373 385723749 /nfs/dbraw/zinc/72/37/49/385723749.db2.gz DAMGWTIQLVFNNB-GFCCVEGCSA-N 1 3 228.380 2.053 20 0 BEADHO CC[C@H](COC)[NH2+]CC1(N)CCCCCC1 ZINC000414857373 385723755 /nfs/dbraw/zinc/72/37/55/385723755.db2.gz DAMGWTIQLVFNNB-GFCCVEGCSA-N 1 3 228.380 2.053 20 0 BEADHO Cc1ccc(CCC[NH2+]C2(C)CCNCC2)cn1 ZINC000414947219 385803071 /nfs/dbraw/zinc/80/30/71/385803071.db2.gz VSHPXDKCLCRAFC-UHFFFAOYSA-N 1 3 247.386 2.054 20 0 BEADHO Cc1ccc(CCCNC2(C)CC[NH2+]CC2)cn1 ZINC000414947219 385803075 /nfs/dbraw/zinc/80/30/75/385803075.db2.gz VSHPXDKCLCRAFC-UHFFFAOYSA-N 1 3 247.386 2.054 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414947803 385806733 /nfs/dbraw/zinc/80/67/33/385806733.db2.gz WZGZPYVLNJSOIZ-OEAJRASXSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc(F)c2cccnc12 ZINC000414871620 385858118 /nfs/dbraw/zinc/85/81/18/385858118.db2.gz DPRPWKYPGXGXDG-SNVBAGLBSA-N 1 3 247.317 2.058 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414869831 385840338 /nfs/dbraw/zinc/84/03/38/385840338.db2.gz BHNHYHFEAUOYHZ-NEPJUHHUSA-N 1 3 238.350 2.331 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1C(C)C ZINC000414956440 385846705 /nfs/dbraw/zinc/84/67/05/385846705.db2.gz NIAKDHYOSRQAKX-AGIUHOORSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](C[NH3+])CNCc1cc(F)cc2cccnc21 ZINC000414874733 385886343 /nfs/dbraw/zinc/88/63/43/385886343.db2.gz IYTCIYRPAAUXCU-SNVBAGLBSA-N 1 3 247.317 2.058 20 0 BEADHO C[C@H](CCc1ccsc1)[NH2+]C[C@@H](C)CN ZINC000414874694 385886791 /nfs/dbraw/zinc/88/67/91/385886791.db2.gz IURDDIMABPPJIH-WDEREUQCSA-N 1 3 226.389 2.254 20 0 BEADHO C[C@H](C[NH2+]Cc1cccs1)CN(C)C ZINC000291713853 385893222 /nfs/dbraw/zinc/89/32/22/385893222.db2.gz LTRLNWJJKKXYBD-SNVBAGLBSA-N 1 3 212.362 2.035 20 0 BEADHO CC[NH+](CC)CCNc1nccc2[nH]ccc21 ZINC000647844447 385894656 /nfs/dbraw/zinc/89/46/56/385894656.db2.gz CXCOELPAMQTJAY-UHFFFAOYSA-N 1 3 232.331 2.317 20 0 BEADHO CC(C)=CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000397769939 385913315 /nfs/dbraw/zinc/91/33/15/385913315.db2.gz UPRNRMIJVLQEFL-STQMWFEESA-N 1 3 210.365 2.463 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000414966319 385919258 /nfs/dbraw/zinc/91/92/58/385919258.db2.gz WIEMTSDYAROIND-FDYHWXHSSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340469492 385859700 /nfs/dbraw/zinc/85/97/00/385859700.db2.gz KEFWBJLGRACTON-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H](C)[C@@]1(C)CCCO1 ZINC000340469492 385859703 /nfs/dbraw/zinc/85/97/03/385859703.db2.gz KEFWBJLGRACTON-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@]1(C)CCCO1 ZINC000340469492 385859707 /nfs/dbraw/zinc/85/97/07/385859707.db2.gz KEFWBJLGRACTON-UONOGXRCSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000414872899 385871087 /nfs/dbraw/zinc/87/10/87/385871087.db2.gz GMSYFQZRABWBKM-UTUOFQBUSA-N 1 3 212.381 2.386 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C[C@](C)(CC)OC)C1 ZINC000638136048 385879086 /nfs/dbraw/zinc/87/90/86/385879086.db2.gz WRBKHOVNMJTZTO-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638136048 385879088 /nfs/dbraw/zinc/87/90/88/385879088.db2.gz WRBKHOVNMJTZTO-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(C[C@](C)(CC)OC)C1 ZINC000638136048 385879089 /nfs/dbraw/zinc/87/90/89/385879089.db2.gz WRBKHOVNMJTZTO-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(C[C@](C)(CC)OC)C1 ZINC000638136048 385879090 /nfs/dbraw/zinc/87/90/90/385879090.db2.gz WRBKHOVNMJTZTO-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCC2)[C@H]1CCCNC1 ZINC000335018794 385978122 /nfs/dbraw/zinc/97/81/22/385978122.db2.gz LAAFMFHCNPDONI-QWHCGFSZSA-N 1 3 222.376 2.298 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000335019231 385978160 /nfs/dbraw/zinc/97/81/60/385978160.db2.gz LVQPYSWGVYQJFJ-YPMHNXCESA-N 1 3 242.432 2.107 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000338365493 385980431 /nfs/dbraw/zinc/98/04/31/385980431.db2.gz RRRZLWMSCZNAFB-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000338365493 385980438 /nfs/dbraw/zinc/98/04/38/385980438.db2.gz RRRZLWMSCZNAFB-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020807 385981060 /nfs/dbraw/zinc/98/10/60/385981060.db2.gz BDWKYJJUIGMLKA-ZFWWWQNUSA-N 1 3 241.338 2.204 20 0 BEADHO FC1(F)CCC(C[NH2+]C2CCNCC2)CC1 ZINC000335021868 385982708 /nfs/dbraw/zinc/98/27/08/385982708.db2.gz IZYWYDCELLUQCT-UHFFFAOYSA-N 1 3 232.318 2.154 20 0 BEADHO CC[C@H]1CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336748836 385988923 /nfs/dbraw/zinc/98/89/23/385988923.db2.gz CZUGPKNMFGWKBC-QWHCGFSZSA-N 1 3 208.349 2.027 20 0 BEADHO [NH3+][C@H]1CCCCC[C@@H]1NC1Cc2ccccc2C1 ZINC000335040046 385931279 /nfs/dbraw/zinc/93/12/79/385931279.db2.gz OCCJYDYSFUIFSA-HOTGVXAUSA-N 1 3 244.382 2.403 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CCCO1 ZINC000251156696 385935273 /nfs/dbraw/zinc/93/52/73/385935273.db2.gz BOFCXGWBJPMSTJ-HZSPNIEDSA-N 1 3 240.391 2.066 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCC1)CC2 ZINC000335054622 385953861 /nfs/dbraw/zinc/95/38/61/385953861.db2.gz RZQUGLCSNQFGBR-CQSZACIVSA-N 1 3 230.355 2.453 20 0 BEADHO Cc1cccc2c1CC[C@H]2[NH2+]CC1(N)CCC1 ZINC000335054660 385954682 /nfs/dbraw/zinc/95/46/82/385954682.db2.gz SXYCVYMIDDIMCE-CQSZACIVSA-N 1 3 230.355 2.453 20 0 BEADHO NC1(C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC000335054679 385954768 /nfs/dbraw/zinc/95/47/68/385954768.db2.gz UIHVUYLMZUGXFE-CYBMUJFWSA-N 1 3 216.328 2.145 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@H](CO)CC(C)C ZINC000338297785 385958856 /nfs/dbraw/zinc/95/88/56/385958856.db2.gz XCKDIFSAEXLNMQ-AWEZNQCLSA-N 1 3 244.423 2.057 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@H](CO)CC(C)C ZINC000338297785 385958860 /nfs/dbraw/zinc/95/88/60/385958860.db2.gz XCKDIFSAEXLNMQ-AWEZNQCLSA-N 1 3 244.423 2.057 20 0 BEADHO CC[C@H](C[NH2+]C[C@@H](C)CN)c1ccccc1 ZINC000414879992 385963874 /nfs/dbraw/zinc/96/38/74/385963874.db2.gz QFOWJKLSJZRESR-QWHCGFSZSA-N 1 3 220.360 2.365 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000335015542 385971224 /nfs/dbraw/zinc/97/12/24/385971224.db2.gz ZDMBAUQENDMVDX-ZFQMDJOTSA-N 1 3 210.365 2.281 20 0 BEADHO CCC[C@H](C)C[NH2+][C@@H]1CCNCC1(C)C ZINC000414973971 385999735 /nfs/dbraw/zinc/99/97/35/385999735.db2.gz NGSLSTYQESIHKN-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cc(C[NH2+]C[C@H](N)C2CC2)ccc1Cl ZINC000414885317 386055732 /nfs/dbraw/zinc/05/57/32/386055732.db2.gz GJKLYADDYDQSMX-ZDUSSCGKSA-N 1 3 238.762 2.475 20 0 BEADHO CCCc1cccc(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000414881955 386009846 /nfs/dbraw/zinc/00/98/46/386009846.db2.gz BEXYMPTZLPDKRD-OAHLLOKOSA-N 1 3 232.371 2.466 20 0 BEADHO C1CCC2(C1)CCC[C@@H]2[NH2+][C@H]1CCNC1 ZINC000335062131 386029206 /nfs/dbraw/zinc/02/92/06/386029206.db2.gz XISGHRJVTVXBQU-RYUDHWBXSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)CN(C)C ZINC000291762328 386041209 /nfs/dbraw/zinc/04/12/09/386041209.db2.gz RQIDVZPJBGBLBT-LLVKDONJSA-N 1 3 224.323 2.113 20 0 BEADHO Cc1ccc(C)c(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000414884834 386049819 /nfs/dbraw/zinc/04/98/19/386049819.db2.gz BJOUOKFWFKKULG-CQSZACIVSA-N 1 3 218.344 2.130 20 0 BEADHO Cc1cnccc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000334455347 386105079 /nfs/dbraw/zinc/10/50/79/386105079.db2.gz OCOSGPUQOJNGBN-ZIAGYGMSSA-N 1 3 245.370 2.453 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2[NH2+]C1CCNCC1 ZINC000038040685 386118397 /nfs/dbraw/zinc/11/83/97/386118397.db2.gz JGOIQLVNQBIZQU-AWEZNQCLSA-N 1 3 216.328 2.016 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340254716 386118553 /nfs/dbraw/zinc/11/85/53/386118553.db2.gz FKYLTDAEYWDBMA-YNEHKIRRSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCOC2(C)C)C1 ZINC000340254716 386118561 /nfs/dbraw/zinc/11/85/61/386118561.db2.gz FKYLTDAEYWDBMA-YNEHKIRRSA-N 1 3 240.391 2.016 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000340254710 386119924 /nfs/dbraw/zinc/11/99/24/386119924.db2.gz FKYLTDAEYWDBMA-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCOC2(C)C)C1 ZINC000340254710 386119929 /nfs/dbraw/zinc/11/99/29/386119929.db2.gz FKYLTDAEYWDBMA-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccccc1F ZINC000414981891 386063795 /nfs/dbraw/zinc/06/37/95/386063795.db2.gz CKDGMYSKLQFRNZ-YPMHNXCESA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@H]([NH3+])CNC[C@@H](C)c1ccc(F)cc1 ZINC000414982372 386065556 /nfs/dbraw/zinc/06/55/56/386065556.db2.gz DBRDVLLKQWBFCN-MFKMUULPSA-N 1 3 224.323 2.256 20 0 BEADHO Cc1ccccc1C[C@@H](C)NC[C@H]([NH3+])C1CC1 ZINC000414885821 386070216 /nfs/dbraw/zinc/07/02/16/386070216.db2.gz GTHYTZFCPBHHJO-DOMZBBRYSA-N 1 3 232.371 2.253 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cccc(OC(F)F)c1 ZINC000414887484 386082841 /nfs/dbraw/zinc/08/28/41/386082841.db2.gz QKQYUQYSCZLKJN-VIFPVBQESA-N 1 3 244.285 2.115 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000414675938 386155299 /nfs/dbraw/zinc/15/52/99/386155299.db2.gz GYTXYKYTGZQBBZ-CQSZACIVSA-N 1 3 218.344 2.042 20 0 BEADHO NCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000414675938 386155302 /nfs/dbraw/zinc/15/53/02/386155302.db2.gz GYTXYKYTGZQBBZ-CQSZACIVSA-N 1 3 218.344 2.042 20 0 BEADHO [NH3+]CCCN1CCC[C@@H]1Cc1ccccc1 ZINC000414675938 386155307 /nfs/dbraw/zinc/15/53/07/386155307.db2.gz GYTXYKYTGZQBBZ-CQSZACIVSA-N 1 3 218.344 2.042 20 0 BEADHO CN(CCC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000106164353 386156894 /nfs/dbraw/zinc/15/68/94/386156894.db2.gz CHZJADGLZLIALG-CQSZACIVSA-N 1 3 218.344 2.345 20 0 BEADHO CCOC[C@@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414686905 386176165 /nfs/dbraw/zinc/17/61/65/386176165.db2.gz BTGZDVDHGUWMHF-ZIAGYGMSSA-N 1 3 242.407 2.108 20 0 BEADHO CCOC[C@@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414686905 386176167 /nfs/dbraw/zinc/17/61/67/386176167.db2.gz BTGZDVDHGUWMHF-ZIAGYGMSSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@H](CC[NH3+])NC/C=C\c1ccc(F)cc1F ZINC000414895402 386185651 /nfs/dbraw/zinc/18/56/51/386185651.db2.gz NNACRKREWIRDNY-MXQLGCADSA-N 1 3 240.297 2.305 20 0 BEADHO CC[NH+]1CCC(N[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000414342604 386132742 /nfs/dbraw/zinc/13/27/42/386132742.db2.gz QCWULOCTYCDVAW-CHWSQXEVSA-N 1 3 234.343 2.209 20 0 BEADHO [NH3+]CCCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414691844 386189355 /nfs/dbraw/zinc/18/93/55/386189355.db2.gz JVTCFIGXPKGYNV-GFCCVEGCSA-N 1 3 238.762 2.478 20 0 BEADHO c1csc([C@@H]2CCCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647872813 386141010 /nfs/dbraw/zinc/14/10/10/386141010.db2.gz WXSJDKSHDPPKIF-RYUDHWBXSA-N 1 3 236.384 2.495 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2(C)CCC2)C1 ZINC000340282431 386204539 /nfs/dbraw/zinc/20/45/39/386204539.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC000340282431 386204545 /nfs/dbraw/zinc/20/45/45/386204545.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CC2(C)CCC2)C1 ZINC000340282431 386204549 /nfs/dbraw/zinc/20/45/49/386204549.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CC2(C)CCC2)C1 ZINC000340282431 386204554 /nfs/dbraw/zinc/20/45/54/386204554.db2.gz KDSTZLZOIILNQP-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO [NH3+]CCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000414699543 386204506 /nfs/dbraw/zinc/20/45/06/386204506.db2.gz IRIJVWMTSLEJOB-CQSZACIVSA-N 1 3 236.334 2.181 20 0 BEADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)CCN ZINC000414896748 386206427 /nfs/dbraw/zinc/20/64/27/386206427.db2.gz PUCCQSACXONEEU-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@@H](C)CC[NH3+] ZINC000414896748 386206433 /nfs/dbraw/zinc/20/64/33/386206433.db2.gz PUCCQSACXONEEU-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](CN)C[C@@H]2C)c1 ZINC000131678147 386213981 /nfs/dbraw/zinc/21/39/81/386213981.db2.gz DJCRXGQGHNOFAK-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)c1 ZINC000131678147 386213984 /nfs/dbraw/zinc/21/39/84/386213984.db2.gz DJCRXGQGHNOFAK-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN)C1(CC)CC ZINC000414704077 386216152 /nfs/dbraw/zinc/21/61/52/386216152.db2.gz JEXHXUNDIIFAGS-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN)C1(CC)CC ZINC000414704077 386216154 /nfs/dbraw/zinc/21/61/54/386216154.db2.gz JEXHXUNDIIFAGS-STQMWFEESA-N 1 3 242.407 2.251 20 0 BEADHO c1ccc2c(c1)CC[C@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000132015986 386219069 /nfs/dbraw/zinc/21/90/69/386219069.db2.gz PENMQFUCTYRLGJ-IUODEOHRSA-N 1 3 230.355 2.263 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000340562107 386228893 /nfs/dbraw/zinc/22/88/93/386228893.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000340562107 386228897 /nfs/dbraw/zinc/22/88/97/386228897.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CC2(SC)CC2)C1 ZINC000340562107 386228903 /nfs/dbraw/zinc/22/89/03/386228903.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CC2(SC)CC2)C1 ZINC000340562107 386228908 /nfs/dbraw/zinc/22/89/08/386228908.db2.gz VIGRFMFMEPCOIS-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066400 386232667 /nfs/dbraw/zinc/23/26/67/386232667.db2.gz BZKLPLKIBXGSBJ-SNPRPXQTSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066400 386232675 /nfs/dbraw/zinc/23/26/75/386232675.db2.gz BZKLPLKIBXGSBJ-SNPRPXQTSA-N 1 3 248.370 2.427 20 0 BEADHO [NH3+][C@H](CNC[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000414895612 386194211 /nfs/dbraw/zinc/19/42/11/386194211.db2.gz YEINCCNDHZINHT-SOUVJXGZSA-N 1 3 230.355 2.117 20 0 BEADHO C(C[N@@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000336663055 386281149 /nfs/dbraw/zinc/28/11/49/386281149.db2.gz DTRACCJHCKOGMU-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C(C[N@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000336663055 386281153 /nfs/dbraw/zinc/28/11/53/386281153.db2.gz DTRACCJHCKOGMU-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C(CN1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000336663055 386281159 /nfs/dbraw/zinc/28/11/59/386281159.db2.gz DTRACCJHCKOGMU-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C[C@@H]1C[C@@H](c2ccccc2)CN1C[C@H]1CC[NH2+]C1 ZINC000647885884 386297103 /nfs/dbraw/zinc/29/71/03/386297103.db2.gz DRFTWKROMNKOCK-IJEWVQPXSA-N 1 3 244.382 2.474 20 0 BEADHO Cc1ccncc1CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414738293 386317510 /nfs/dbraw/zinc/31/75/10/386317510.db2.gz JAWYYYCAMWOYLV-UONOGXRCSA-N 1 3 247.386 2.210 20 0 BEADHO CSCCN(C)C1CC[NH+](C(C)C)CC1 ZINC000336650724 386263655 /nfs/dbraw/zinc/26/36/55/386263655.db2.gz SYBHYDJMXPLORJ-UHFFFAOYSA-N 1 3 230.421 2.154 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)Cc1cccc(N)c1 ZINC000340581680 386278348 /nfs/dbraw/zinc/27/83/48/386278348.db2.gz DHCYAONWHHGFOE-CQSZACIVSA-N 1 3 235.375 2.074 20 0 BEADHO C[C@@H]1[C@H](c2ccccc2)CCN1C[C@@H]1CC[NH2+]C1 ZINC000647889348 386356654 /nfs/dbraw/zinc/35/66/54/386356654.db2.gz JBTNKLCXSKJPCF-IIAWOOMASA-N 1 3 244.382 2.474 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000063191807 386365303 /nfs/dbraw/zinc/36/53/03/386365303.db2.gz AFERYDOMUDHULF-JSGCOSHPSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000063191807 386365309 /nfs/dbraw/zinc/36/53/09/386365309.db2.gz AFERYDOMUDHULF-JSGCOSHPSA-N 1 3 218.344 2.388 20 0 BEADHO COc1ccc([C@H](C)C[N@H+](C)C2CC(N)C2)cc1 ZINC000414769383 386446368 /nfs/dbraw/zinc/44/63/68/386446368.db2.gz KBBLNRCSVFDBBN-LMWSTFAQSA-N 1 3 248.370 2.220 20 0 BEADHO COc1ccc([C@H](C)C[N@@H+](C)C2CC(N)C2)cc1 ZINC000414769383 386446374 /nfs/dbraw/zinc/44/63/74/386446374.db2.gz KBBLNRCSVFDBBN-LMWSTFAQSA-N 1 3 248.370 2.220 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)CN(C)C ZINC000291709200 386448152 /nfs/dbraw/zinc/44/81/52/386448152.db2.gz LBHIQBFSBLKSBP-XJKSGUPXSA-N 1 3 246.398 2.331 20 0 BEADHO CSc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000415008608 386389501 /nfs/dbraw/zinc/38/95/01/386389501.db2.gz MZDCWKLMNHDPQF-NXEZZACHSA-N 1 3 224.373 2.234 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)[C@@H]1C ZINC000336776738 386399244 /nfs/dbraw/zinc/39/92/44/386399244.db2.gz GMLPXUPROGSJBO-POQQGIQPSA-N 1 3 224.392 2.493 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CCc2ccncc2)CC1 ZINC000277152417 386413399 /nfs/dbraw/zinc/41/33/99/386413399.db2.gz JRBRROPCKKIQOX-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000277152417 386413403 /nfs/dbraw/zinc/41/34/03/386413403.db2.gz JRBRROPCKKIQOX-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO c1coc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451633 386414232 /nfs/dbraw/zinc/41/42/32/386414232.db2.gz ACTOBCLKHMPQNO-ZNMIVQPWSA-N 1 3 248.370 2.332 20 0 BEADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414909749 386416277 /nfs/dbraw/zinc/41/62/77/386416277.db2.gz CJRMHTJPEXAJOL-MRVWCRGKSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1ccccc1 ZINC000093462326 386416912 /nfs/dbraw/zinc/41/69/12/386416912.db2.gz QURXJOUDYSAHGI-HIFRSBDPSA-N 1 3 232.371 2.349 20 0 BEADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccnc1 ZINC000160881318 386424665 /nfs/dbraw/zinc/42/46/65/386424665.db2.gz LKRGSACBTKPNEZ-OBJOEFQTSA-N 1 3 233.359 2.250 20 0 BEADHO C[C@H](Cc1ccccc1F)[NH2+]C1CCNCC1 ZINC000414776537 386480615 /nfs/dbraw/zinc/48/06/15/386480615.db2.gz FOQMEGDOROMOTA-LLVKDONJSA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H](Cc1ccccc1F)NC1CC[NH2+]CC1 ZINC000414776537 386480622 /nfs/dbraw/zinc/48/06/22/386480622.db2.gz FOQMEGDOROMOTA-LLVKDONJSA-N 1 3 236.334 2.098 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336778959 386480616 /nfs/dbraw/zinc/48/06/16/386480616.db2.gz MVFBLAUCWFHLCD-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H](Cc1ccccc1)CN(C)C1CC([NH3+])C1 ZINC000414778487 386489655 /nfs/dbraw/zinc/48/96/55/386489655.db2.gz QEMYLKRHUDLFRZ-GRTSSRMGSA-N 1 3 232.371 2.287 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCNCC1 ZINC000062050498 386491413 /nfs/dbraw/zinc/49/14/13/386491413.db2.gz ZVRDTUXVCWNHLQ-NSHDSACASA-N 1 3 236.334 2.098 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)NC1CC[NH2+]CC1 ZINC000062050498 386491415 /nfs/dbraw/zinc/49/14/15/386491415.db2.gz ZVRDTUXVCWNHLQ-NSHDSACASA-N 1 3 236.334 2.098 20 0 BEADHO Cc1ccc(F)c(CN[C@H](C)CCC[NH3+])c1 ZINC000415015444 386500520 /nfs/dbraw/zinc/50/05/20/386500520.db2.gz ARWBGMCWPWXVFK-LLVKDONJSA-N 1 3 224.323 2.351 20 0 BEADHO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)[C@H](C)N ZINC000415014987 386501399 /nfs/dbraw/zinc/50/13/99/386501399.db2.gz MQUADZKUHNETQZ-FCVPOFOPSA-N 1 3 240.297 2.303 20 0 BEADHO C[C@H]([NH3+])[C@H](C)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000415019166 386505515 /nfs/dbraw/zinc/50/55/15/386505515.db2.gz RPIWFSXSZPDEMU-RVBZMBCESA-N 1 3 238.762 2.133 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCNC1(C)C ZINC000415050428 386505815 /nfs/dbraw/zinc/50/58/15/386505815.db2.gz YRZGXQANNBBQKH-NEPJUHHUSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCNC1(C)C ZINC000415050432 386506264 /nfs/dbraw/zinc/50/62/64/386506264.db2.gz YRZGXQANNBBQKH-RYUDHWBXSA-N 1 3 212.381 2.399 20 0 BEADHO c1cc(C2CC2)ccc1C[NH2+]C1CCNCC1 ZINC000414784123 386506351 /nfs/dbraw/zinc/50/63/51/386506351.db2.gz RNUNLEPJWHSJSX-UHFFFAOYSA-N 1 3 230.355 2.406 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCC[C@H](C)C1 ZINC000415050481 386506687 /nfs/dbraw/zinc/50/66/87/386506687.db2.gz CWZZBTQGWYSFDC-CYDGBPFRSA-N 1 3 210.365 2.234 20 0 BEADHO CCC[C@@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415019925 386509281 /nfs/dbraw/zinc/50/92/81/386509281.db2.gz AJFDIMPRXVOPCL-CAOSSQGBSA-N 1 3 244.382 2.205 20 0 BEADHO c1ccc([C@H]2CCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415052325 386509649 /nfs/dbraw/zinc/50/96/49/386509649.db2.gz CMFLEJKPDFSBGC-OWYFMNJBSA-N 1 3 242.366 2.130 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415022583 386510896 /nfs/dbraw/zinc/51/08/96/386510896.db2.gz VPHULTDLTHDORR-GHMZBOCLSA-N 1 3 218.344 2.389 20 0 BEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000415030707 386519850 /nfs/dbraw/zinc/51/98/50/386519850.db2.gz FWWBSKCKDJMUOO-BXKDBHETSA-N 1 3 240.297 2.182 20 0 BEADHO CC(C)[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000415034960 386521969 /nfs/dbraw/zinc/52/19/69/386521969.db2.gz KGRLQOOJPXJMKB-GHRCFYLDSA-N 1 3 236.403 2.255 20 0 BEADHO CCC[C@H](C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000414915587 386523707 /nfs/dbraw/zinc/52/37/07/386523707.db2.gz ZRXWQASBQSIQJY-STQMWFEESA-N 1 3 212.381 2.402 20 0 BEADHO C(CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCCCC1 ZINC000415037779 386524609 /nfs/dbraw/zinc/52/46/09/386524609.db2.gz NGOKEZCNHVHNAJ-WDNDVIMCSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000415010358 386455303 /nfs/dbraw/zinc/45/53/03/386455303.db2.gz OYWILMCAJZEGFN-QWRGUYRKSA-N 1 3 229.327 2.060 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414800787 386585923 /nfs/dbraw/zinc/58/59/23/386585923.db2.gz LJOFKNZRPMESHP-MGPQQGTHSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)Cc1ccoc1 ZINC000336757411 386586611 /nfs/dbraw/zinc/58/66/11/386586611.db2.gz YYWCOSMDHKRVFQ-RYUDHWBXSA-N 1 3 224.348 2.140 20 0 BEADHO C[C@]1(CNC[C@@H]2CCc3ccccc32)CC[NH2+]C1 ZINC000415077696 386587467 /nfs/dbraw/zinc/58/74/67/386587467.db2.gz HVLQIYNQWWNGNV-HOCLYGCPSA-N 1 3 244.382 2.306 20 0 BEADHO [NH3+]C[C@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000415045505 386532520 /nfs/dbraw/zinc/53/25/20/386532520.db2.gz UDKVTEREIJTVBJ-YUMQZZPRSA-N 1 3 245.779 2.014 20 0 BEADHO CC(C)(N)C[N@@H+]1CCCc2ccccc2C1 ZINC000062946154 386535289 /nfs/dbraw/zinc/53/52/89/386535289.db2.gz SYLJADALLDQNOO-UHFFFAOYSA-N 1 3 218.344 2.172 20 0 BEADHO CC(C)(N)C[N@H+]1CCCc2ccccc2C1 ZINC000062946154 386535294 /nfs/dbraw/zinc/53/52/94/386535294.db2.gz SYLJADALLDQNOO-UHFFFAOYSA-N 1 3 218.344 2.172 20 0 BEADHO CCCC[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415063853 386543769 /nfs/dbraw/zinc/54/37/69/386543769.db2.gz PLWYHOSRWJJDDB-ODXJTPSBSA-N 1 3 222.376 2.153 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000415064262 386544740 /nfs/dbraw/zinc/54/47/40/386544740.db2.gz CDUMNPHXWGDTAG-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)([NH3+])CNC[C@H]1CCc2ccccc21 ZINC000415084088 386597087 /nfs/dbraw/zinc/59/70/87/386597087.db2.gz QXQDPPXMWCWXDR-GFCCVEGCSA-N 1 3 218.344 2.043 20 0 BEADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCC1 ZINC000414918543 386546619 /nfs/dbraw/zinc/54/66/19/386546619.db2.gz UTTMZOABGIYFFC-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000415066485 386547630 /nfs/dbraw/zinc/54/76/30/386547630.db2.gz IWRHKTRGNOUUGB-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO Fc1ccc(/C=C\C[NH2+]C2CCNCC2)cc1 ZINC000414791886 386550374 /nfs/dbraw/zinc/55/03/74/386550374.db2.gz RGGAGXAMZSBUBM-UPHRSURJSA-N 1 3 234.318 2.181 20 0 BEADHO C[C@@H](CCC(F)(F)F)N[C@@H]1CCCC[NH2+]C1 ZINC000415070987 386553533 /nfs/dbraw/zinc/55/35/33/386553533.db2.gz JJHGOIBKIDWTPA-VHSXEESVSA-N 1 3 238.297 2.449 20 0 BEADHO CC[N@@H+]1CC[C@H](NCC=C(C)C)[C@H](C)C1 ZINC000188447208 386554751 /nfs/dbraw/zinc/55/47/51/386554751.db2.gz XHCPIYDFYBWYDN-OLZOCXBDSA-N 1 3 210.365 2.273 20 0 BEADHO CC[N@H+]1CC[C@H](NCC=C(C)C)[C@H](C)C1 ZINC000188447208 386554753 /nfs/dbraw/zinc/55/47/53/386554753.db2.gz XHCPIYDFYBWYDN-OLZOCXBDSA-N 1 3 210.365 2.273 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCC=C(C)C)[C@H](C)C1 ZINC000188447232 386556746 /nfs/dbraw/zinc/55/67/46/386556746.db2.gz XHCPIYDFYBWYDN-CHWSQXEVSA-N 1 3 210.365 2.273 20 0 BEADHO CC[N@H+]1CC[C@@H](NCC=C(C)C)[C@H](C)C1 ZINC000188447232 386556754 /nfs/dbraw/zinc/55/67/54/386556754.db2.gz XHCPIYDFYBWYDN-CHWSQXEVSA-N 1 3 210.365 2.273 20 0 BEADHO Cc1cccc(C[NH2+]C[C@@H](N)C(C)C)c1 ZINC000414794744 386560395 /nfs/dbraw/zinc/56/03/95/386560395.db2.gz MBTUQYIJSVNZIM-CYBMUJFWSA-N 1 3 206.333 2.068 20 0 BEADHO C[C@H](CC1CC1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919809 386562805 /nfs/dbraw/zinc/56/28/05/386562805.db2.gz XUAAOESODCJXIV-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO COCc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414795560 386572431 /nfs/dbraw/zinc/57/24/31/386572431.db2.gz MYOITAUEVJOTMQ-CABCVRRESA-N 1 3 248.370 2.050 20 0 BEADHO CC[C@H](Cc1ccccc1)NCC(C)(C)[NH3+] ZINC000414811287 386634036 /nfs/dbraw/zinc/63/40/36/386634036.db2.gz YXGYERPIDJYDOI-CYBMUJFWSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H](Cc1ccccc1)NCC(C)(C)[NH3+] ZINC000414811288 386634600 /nfs/dbraw/zinc/63/46/00/386634600.db2.gz YXGYERPIDJYDOI-ZDUSSCGKSA-N 1 3 220.360 2.335 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000300987391 386634938 /nfs/dbraw/zinc/63/49/38/386634938.db2.gz VBERXDRECRSPLG-BFHYXJOUSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000300987391 386634945 /nfs/dbraw/zinc/63/49/45/386634945.db2.gz VBERXDRECRSPLG-BFHYXJOUSA-N 1 3 224.392 2.352 20 0 BEADHO CCC(CC)(CCO)CNC[C@@H]([NH3+])CC(C)C ZINC000415081924 386599628 /nfs/dbraw/zinc/59/96/28/386599628.db2.gz LHCBUMFGTVTWHN-ZDUSSCGKSA-N 1 3 244.423 2.138 20 0 BEADHO Cc1occc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414461920 386602124 /nfs/dbraw/zinc/60/21/24/386602124.db2.gz LMVKSTQHPRQJOA-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1occc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000414461920 386602129 /nfs/dbraw/zinc/60/21/29/386602129.db2.gz LMVKSTQHPRQJOA-ZDUSSCGKSA-N 1 3 236.359 2.410 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1 ZINC000414805467 386602430 /nfs/dbraw/zinc/60/24/30/386602430.db2.gz YNSPLXAMGPMCAL-SMDDNHRTSA-N 1 3 238.350 2.330 20 0 BEADHO COc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1C ZINC000414803870 386606357 /nfs/dbraw/zinc/60/63/57/386606357.db2.gz OIXCADCGJDIFTO-UONOGXRCSA-N 1 3 248.370 2.221 20 0 BEADHO CC(C)(N)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414804658 386608156 /nfs/dbraw/zinc/60/81/56/386608156.db2.gz NVLWFIPLIIHBPI-ONEGZZNKSA-N 1 3 222.307 2.166 20 0 BEADHO COC1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000414805367 386611357 /nfs/dbraw/zinc/61/13/57/386611357.db2.gz POZSNNNWDOPWOB-GFJIZPEISA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCC1)[C@@H]1CCCNC1 ZINC000414818684 386666793 /nfs/dbraw/zinc/66/67/93/386666793.db2.gz FSVRVCVXZUMXTC-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000414926224 386669946 /nfs/dbraw/zinc/66/99/46/386669946.db2.gz KNKVSHXAUWTNJW-NFAWXSAZSA-N 1 3 232.371 2.378 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414821363 386676266 /nfs/dbraw/zinc/67/62/66/386676266.db2.gz DVKRWCCGCAGNHM-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821333 386678108 /nfs/dbraw/zinc/67/81/08/386678108.db2.gz BEBQIMZSSNZZJD-FUNVUKJBSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+]CC[C@H](C)N ZINC000414823864 386681116 /nfs/dbraw/zinc/68/11/16/386681116.db2.gz POEXPFVPDZYDKO-QWHCGFSZSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@H](CCc1ccccc1)NCC[C@H](C)[NH3+] ZINC000414823864 386681124 /nfs/dbraw/zinc/68/11/24/386681124.db2.gz POEXPFVPDZYDKO-QWHCGFSZSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000337256635 386691930 /nfs/dbraw/zinc/69/19/30/386691930.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H](C)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256635 386691937 /nfs/dbraw/zinc/69/19/37/386691937.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000337256635 386691945 /nfs/dbraw/zinc/69/19/45/386691945.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000337256635 386691956 /nfs/dbraw/zinc/69/19/56/386691956.db2.gz SMVXTMXOIQISSJ-OCCSQVGLSA-N 1 3 224.392 2.449 20 0 BEADHO C(NC(C1CCC1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000324982886 386703988 /nfs/dbraw/zinc/70/39/88/386703988.db2.gz TWWRIUQSPRLIAX-CYBMUJFWSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+]C(C1CCC1)C1CCC1)[C@H]1CCCN1 ZINC000324982886 386703997 /nfs/dbraw/zinc/70/39/97/386703997.db2.gz TWWRIUQSPRLIAX-CYBMUJFWSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1ccc(F)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414835960 386731278 /nfs/dbraw/zinc/73/12/78/386731278.db2.gz SGWILVLIPCUZJZ-LBPRGKRZSA-N 1 3 236.334 2.223 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCNC1 ZINC000414838718 386739134 /nfs/dbraw/zinc/73/91/34/386739134.db2.gz XGKANYORDRISDH-VHSXEESVSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@@]1(C[NH2+][C@@H]2CCC23CCC3)CCCNC1 ZINC000335486503 386717332 /nfs/dbraw/zinc/71/73/32/386717332.db2.gz HEMROZIZAVYCEE-CHWSQXEVSA-N 1 3 222.376 2.298 20 0 BEADHO CCCC(CCC)[NH2+]C[C@H](C)CNC ZINC000414832719 386721901 /nfs/dbraw/zinc/72/19/01/386721901.db2.gz FQJDYWVMDBYYCP-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO C[NH2+]CCN[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414834321 386724234 /nfs/dbraw/zinc/72/42/34/386724234.db2.gz TWMRPRRIXUGWJC-CABCVRRESA-N 1 3 232.371 2.207 20 0 BEADHO CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414842549 386763845 /nfs/dbraw/zinc/76/38/45/386763845.db2.gz BKHOABKXGVYNQH-DGCLKSJQSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](NCC1(C2CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000395242257 386789763 /nfs/dbraw/zinc/78/97/63/386789763.db2.gz YZHOSIWCXBQMMU-YPMHNXCESA-N 1 3 222.376 2.297 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000414844870 386772081 /nfs/dbraw/zinc/77/20/81/386772081.db2.gz RQNBWCGJMHTKAA-MROQNXINSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@H]1CCC[C@H](CN(C)C2CC([NH3+])C2)C1 ZINC000394999403 386797531 /nfs/dbraw/zinc/79/75/31/386797531.db2.gz FPRYAGIQCFMSNG-ZSVAQUKISA-N 1 3 210.365 2.234 20 0 BEADHO CC[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)OC ZINC000336669537 386801389 /nfs/dbraw/zinc/80/13/89/386801389.db2.gz AMPBCPHWPHYODT-BFHYXJOUSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+]C[C@H](C)CN(C)C ZINC000293364107 386834427 /nfs/dbraw/zinc/83/44/27/386834427.db2.gz HOELPCQAKDREFK-QWHCGFSZSA-N 1 3 238.375 2.388 20 0 BEADHO C[C@H](CCCCO)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398538510 386837759 /nfs/dbraw/zinc/83/77/59/386837759.db2.gz UBZKTNSUIGXBNT-DFBGVHRSSA-N 1 3 248.370 2.272 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000425341735 386844408 /nfs/dbraw/zinc/84/44/08/386844408.db2.gz GBNSOEVIKUBAQH-FVCCEPFGSA-N 1 3 242.432 2.343 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000425341735 386844411 /nfs/dbraw/zinc/84/44/11/386844411.db2.gz GBNSOEVIKUBAQH-FVCCEPFGSA-N 1 3 242.432 2.343 20 0 BEADHO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000425341738 386845730 /nfs/dbraw/zinc/84/57/30/386845730.db2.gz GBNSOEVIKUBAQH-ZDEQEGDKSA-N 1 3 242.432 2.343 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000425341738 386845737 /nfs/dbraw/zinc/84/57/37/386845737.db2.gz GBNSOEVIKUBAQH-ZDEQEGDKSA-N 1 3 242.432 2.343 20 0 BEADHO CCc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)cc[nH+]1 ZINC000334790254 386854473 /nfs/dbraw/zinc/85/44/73/386854473.db2.gz MJNXZWLNSIKTCV-SWLSCSKDSA-N 1 3 245.370 2.174 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CCN1 ZINC000414941964 386898580 /nfs/dbraw/zinc/89/85/80/386898580.db2.gz DCTDMQHBUYGENN-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]1CC(C)(C)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000334853326 386904712 /nfs/dbraw/zinc/90/47/12/386904712.db2.gz JWYZOBQIGWZKGN-AAEUAGOBSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC(C)(C)CN1C[C@]1(C)CC[NH2+]C1 ZINC000334853327 386905199 /nfs/dbraw/zinc/90/51/99/386905199.db2.gz JWYZOBQIGWZKGN-DGCLKSJQSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC(C)(C)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000334853329 386905278 /nfs/dbraw/zinc/90/52/78/386905278.db2.gz JWYZOBQIGWZKGN-YPMHNXCESA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@H]2C)cc1C ZINC000334857331 386908447 /nfs/dbraw/zinc/90/84/47/386908447.db2.gz NEPOYLPQYAEHLU-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCNC[C@H]2C)c1C ZINC000334857187 386909257 /nfs/dbraw/zinc/90/92/57/386909257.db2.gz LSGQOHCCGOXRKC-DOMZBBRYSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCNCC1 ZINC000334866412 386923766 /nfs/dbraw/zinc/92/37/66/386923766.db2.gz QDNRLGBWNBHYDY-XHDPSFHLSA-N 1 3 230.355 2.262 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCN[C@H](C)C1 ZINC000334866456 386923912 /nfs/dbraw/zinc/92/39/12/386923912.db2.gz WNJMFFPKSNPTAV-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000331932938 386928944 /nfs/dbraw/zinc/92/89/44/386928944.db2.gz IOQNHHSXIVDSAY-KBUPBQIOSA-N 1 3 246.354 2.024 20 0 BEADHO CN(C)C1CC[NH+](CCCCCF)CC1 ZINC000341832401 386970450 /nfs/dbraw/zinc/97/04/50/386970450.db2.gz AIEPVEXLAYDMOE-UHFFFAOYSA-N 1 3 216.344 2.152 20 0 BEADHO CS[C@H]1CC[C@H]1NCCC[N@H+](C)C(C)C ZINC000425359395 386977102 /nfs/dbraw/zinc/97/71/02/386977102.db2.gz PXXPEUNPIYTMNL-NEPJUHHUSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@H]1CC[C@H]1NCCC[N@@H+](C)C(C)C ZINC000425359395 386977108 /nfs/dbraw/zinc/97/71/08/386977108.db2.gz PXXPEUNPIYTMNL-NEPJUHHUSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@H]1CC[C@H]1[NH2+]CCCN(C)C(C)C ZINC000425359395 386977112 /nfs/dbraw/zinc/97/71/12/386977112.db2.gz PXXPEUNPIYTMNL-NEPJUHHUSA-N 1 3 230.421 2.200 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000104411918 387005738 /nfs/dbraw/zinc/00/57/38/387005738.db2.gz AQAZVTBZQOGHRO-UONOGXRCSA-N 1 3 248.370 2.125 20 0 BEADHO [NH3+]CC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000070074206 387044354 /nfs/dbraw/zinc/04/43/54/387044354.db2.gz ANRRTNRCUIFBLO-LBPRGKRZSA-N 1 3 236.334 2.387 20 0 BEADHO CCc1ccccc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000126875852 387055890 /nfs/dbraw/zinc/05/58/90/387055890.db2.gz BPGOMUXXMHZNTA-OCCSQVGLSA-N 1 3 232.371 2.418 20 0 BEADHO CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185709270 387058867 /nfs/dbraw/zinc/05/88/67/387058867.db2.gz AGFMLAUXFKWXCB-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO c1ccc2c(c1)nccc2NC[C@@H]1CCC[NH2+]1 ZINC000053255485 387022845 /nfs/dbraw/zinc/02/28/45/387022845.db2.gz GLRRFNVWIBOGNG-NSHDSACASA-N 1 3 227.311 2.399 20 0 BEADHO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000423299831 387130219 /nfs/dbraw/zinc/13/02/19/387130219.db2.gz CEAXQGRRBNURJR-SDDRHHMPSA-N 1 3 200.370 2.386 20 0 BEADHO CC[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000070613873 387070589 /nfs/dbraw/zinc/07/05/89/387070589.db2.gz VCLMMGRARILWOS-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]([NH3+])C1CCN(Cc2ccccc2F)CC1 ZINC000111611453 387084769 /nfs/dbraw/zinc/08/47/69/387084769.db2.gz UHIYNIMWYVVVTB-NSHDSACASA-N 1 3 236.334 2.385 20 0 BEADHO Cc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)c(C)n1 ZINC000334998249 387089595 /nfs/dbraw/zinc/08/95/95/387089595.db2.gz MXJULEFADXZNGG-GFCCVEGCSA-N 1 3 247.386 2.258 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000162207385 387090810 /nfs/dbraw/zinc/09/08/10/387090810.db2.gz HHVHTRMAZJWUAE-NEPJUHHUSA-N 1 3 241.338 2.408 20 0 BEADHO C[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCN1 ZINC000335010069 387105116 /nfs/dbraw/zinc/10/51/16/387105116.db2.gz MSPACGURZKSVRC-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423300742 387131623 /nfs/dbraw/zinc/13/16/23/387131623.db2.gz FGMLCSBYASDAIJ-GJZGRUSLSA-N 1 3 248.345 2.271 20 0 BEADHO Fc1ccc([C@@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423300742 387131626 /nfs/dbraw/zinc/13/16/26/387131626.db2.gz FGMLCSBYASDAIJ-GJZGRUSLSA-N 1 3 248.345 2.271 20 0 BEADHO c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCNCC1 ZINC000335026351 387118110 /nfs/dbraw/zinc/11/81/10/387118110.db2.gz ZGYUEFIOKSJOFP-CQSZACIVSA-N 1 3 244.382 2.448 20 0 BEADHO c1ccc2c(c1)CCC[C@@H]2CNC1CC[NH2+]CC1 ZINC000335026351 387118113 /nfs/dbraw/zinc/11/81/13/387118113.db2.gz ZGYUEFIOKSJOFP-CQSZACIVSA-N 1 3 244.382 2.448 20 0 BEADHO CCOc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000250639621 387120796 /nfs/dbraw/zinc/12/07/96/387120796.db2.gz WGAVVGBFHSRTLX-TZMCWYRMSA-N 1 3 248.370 2.254 20 0 BEADHO Cc1cc(C[NH2+][C@H]2CCCCC[C@H]2N)cc(C)n1 ZINC000335029636 387125087 /nfs/dbraw/zinc/12/50/87/387125087.db2.gz OCYOWHVWMSYHOB-CABCVRRESA-N 1 3 247.386 2.448 20 0 BEADHO c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423301536 387132473 /nfs/dbraw/zinc/13/24/73/387132473.db2.gz HKHRHVOOWUBGJH-HOTGVXAUSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423298620 387129165 /nfs/dbraw/zinc/12/91/65/387129165.db2.gz OUZDOYHPIWWCAR-RULNRJAQSA-N 1 3 236.334 2.243 20 0 BEADHO COc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])CCC2 ZINC000423299664 387129197 /nfs/dbraw/zinc/12/91/97/387129197.db2.gz QJJIIBHNFMCLKT-XHDPSFHLSA-N 1 3 248.370 2.257 20 0 BEADHO COc1cc([C@@H](C)NC[C@H](C)C[NH3+])ccc1F ZINC000423299530 387129510 /nfs/dbraw/zinc/12/95/10/387129510.db2.gz BSZNIXNVUFCDDS-NXEZZACHSA-N 1 3 240.322 2.080 20 0 BEADHO COc1ccc([C@H](C)NC[C@H](C)C[NH3+])c(C)c1 ZINC000423298710 387129916 /nfs/dbraw/zinc/12/99/16/387129916.db2.gz ATSHHWMOLMLSOZ-PWSUYJOCSA-N 1 3 236.359 2.249 20 0 BEADHO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1CNC1 ZINC000423299751 387130115 /nfs/dbraw/zinc/13/01/15/387130115.db2.gz CFNATHZYHUJCQO-MRXNPFEDSA-N 1 3 246.398 2.453 20 0 BEADHO CC(C)CC(CC(C)C)[NH2+]CC1CNC1 ZINC000423306184 387142362 /nfs/dbraw/zinc/14/23/62/387142362.db2.gz SIVVHLHDXDJJGN-UHFFFAOYSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)s1 ZINC000423325056 387143305 /nfs/dbraw/zinc/14/33/05/387143305.db2.gz PWNOGFSSEKWNFV-MWLCHTKSSA-N 1 3 224.373 2.444 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2cc(F)ccc21 ZINC000423308123 387143822 /nfs/dbraw/zinc/14/38/22/387143822.db2.gz NXLPTCXTWSSUDX-IINYFYTJSA-N 1 3 236.334 2.388 20 0 BEADHO C[C@H](F)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152869 387144734 /nfs/dbraw/zinc/14/47/34/387144734.db2.gz JIGMYRSTGGQOEQ-ACJTYDJDSA-N 1 3 228.355 2.292 20 0 BEADHO C[C@H](F)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152869 387144739 /nfs/dbraw/zinc/14/47/39/387144739.db2.gz JIGMYRSTGGQOEQ-ACJTYDJDSA-N 1 3 228.355 2.292 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)c(C)c1 ZINC000423310395 387145213 /nfs/dbraw/zinc/14/52/13/387145213.db2.gz AGBDJPXRLJLEQB-XHDPSFHLSA-N 1 3 248.370 2.392 20 0 BEADHO C[C@H](F)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000352402822 387147700 /nfs/dbraw/zinc/14/77/00/387147700.db2.gz QBWYJLQYHDSWQV-RYUDHWBXSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000352402822 387147704 /nfs/dbraw/zinc/14/77/04/387147704.db2.gz QBWYJLQYHDSWQV-RYUDHWBXSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000352402822 387147708 /nfs/dbraw/zinc/14/77/08/387147708.db2.gz QBWYJLQYHDSWQV-RYUDHWBXSA-N 1 3 216.344 2.151 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](N)C1CC1)CC2 ZINC000423313173 387151933 /nfs/dbraw/zinc/15/19/33/387151933.db2.gz FGKBUYCCJIEJPF-LSDHHAIUSA-N 1 3 246.354 2.009 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)CN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423313957 387153256 /nfs/dbraw/zinc/15/32/56/387153256.db2.gz XMGKBPHKAXJDBS-NEBZKDRISA-N 1 3 232.371 2.363 20 0 BEADHO N[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000423315573 387156610 /nfs/dbraw/zinc/15/66/10/387156610.db2.gz IZROADLRKUHREH-GJZGRUSLSA-N 1 3 230.355 2.465 20 0 BEADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000423315922 387157691 /nfs/dbraw/zinc/15/76/91/387157691.db2.gz JHHQDNLHMPKVJY-SMDDNHRTSA-N 1 3 218.344 2.383 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H](N)C1CC1 ZINC000423321175 387160870 /nfs/dbraw/zinc/16/08/70/387160870.db2.gz MXCGIRRGUXISMY-ZWZTZDBGSA-N 1 3 248.345 2.386 20 0 BEADHO CCC(CC)N(CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000062911980 387172832 /nfs/dbraw/zinc/17/28/32/387172832.db2.gz BHVVYSQNJNDHRA-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1c[nH+]ccc1NC[C@H]1N(C)CCCC1(C)C ZINC000359835368 387173040 /nfs/dbraw/zinc/17/30/40/387173040.db2.gz JKRYCIIZJIHIFA-CQSZACIVSA-N 1 3 247.386 2.344 20 0 BEADHO CCO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C12CCCCC2 ZINC000423329560 387173148 /nfs/dbraw/zinc/17/31/48/387173148.db2.gz OSELUCJGJXTKJE-UPJWGTAASA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1 ZINC000423329454 387173656 /nfs/dbraw/zinc/17/36/56/387173656.db2.gz SVBLGIZMMOAARL-KBPBESRZSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@H](Cc1ccoc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000423330711 387175587 /nfs/dbraw/zinc/17/55/87/387175587.db2.gz GAWBWIARFOCWBV-TZMCWYRMSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423330711 387175590 /nfs/dbraw/zinc/17/55/90/387175590.db2.gz GAWBWIARFOCWBV-TZMCWYRMSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccs1 ZINC000423330705 387176622 /nfs/dbraw/zinc/17/66/22/387176622.db2.gz PTGXRLKYIPKIER-VIFPVBQESA-N 1 3 210.346 2.280 20 0 BEADHO CC[C@H](NCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423341825 387189289 /nfs/dbraw/zinc/18/92/89/387189289.db2.gz KKDSTCYGUKZKNJ-ZDUSSCGKSA-N 1 3 249.333 2.181 20 0 BEADHO C[C@H](C[NH3+])N[C@H](C)CCc1c(F)cccc1F ZINC000423340818 387191045 /nfs/dbraw/zinc/19/10/45/387191045.db2.gz XLVUOSKJCKBJOT-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423301535 387133460 /nfs/dbraw/zinc/13/34/60/387133460.db2.gz HKHRHVOOWUBGJH-CVEARBPZSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H](c1cccnc1)C1CCC1 ZINC000423301790 387135290 /nfs/dbraw/zinc/13/52/90/387135290.db2.gz GNAVGJYSWGBAIO-FZMZJTMJSA-N 1 3 233.359 2.107 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2CNC2)C[C@@H]1C ZINC000423302465 387135812 /nfs/dbraw/zinc/13/58/12/387135812.db2.gz JPFFPZAIMOHQJT-YUTCNCBUSA-N 1 3 224.392 2.256 20 0 BEADHO Cc1cccc(C[C@H]([NH2+]CC2CNC2)C2CC2)c1 ZINC000423303063 387138157 /nfs/dbraw/zinc/13/81/57/387138157.db2.gz KXIQNGHVFXZKRP-INIZCTEOSA-N 1 3 244.382 2.125 20 0 BEADHO Cc1cccc(C[C@H](NCC2C[NH2+]C2)C2CC2)c1 ZINC000423303063 387138162 /nfs/dbraw/zinc/13/81/62/387138162.db2.gz KXIQNGHVFXZKRP-INIZCTEOSA-N 1 3 244.382 2.125 20 0 BEADHO N[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC000423325036 387139184 /nfs/dbraw/zinc/13/91/84/387139184.db2.gz PTHKNWUFQSOXAO-LSDHHAIUSA-N 1 3 230.355 2.391 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H]1CCCF ZINC000423305382 387140294 /nfs/dbraw/zinc/14/02/94/387140294.db2.gz BNFHOWFUXRKNDE-QWHCGFSZSA-N 1 3 230.371 2.494 20 0 BEADHO c1ccc([C@@H]2CC[C@@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423304412 387140577 /nfs/dbraw/zinc/14/05/77/387140577.db2.gz NUJYCFYHQDHZIC-HUUCEWRRSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@@H]2CC[C@@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423304412 387140580 /nfs/dbraw/zinc/14/05/80/387140580.db2.gz NUJYCFYHQDHZIC-HUUCEWRRSA-N 1 3 230.355 2.132 20 0 BEADHO Cc1ccc([C@H](C)NCC2=CC[NH2+]CC2)o1 ZINC000423350558 387202206 /nfs/dbraw/zinc/20/22/06/387202206.db2.gz ZRIGZYGGGBKSNN-NSHDSACASA-N 1 3 220.316 2.158 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCSCC1 ZINC000423365094 387216752 /nfs/dbraw/zinc/21/67/52/387216752.db2.gz CVEVEBBQKUUCRF-NQBHXWOUSA-N 1 3 242.432 2.106 20 0 BEADHO COCC1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000423368810 387220598 /nfs/dbraw/zinc/22/05/98/387220598.db2.gz NPNOGEPQLPFAHN-FKZOYECMSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC12CCCC2 ZINC000423370001 387224224 /nfs/dbraw/zinc/22/42/24/387224224.db2.gz TZFIRTSJEBYFKI-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000230048671 387229130 /nfs/dbraw/zinc/22/91/30/387229130.db2.gz WBTDBTBXAMNBMC-VHDGCEQUSA-N 1 3 248.345 2.385 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000423401435 387236823 /nfs/dbraw/zinc/23/68/23/387236823.db2.gz QWJJZTKNHPDGRI-MROQNXINSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC[C@H](C)O ZINC000300698544 387238917 /nfs/dbraw/zinc/23/89/17/387238917.db2.gz KIBVOUWEJBCZPR-HZSPNIEDSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@H](O)CCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000300698545 387239014 /nfs/dbraw/zinc/23/90/14/387239014.db2.gz KIBVOUWEJBCZPR-MELADBBJSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@H](CCc1c(F)cccc1F)N[C@@H](C)C[NH3+] ZINC000423408419 387243544 /nfs/dbraw/zinc/24/35/44/387243544.db2.gz XLVUOSKJCKBJOT-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424229 387251202 /nfs/dbraw/zinc/25/12/02/387251202.db2.gz FMXPJADMIIBWNY-JNWWKETESA-N 1 3 236.403 2.255 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424935 387251865 /nfs/dbraw/zinc/25/18/65/387251865.db2.gz GCRUOLWBVSFMQV-AJSWTNHPSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1CC1(C)C ZINC000423346759 387196778 /nfs/dbraw/zinc/19/67/78/387196778.db2.gz QCTGHGVOVXIATH-OBJOEFQTSA-N 1 3 224.392 2.400 20 0 BEADHO COc1ccccc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423349449 387200902 /nfs/dbraw/zinc/20/09/02/387200902.db2.gz WUPREJDPAVJKCP-LBPRGKRZSA-N 1 3 246.354 2.266 20 0 BEADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1C[C@H]1C ZINC000423348663 387201136 /nfs/dbraw/zinc/20/11/36/387201136.db2.gz UGXARFUCYAZQJI-NDBYEHHHSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2C ZINC000423462645 387310352 /nfs/dbraw/zinc/31/03/52/387310352.db2.gz KXURSSDJWFTFHS-RISCZKNCSA-N 1 3 218.344 2.309 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2c1cccc2C ZINC000423462644 387310454 /nfs/dbraw/zinc/31/04/54/387310454.db2.gz KXURSSDJWFTFHS-FZMZJTMJSA-N 1 3 218.344 2.309 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423463689 387313564 /nfs/dbraw/zinc/31/35/64/387313564.db2.gz LMYQMOZVGUMEBK-DUFXMDAXSA-N 1 3 236.334 2.386 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423470280 387316436 /nfs/dbraw/zinc/31/64/36/387316436.db2.gz PCXPBYWFTKZUHK-FZMZJTMJSA-N 1 3 233.359 2.260 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)[C@H]1C[C@H]1C ZINC000423385678 387269315 /nfs/dbraw/zinc/26/93/15/387269315.db2.gz GWVAJBVJNOEYNW-QNWJLWSRSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CCN1 ZINC000423388097 387272873 /nfs/dbraw/zinc/27/28/73/387272873.db2.gz SYHSYSLOHDTQTQ-ZRJCITRHSA-N 1 3 222.376 2.295 20 0 BEADHO CC[NH2+]CCCN[C@H](C)Cc1ccc(F)cc1 ZINC000643498855 387277585 /nfs/dbraw/zinc/27/75/85/387277585.db2.gz MEZHVPBGGDQJMH-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423392729 387278939 /nfs/dbraw/zinc/27/89/39/387278939.db2.gz LXEXYUVDIAMNCO-SAXRGWBVSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000423435077 387286335 /nfs/dbraw/zinc/28/63/35/387286335.db2.gz OPNVMVARBNFQEG-RQJABVFESA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423440292 387289613 /nfs/dbraw/zinc/28/96/13/387289613.db2.gz IKHGBIBZKSTULI-RVBZMBCESA-N 1 3 222.307 2.138 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C1(CC)CC ZINC000423439760 387289929 /nfs/dbraw/zinc/28/99/29/387289929.db2.gz IBNYYBBHXIOYHV-ZDEQEGDKSA-N 1 3 242.407 2.296 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H](C)N ZINC000423444326 387294875 /nfs/dbraw/zinc/29/48/75/387294875.db2.gz LQJNOSZLFLLFDU-BREBYQMCSA-N 1 3 234.343 2.008 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423449293 387297558 /nfs/dbraw/zinc/29/75/58/387297558.db2.gz GCRUOLWBVSFMQV-HUXGKSLCSA-N 1 3 222.376 2.009 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H](C)N ZINC000423450355 387299641 /nfs/dbraw/zinc/29/96/41/387299641.db2.gz SRQSWFRVOPYZCF-AEJSXWLSSA-N 1 3 212.362 2.443 20 0 BEADHO CCCC[C@@H](C)[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423454385 387301703 /nfs/dbraw/zinc/30/17/03/387301703.db2.gz LOAZXTDEYORYOM-FHUSYTEZSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423455211 387302690 /nfs/dbraw/zinc/30/26/90/387302690.db2.gz BZYPJYJNCHXJMG-ZWNOBZJWSA-N 1 3 234.343 2.009 20 0 BEADHO Cc1nc(CNC2CCC(C[NH3+])CC2)cs1 ZINC000643452664 387302931 /nfs/dbraw/zinc/30/29/31/387302931.db2.gz ZXGAKPMGAFUMED-UHFFFAOYSA-N 1 3 239.388 2.059 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423456588 387303452 /nfs/dbraw/zinc/30/34/52/387303452.db2.gz DRRWBJXDYPQJHY-BXKDBHETSA-N 1 3 210.296 2.214 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000423456106 387303999 /nfs/dbraw/zinc/30/39/99/387303999.db2.gz DEYMDEIHPOPXHA-TVQRCGJNSA-N 1 3 222.307 2.140 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1sccc1C ZINC000423456869 387304298 /nfs/dbraw/zinc/30/42/98/387304298.db2.gz DVHRYAXNBAMWHE-UWVGGRQHSA-N 1 3 212.362 2.444 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)C1CCCCC1 ZINC000423458311 387305683 /nfs/dbraw/zinc/30/56/83/387305683.db2.gz PZFMGDBCVDOQDK-YXRJLALLSA-N 1 3 236.403 2.399 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423461021 387307928 /nfs/dbraw/zinc/30/79/28/387307928.db2.gz JFVSBUYPYVSPLS-TZMCWYRMSA-N 1 3 218.344 2.309 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000423461479 387308825 /nfs/dbraw/zinc/30/88/25/387308825.db2.gz JROGTFGCBCJKNT-KWCYVHTRSA-N 1 3 236.359 2.090 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423461020 387309166 /nfs/dbraw/zinc/30/91/66/387309166.db2.gz JFVSBUYPYVSPLS-OCCSQVGLSA-N 1 3 218.344 2.309 20 0 BEADHO CC(C)[C@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423460590 387309284 /nfs/dbraw/zinc/30/92/84/387309284.db2.gz SVYNLYWINRDJGE-DGTMBMJNSA-N 1 3 222.376 2.009 20 0 BEADHO C(N[C@@H]1CC[C@H]1C1CCC1)[C@H]1CCCC[NH2+]1 ZINC000643502742 387362713 /nfs/dbraw/zinc/36/27/13/387362713.db2.gz OYQTZUBJNWCWQZ-HZSPNIEDSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2ccccc21 ZINC000423481474 387364045 /nfs/dbraw/zinc/36/40/45/387364045.db2.gz WTESXJWQWRYWOF-AAEUAGOBSA-N 1 3 204.317 2.001 20 0 BEADHO CC[C@@H]1C[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)CCO1 ZINC000423545640 387371145 /nfs/dbraw/zinc/37/11/45/387371145.db2.gz JTDVKFWQQZYODZ-IGQOVBAYSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453599 387371448 /nfs/dbraw/zinc/37/14/48/387371448.db2.gz KLFCZWAZRPEQKU-IVMMDQJWSA-N 1 3 244.382 2.304 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372804137 387328889 /nfs/dbraw/zinc/32/88/89/387328889.db2.gz FCLMTGTURVWWRY-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000372804137 387328899 /nfs/dbraw/zinc/32/88/99/387328899.db2.gz FCLMTGTURVWWRY-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)CCCN1CC[C@H](C2CC2)C1 ZINC000372804137 387328901 /nfs/dbraw/zinc/32/89/01/387328901.db2.gz FCLMTGTURVWWRY-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1C[C@H]1C ZINC000321951513 387329713 /nfs/dbraw/zinc/32/97/13/387329713.db2.gz WXPPKSGZQDMQBF-XBFCOCLRSA-N 1 3 222.376 2.273 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000423484565 387331443 /nfs/dbraw/zinc/33/14/43/387331443.db2.gz YPCSRQUIAQIQGV-IUODEOHRSA-N 1 3 248.370 2.400 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000423485980 387332463 /nfs/dbraw/zinc/33/24/63/387332463.db2.gz ZHVRTQDBTBORJI-QWHCGFSZSA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1cncs1 ZINC000423489039 387333476 /nfs/dbraw/zinc/33/34/76/387333476.db2.gz VTBGBZGUUKUFDM-QWRGUYRKSA-N 1 3 239.388 2.326 20 0 BEADHO C[C@@H](CCC(C)(C)C)NC[C@H]1C[NH2+]CCCO1 ZINC000423491932 387335781 /nfs/dbraw/zinc/33/57/81/387335781.db2.gz KUHSENJKEFPVQY-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H](CCC(C)(C)C)NC[C@@H]1C[NH2+]CCCO1 ZINC000423491933 387335918 /nfs/dbraw/zinc/33/59/18/387335918.db2.gz KUHSENJKEFPVQY-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO Cc1nc([C@H](C)N[C@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000423493559 387338378 /nfs/dbraw/zinc/33/83/78/387338378.db2.gz BVWYNUIDJNSPIN-LSJOCFKGSA-N 1 3 239.388 2.230 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C[Si](C)(C)C)CC1 ZINC000372988116 387339418 /nfs/dbraw/zinc/33/94/18/387339418.db2.gz BMFQYQCSAGHPSD-GFCCVEGCSA-N 1 3 228.456 2.280 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C[Si](C)(C)C)CC1 ZINC000372988116 387339422 /nfs/dbraw/zinc/33/94/22/387339422.db2.gz BMFQYQCSAGHPSD-GFCCVEGCSA-N 1 3 228.456 2.280 20 0 BEADHO C[C@H](NC[C@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400678496 387410391 /nfs/dbraw/zinc/41/03/91/387410391.db2.gz WGIWZWNGRBSHMD-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CCCN1 ZINC000400678496 387410395 /nfs/dbraw/zinc/41/03/95/387410395.db2.gz WGIWZWNGRBSHMD-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643468284 387418320 /nfs/dbraw/zinc/41/83/20/387418320.db2.gz IBILQXKYVZLGMM-GVXVVHGQSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)C[C@H](NCCC[NH+]2CCCCC2)CO1 ZINC000396815087 387498409 /nfs/dbraw/zinc/49/84/09/387498409.db2.gz SFXYRJJWXDOMIL-ZDUSSCGKSA-N 1 3 240.391 2.020 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304644167 387499119 /nfs/dbraw/zinc/49/91/19/387499119.db2.gz XHFIRKZAOWCESN-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CN(CCCCCF)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000304406530 387475302 /nfs/dbraw/zinc/47/53/02/387475302.db2.gz OZWASJHMFZZUPT-FUNVUKJBSA-N 1 3 228.355 2.341 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCCN[C@H]2C)cc1 ZINC000396701566 387486294 /nfs/dbraw/zinc/48/62/94/387486294.db2.gz NFJZOLFJNSGMNI-SWLSCSKDSA-N 1 3 232.371 2.479 20 0 BEADHO FC(F)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355148936 387486603 /nfs/dbraw/zinc/48/66/03/387486603.db2.gz JMOWRYRDJZXRSA-MNOVXSKESA-N 1 3 244.329 2.248 20 0 BEADHO FC(F)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355148936 387486609 /nfs/dbraw/zinc/48/66/09/387486609.db2.gz JMOWRYRDJZXRSA-MNOVXSKESA-N 1 3 244.329 2.248 20 0 BEADHO CC(C)NCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000643508382 387487845 /nfs/dbraw/zinc/48/78/45/387487845.db2.gz XSCPYVWNIALDMN-CYBMUJFWSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000337043372 387586576 /nfs/dbraw/zinc/58/65/76/387586576.db2.gz CVEFKETZJLARFP-CABCVRRESA-N 1 3 232.371 2.461 20 0 BEADHO CCCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000337043372 387586578 /nfs/dbraw/zinc/58/65/78/387586578.db2.gz CVEFKETZJLARFP-CABCVRRESA-N 1 3 232.371 2.461 20 0 BEADHO CC(C)([NH3+])CN[C@H]1CCCc2ccccc2C1 ZINC000643513394 387597416 /nfs/dbraw/zinc/59/74/16/387597416.db2.gz NRFHVYPYXNMSOK-AWEZNQCLSA-N 1 3 232.371 2.261 20 0 BEADHO C[C@H](CC[NH3+])NCc1cccc(C2CC2)c1 ZINC000422552351 387598336 /nfs/dbraw/zinc/59/83/36/387598336.db2.gz GXBBAXOKJPFHAJ-LLVKDONJSA-N 1 3 218.344 2.391 20 0 BEADHO CCC(CC)CN1CCC2(CC[NH2+]2)CC1 ZINC000422562194 387602477 /nfs/dbraw/zinc/60/24/77/387602477.db2.gz PIBKAFYMHGLTOW-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H](COC)NC1CC([NH+]2CCCCC2)C1 ZINC000376023747 387602787 /nfs/dbraw/zinc/60/27/87/387602787.db2.gz ZQSXNVUWHQPCHI-HSBZDZAISA-N 1 3 240.391 2.018 20 0 BEADHO CCC(CC)[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422700752 387614983 /nfs/dbraw/zinc/61/49/83/387614983.db2.gz ANCRXIVQAYBNEK-HZSPNIEDSA-N 1 3 242.407 2.033 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000422701918 387618303 /nfs/dbraw/zinc/61/83/03/387618303.db2.gz JKRUDGOAADDBFC-SCVCMEIPSA-N 1 3 233.359 2.155 20 0 BEADHO Cc1ccc(C(C)(C)CN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422702880 387619215 /nfs/dbraw/zinc/61/92/15/387619215.db2.gz GGBWOCIQPDGQKZ-ZDUSSCGKSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422702880 387619219 /nfs/dbraw/zinc/61/92/19/387619219.db2.gz GGBWOCIQPDGQKZ-ZDUSSCGKSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)ccn1 ZINC000527533539 387624414 /nfs/dbraw/zinc/62/44/14/387624414.db2.gz KDETVZIJZRRKNH-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](Cc1cccs1)NC[C@H]([NH3+])C1CC1 ZINC000643516561 387627987 /nfs/dbraw/zinc/62/79/87/387627987.db2.gz SBOJZXAVVLYRSO-SKDRFNHKSA-N 1 3 224.373 2.006 20 0 BEADHO CC(C)CCOCCN[C@@](C)(C[NH3+])C(C)C ZINC000430592766 387630087 /nfs/dbraw/zinc/63/00/87/387630087.db2.gz CWLKZEQRJIKLIU-ZDUSSCGKSA-N 1 3 230.396 2.012 20 0 BEADHO [NH3+][C@H](CN[C@@H]1CCCc2ccccc2C1)C1CC1 ZINC000643516688 387631712 /nfs/dbraw/zinc/63/17/12/387631712.db2.gz JWHRNYZQAIAEFY-HZPDHXFCSA-N 1 3 244.382 2.261 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422722240 387634225 /nfs/dbraw/zinc/63/42/25/387634225.db2.gz XHLVEIOHEXDYKY-YRGRVCCFSA-N 1 3 224.392 2.399 20 0 BEADHO COc1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422729054 387637656 /nfs/dbraw/zinc/63/76/56/387637656.db2.gz HINJPWAQFDCZGK-IUODEOHRSA-N 1 3 248.370 2.173 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000422730875 387637743 /nfs/dbraw/zinc/63/77/43/387637743.db2.gz MPHPTBIKIKUNBP-OLZOCXBDSA-N 1 3 232.371 2.205 20 0 BEADHO c1ccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422730025 387638795 /nfs/dbraw/zinc/63/87/95/387638795.db2.gz JCASTJYGMBDIFY-XYPWUTKMSA-N 1 3 244.382 2.492 20 0 BEADHO CCCCOCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422729954 387639004 /nfs/dbraw/zinc/63/90/04/387639004.db2.gz LQJZSTSWDZOCRX-UONOGXRCSA-N 1 3 242.407 2.171 20 0 BEADHO CO[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422738668 387646464 /nfs/dbraw/zinc/64/64/64/387646464.db2.gz JSLIVWWHKWPRQL-QLFBSQMISA-N 1 3 248.370 2.091 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](c1ccccc1)N(C)C ZINC000422750976 387655341 /nfs/dbraw/zinc/65/53/41/387655341.db2.gz FCFPTKOTCWOYCF-GUTXKFCHSA-N 1 3 249.402 2.005 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422752293 387655926 /nfs/dbraw/zinc/65/59/26/387655926.db2.gz DPHCQRGDOJKMDR-BNOWGMLFSA-N 1 3 218.344 2.260 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000422754789 387659225 /nfs/dbraw/zinc/65/92/25/387659225.db2.gz GENZUGMIJVDXRP-NOOOWODRSA-N 1 3 230.421 2.376 20 0 BEADHO CCOC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000125627248 387660187 /nfs/dbraw/zinc/66/01/87/387660187.db2.gz ACSRTCXIIKNBKM-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000125627248 387660194 /nfs/dbraw/zinc/66/01/94/387660194.db2.gz ACSRTCXIIKNBKM-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CSCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422758138 387660514 /nfs/dbraw/zinc/66/05/14/387660514.db2.gz NNQYTFCWTWQVHJ-NWDGAFQWSA-N 1 3 230.421 2.107 20 0 BEADHO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CNC1 ZINC000422756971 387660569 /nfs/dbraw/zinc/66/05/69/387660569.db2.gz CTASOMUVLPXCHF-GMTAPVOTSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccccc1 ZINC000422761187 387663284 /nfs/dbraw/zinc/66/32/84/387663284.db2.gz QWEODVWJDSIJAE-DZGCQCFKSA-N 1 3 248.370 2.043 20 0 BEADHO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422773347 387669584 /nfs/dbraw/zinc/66/95/84/387669584.db2.gz YKPQAGRMKXDCFB-STQMWFEESA-N 1 3 232.371 2.296 20 0 BEADHO Cc1ccc([C@@H](C)CN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422773347 387669590 /nfs/dbraw/zinc/66/95/90/387669590.db2.gz YKPQAGRMKXDCFB-STQMWFEESA-N 1 3 232.371 2.296 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422772796 387670632 /nfs/dbraw/zinc/67/06/32/387670632.db2.gz ZOGVWVMIDFPBAH-IJLUTSLNSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422772797 387671535 /nfs/dbraw/zinc/67/15/35/387671535.db2.gz ZOGVWVMIDFPBAH-UTUOFQBUSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)C2CNC2)c1 ZINC000422781034 387681516 /nfs/dbraw/zinc/68/15/16/387681516.db2.gz JZXBAHFTAQORDS-STQMWFEESA-N 1 3 232.371 2.296 20 0 BEADHO Cc1cccc([C@@H](C)CN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422781034 387681525 /nfs/dbraw/zinc/68/15/25/387681525.db2.gz JZXBAHFTAQORDS-STQMWFEESA-N 1 3 232.371 2.296 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)Cc1cccs1 ZINC000422787680 387687863 /nfs/dbraw/zinc/68/78/63/387687863.db2.gz UWXVEIIILVOPBN-QWRGUYRKSA-N 1 3 238.400 2.124 20 0 BEADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)Cc1cccs1 ZINC000422787680 387687866 /nfs/dbraw/zinc/68/78/66/387687866.db2.gz UWXVEIIILVOPBN-QWRGUYRKSA-N 1 3 238.400 2.124 20 0 BEADHO COc1ccc(CCCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422744178 387690093 /nfs/dbraw/zinc/69/00/93/387690093.db2.gz VQBMRVHXQNUSKX-GJZGRUSLSA-N 1 3 248.370 2.097 20 0 BEADHO Cc1ccc([C@@H](C)NCC2=CC[NH2+]CC2)c(C)n1 ZINC000643520311 387691327 /nfs/dbraw/zinc/69/13/27/387691327.db2.gz KFRAYVRCDBQENX-GFCCVEGCSA-N 1 3 245.370 2.269 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc(C)cc1 ZINC000643526253 387748543 /nfs/dbraw/zinc/74/85/43/387748543.db2.gz WLSUMWMMBZDOSE-DGCLKSJQSA-N 1 3 206.333 2.383 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643526156 387749297 /nfs/dbraw/zinc/74/92/97/387749297.db2.gz RAABQHOYDVTECX-MNOVXSKESA-N 1 3 222.332 2.083 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)N)c1cccc(OC(F)F)c1 ZINC000643526299 387749622 /nfs/dbraw/zinc/74/96/22/387749622.db2.gz XXTTWOFHZXPKDK-DTWKUNHWSA-N 1 3 244.285 2.286 20 0 BEADHO Cc1cc([C@@H](C)[NH2+]C[C@H](C)N)c(C)s1 ZINC000643526333 387750133 /nfs/dbraw/zinc/75/01/33/387750133.db2.gz ZVVHNWZJWZURQO-IONNQARKSA-N 1 3 212.362 2.363 20 0 BEADHO C[NH+]1CCC(N[C@H]2CCc3cc(F)ccc32)CC1 ZINC000128575800 387750523 /nfs/dbraw/zinc/75/05/23/387750523.db2.gz BFUFXEOXHDCMMA-HNNXBMFYSA-N 1 3 248.345 2.497 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CC12CC2 ZINC000527845023 387753328 /nfs/dbraw/zinc/75/33/28/387753328.db2.gz HPXHMLYYKOYRAV-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccsc1 ZINC000422802480 387703671 /nfs/dbraw/zinc/70/36/71/387703671.db2.gz DGMNSKFLPDEROK-YPMHNXCESA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000422802480 387703674 /nfs/dbraw/zinc/70/36/74/387703674.db2.gz DGMNSKFLPDEROK-YPMHNXCESA-N 1 3 238.400 2.268 20 0 BEADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)C(C)(C)C ZINC000422808614 387707820 /nfs/dbraw/zinc/70/78/20/387707820.db2.gz LGJMLRIAUNQJPB-JHJVBQTASA-N 1 3 242.407 2.025 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)C(C)(C)C ZINC000422808614 387707825 /nfs/dbraw/zinc/70/78/25/387707825.db2.gz LGJMLRIAUNQJPB-JHJVBQTASA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H](NC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000238434026 387708894 /nfs/dbraw/zinc/70/88/94/387708894.db2.gz SDFAWIMHEMUDAO-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO CC(C)CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422812913 387710614 /nfs/dbraw/zinc/71/06/14/387710614.db2.gz YIOYZIYDPVJBBU-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C1CNC1 ZINC000422819918 387718178 /nfs/dbraw/zinc/71/81/78/387718178.db2.gz OJULRAXHLHMGNQ-NQBHXWOUSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@H]2CC[C@@H](C)O2)CC1 ZINC000127735190 387726026 /nfs/dbraw/zinc/72/60/26/387726026.db2.gz XEYDMXWZGFMNJA-TZMCWYRMSA-N 1 3 240.391 2.016 20 0 BEADHO CCOCc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422831969 387726486 /nfs/dbraw/zinc/72/64/86/387726486.db2.gz KMIMRVWONRHEPA-GJZGRUSLSA-N 1 3 248.370 2.193 20 0 BEADHO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422878756 387756012 /nfs/dbraw/zinc/75/60/12/387756012.db2.gz KOBJREQDIAOQJS-KBPBESRZSA-N 1 3 234.343 2.055 20 0 BEADHO CC[C@@H]1CCC[C@H]1N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422877794 387756110 /nfs/dbraw/zinc/75/61/10/387756110.db2.gz RSAIEVRAIFJBHI-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)[C@H]1CCCN1 ZINC000422877794 387756113 /nfs/dbraw/zinc/75/61/13/387756113.db2.gz RSAIEVRAIFJBHI-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])N(C)c1ccccc1 ZINC000422856203 387742061 /nfs/dbraw/zinc/74/20/61/387742061.db2.gz FTEYQYVKLZPGSS-MELADBBJSA-N 1 3 249.402 2.227 20 0 BEADHO Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@H](C)[NH3+])C1 ZINC000643527099 387763142 /nfs/dbraw/zinc/76/31/42/387763142.db2.gz JWWLTLMQPKXCKG-BFHYXJOUSA-N 1 3 247.386 2.353 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCOc2ccccc21 ZINC000422889570 387764114 /nfs/dbraw/zinc/76/41/14/387764114.db2.gz PWJVVRKHZBJQGA-BNOWGMLFSA-N 1 3 246.354 2.022 20 0 BEADHO Cc1ccccc1C1(CN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422899013 387766010 /nfs/dbraw/zinc/76/60/10/387766010.db2.gz GOBRJKCYXFGDAY-HUUCEWRRSA-N 1 3 244.382 2.496 20 0 BEADHO Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422896091 387766267 /nfs/dbraw/zinc/76/62/67/387766267.db2.gz XJNLBLWWXBGMJV-BDAKNGLRSA-N 1 3 212.362 2.272 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC12CC2 ZINC000527877281 387767197 /nfs/dbraw/zinc/76/71/97/387767197.db2.gz UAZNILIGSXCKSY-WCQYABFASA-N 1 3 220.360 2.027 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000643528344 387768084 /nfs/dbraw/zinc/76/80/84/387768084.db2.gz HIIKFTHUNBIMKR-PRHODGIISA-N 1 3 224.735 2.264 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1cccc(F)c1 ZINC000422912258 387770653 /nfs/dbraw/zinc/77/06/53/387770653.db2.gz VRIFESDIXJTHIQ-KGLIPLIRSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)C1CNC1 ZINC000422914465 387771878 /nfs/dbraw/zinc/77/18/78/387771878.db2.gz UHVSOIBVGFFPLC-WBMJQRKESA-N 1 3 244.382 2.205 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1cccc(F)c1 ZINC000422912257 387771910 /nfs/dbraw/zinc/77/19/10/387771910.db2.gz VRIFESDIXJTHIQ-KBPBESRZSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc(F)c1F ZINC000422961017 387812166 /nfs/dbraw/zinc/81/21/66/387812166.db2.gz YDRJDAAVLFPSGC-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc(F)c1F ZINC000422961017 387812169 /nfs/dbraw/zinc/81/21/69/387812169.db2.gz YDRJDAAVLFPSGC-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000643528080 387774000 /nfs/dbraw/zinc/77/40/00/387774000.db2.gz YUTQGBSBATUAOL-RFHZTLPTSA-N 1 3 218.344 2.115 20 0 BEADHO CC(C)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422917688 387774197 /nfs/dbraw/zinc/77/41/97/387774197.db2.gz FNLIQXFKDUQFNC-FUNVUKJBSA-N 1 3 222.376 2.295 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000422919583 387775625 /nfs/dbraw/zinc/77/56/25/387775625.db2.gz KCFFSQCVIZGKFF-BDAKNGLRSA-N 1 3 224.270 2.188 20 0 BEADHO COc1ccc([C@H](C)[C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643529434 387777098 /nfs/dbraw/zinc/77/70/98/387777098.db2.gz ZRUFPEVGTFDJDB-UTUOFQBUSA-N 1 3 236.359 2.124 20 0 BEADHO Cc1cccc(OCCN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422927843 387779832 /nfs/dbraw/zinc/77/98/32/387779832.db2.gz HIFDBGHWULVIKX-QWHCGFSZSA-N 1 3 236.359 2.089 20 0 BEADHO COc1ccc(CN[C@@H](C)CCC[NH3+])c(F)c1 ZINC000422927949 387779887 /nfs/dbraw/zinc/77/98/87/387779887.db2.gz HXULMDIBQWZVHF-JTQLQIEISA-N 1 3 240.322 2.051 20 0 BEADHO C[C@@H]([NH2+]CC1(C)CCCCC1)C1CNC1 ZINC000422930618 387780982 /nfs/dbraw/zinc/78/09/82/387780982.db2.gz VGCNEWSUAPVVBG-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO CCC(CC)(CC)C[NH2+][C@@H](C)C1CNC1 ZINC000422931886 387781679 /nfs/dbraw/zinc/78/16/79/387781679.db2.gz YICZGDMTSZJAGW-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cccc(C)c1CCN[C@H](C)C1C[NH2+]C1 ZINC000422934953 387782571 /nfs/dbraw/zinc/78/25/71/387782571.db2.gz GVNURYSEVMCWRE-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1cccc(C)c1CC[NH2+][C@H](C)C1CNC1 ZINC000422934953 387782574 /nfs/dbraw/zinc/78/25/74/387782574.db2.gz GVNURYSEVMCWRE-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO CCC1(CC)[C@H](N[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1OC ZINC000422937734 387783060 /nfs/dbraw/zinc/78/30/60/387783060.db2.gz KCKWSUJGTPKFFN-LPWJVIDDSA-N 1 3 240.391 2.050 20 0 BEADHO COC[C@H](CCC[NH3+])NC1(c2ccccc2)CC1 ZINC000422944152 387786262 /nfs/dbraw/zinc/78/62/62/387786262.db2.gz ZGXHPISOWZFHHY-AWEZNQCLSA-N 1 3 248.370 2.019 20 0 BEADHO CCOc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422901485 387787700 /nfs/dbraw/zinc/78/77/00/387787700.db2.gz LAPXVQVHBZCESG-RYUDHWBXSA-N 1 3 236.359 2.301 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H]1CN ZINC000422979583 387791488 /nfs/dbraw/zinc/79/14/88/387791488.db2.gz NCZCGHVRXHWHTB-ZLDLUXBVSA-N 1 3 248.370 2.040 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)Oc1ccccc1 ZINC000422980910 387791711 /nfs/dbraw/zinc/79/17/11/387791711.db2.gz MRKACFCMAKKCQA-YNEHKIRRSA-N 1 3 236.359 2.169 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000422979581 387791848 /nfs/dbraw/zinc/79/18/48/387791848.db2.gz NCZCGHVRXHWHTB-OSAQELSMSA-N 1 3 248.370 2.040 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000422983629 387793438 /nfs/dbraw/zinc/79/34/38/387793438.db2.gz UJJXSTRZRLZHOU-JKSUJKDBSA-N 1 3 244.382 2.118 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCCC(F)(F)C1 ZINC000422986615 387795143 /nfs/dbraw/zinc/79/51/43/387795143.db2.gz CWTQPLXCCOXENH-BBBLOLIVSA-N 1 3 218.291 2.034 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000422986726 387795615 /nfs/dbraw/zinc/79/56/15/387795615.db2.gz HFMFHXXJCVJXHV-UTUOFQBUSA-N 1 3 206.333 2.463 20 0 BEADHO C[C@@H](N[C@@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000422990516 387801114 /nfs/dbraw/zinc/80/11/14/387801114.db2.gz NQUMITAELWXBJG-JHJVBQTASA-N 1 3 208.349 2.215 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)CCc1ccco1 ZINC000422965067 387813329 /nfs/dbraw/zinc/81/33/29/387813329.db2.gz NMGZTJKERPNXLN-SDDRHHMPSA-N 1 3 224.348 2.316 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)CCc1ccco1 ZINC000422965067 387813333 /nfs/dbraw/zinc/81/33/33/387813333.db2.gz NMGZTJKERPNXLN-SDDRHHMPSA-N 1 3 224.348 2.316 20 0 BEADHO Cc1cccc(C)c1OCC[NH2+][C@H]1CCC[C@H]1N ZINC000422948669 387807505 /nfs/dbraw/zinc/80/75/05/387807505.db2.gz RVFCMYDZOWRZOH-KGLIPLIRSA-N 1 3 248.370 2.152 20 0 BEADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C12CCCCC2 ZINC000643526534 387758486 /nfs/dbraw/zinc/75/84/86/387758486.db2.gz AQGMDYUMSHNMTL-JHJVBQTASA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@@H](Cc1cccs1)NC[C@H](C)[NH3+] ZINC000643526860 387759417 /nfs/dbraw/zinc/75/94/17/387759417.db2.gz AUTONPBYJQLUJJ-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO CC[C@H](Cc1cccs1)NC[C@H](C)[NH3+] ZINC000643526861 387760485 /nfs/dbraw/zinc/76/04/85/387760485.db2.gz AUTONPBYJQLUJJ-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](NC[C@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422972946 387821116 /nfs/dbraw/zinc/82/11/16/387821116.db2.gz NDNOJVJOBZDDPZ-RDBSUJKOSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H]([NH2+]CCc1ccccc1O)[C@@H]1CCCCN1 ZINC000422973465 387821541 /nfs/dbraw/zinc/82/15/41/387821541.db2.gz OTRMWNJIPGDDJK-JSGCOSHPSA-N 1 3 248.370 2.055 20 0 BEADHO C[C@@H]([NH2+]CCc1ccccc1O)[C@H]1CCCCN1 ZINC000422973467 387822038 /nfs/dbraw/zinc/82/20/38/387822038.db2.gz OTRMWNJIPGDDJK-TZMCWYRMSA-N 1 3 248.370 2.055 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000423004107 387826280 /nfs/dbraw/zinc/82/62/80/387826280.db2.gz JEHYATRNTVCSMV-OLZOCXBDSA-N 1 3 242.407 2.035 20 0 BEADHO COCC(C)(C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432815290 387827881 /nfs/dbraw/zinc/82/78/81/387827881.db2.gz FGQPPZDKXWEQDH-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO COCC(C)(C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432815290 387827882 /nfs/dbraw/zinc/82/78/82/387827882.db2.gz FGQPPZDKXWEQDH-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO COCC(C)(C)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000432815290 387827885 /nfs/dbraw/zinc/82/78/85/387827885.db2.gz FGQPPZDKXWEQDH-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000442763711 387834112 /nfs/dbraw/zinc/83/41/12/387834112.db2.gz JBIZKZFUJNSJKW-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000442763711 387834118 /nfs/dbraw/zinc/83/41/18/387834118.db2.gz JBIZKZFUJNSJKW-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CCN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442763711 387834120 /nfs/dbraw/zinc/83/41/20/387834120.db2.gz JBIZKZFUJNSJKW-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO CC(C)CSCCCN[C@H]1CCC[C@H]1[NH3+] ZINC000423013900 387835307 /nfs/dbraw/zinc/83/53/07/387835307.db2.gz NTKMIJJOXLLKKG-NEPJUHHUSA-N 1 3 230.421 2.235 20 0 BEADHO CS[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000423027836 387842671 /nfs/dbraw/zinc/84/26/71/387842671.db2.gz FDHIDYMNKJBXRC-QJPTWQEYSA-N 1 3 244.448 2.352 20 0 BEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC1(C)C ZINC000423028414 387843660 /nfs/dbraw/zinc/84/36/60/387843660.db2.gz QNULUENBKBLQMY-FPMFFAJLSA-N 1 3 232.371 2.333 20 0 BEADHO CS[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000423027835 387844644 /nfs/dbraw/zinc/84/46/44/387844644.db2.gz FDHIDYMNKJBXRC-IJLUTSLNSA-N 1 3 244.448 2.352 20 0 BEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC1(C)C ZINC000423028416 387847313 /nfs/dbraw/zinc/84/73/13/387847313.db2.gz QNULUENBKBLQMY-UBHSHLNASA-N 1 3 232.371 2.333 20 0 BEADHO CS[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C ZINC000423031922 387848873 /nfs/dbraw/zinc/84/88/73/387848873.db2.gz LQTSCSQGIJZZAO-HBNTYKKESA-N 1 3 230.421 2.234 20 0 BEADHO Cc1ccc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)o1 ZINC000643533745 387849215 /nfs/dbraw/zinc/84/92/15/387849215.db2.gz CPKZAQMNLLKCKO-YPMHNXCESA-N 1 3 234.343 2.381 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)CN1CCCC1 ZINC000062078304 387849521 /nfs/dbraw/zinc/84/95/21/387849521.db2.gz QKXHHRZJTHTSHS-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO COC1CCC(CC[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423036689 387850440 /nfs/dbraw/zinc/85/04/40/387850440.db2.gz LHKVAFMZXAKUFM-FEPKRQSRSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@@H](NCC(C)(C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423037871 387850878 /nfs/dbraw/zinc/85/08/78/387850878.db2.gz NIQMEBUDOHJYRF-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@@H]([NH2+]CC(C)(C)CCOC)[C@@H]1CCCN1 ZINC000423037871 387850881 /nfs/dbraw/zinc/85/08/81/387850881.db2.gz NIQMEBUDOHJYRF-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO COC1CCC(CC[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000423036691 387851123 /nfs/dbraw/zinc/85/11/23/387851123.db2.gz LHKVAFMZXAKUFM-IWMBGFJWSA-N 1 3 242.407 2.297 20 0 BEADHO CS[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C(C)(C)C ZINC000423038981 387852722 /nfs/dbraw/zinc/85/27/22/387852722.db2.gz ZKLSFPRWHKQNJU-SDDRHHMPSA-N 1 3 244.448 2.481 20 0 BEADHO CC[C@H](CC(F)(F)F)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423041249 387854866 /nfs/dbraw/zinc/85/48/66/387854866.db2.gz WQYKMTHLFRJYJD-XHNCKOQMSA-N 1 3 226.286 2.433 20 0 BEADHO C[C@@H]([NH2+]CCC1=CCCCCC1)C1CNC1 ZINC000423048376 387857853 /nfs/dbraw/zinc/85/78/53/387857853.db2.gz IROQQMVDCJIBCU-GFCCVEGCSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000423052975 387859722 /nfs/dbraw/zinc/85/97/22/387859722.db2.gz RQFZUBHUBXPZGM-FXQIFTODSA-N 1 3 212.259 2.043 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCNC1)c1ccncc1 ZINC000643460325 387874440 /nfs/dbraw/zinc/87/44/40/387874440.db2.gz QETXPBFUVAMGQW-IPYPFGDCSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000643460325 387874443 /nfs/dbraw/zinc/87/44/43/387874443.db2.gz QETXPBFUVAMGQW-IPYPFGDCSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])C(F)(F)F ZINC000423056964 387863476 /nfs/dbraw/zinc/86/34/76/387863476.db2.gz YMNWYHWVEPYEAV-UTLUCORTSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)C(F)(F)F ZINC000423056964 387863482 /nfs/dbraw/zinc/86/34/82/387863482.db2.gz YMNWYHWVEPYEAV-UTLUCORTSA-N 1 3 238.297 2.292 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@H](OC)C1)[C@@H]1CCCC[NH2+]1 ZINC000423068315 387870478 /nfs/dbraw/zinc/87/04/78/387870478.db2.gz JRDXGOZVASKHRR-RFGFWPKPSA-N 1 3 240.391 2.064 20 0 BEADHO C1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCCC2 ZINC000423071550 387871488 /nfs/dbraw/zinc/87/14/88/387871488.db2.gz FLEFDCVUTWZMNE-HNGCFSAESA-N 1 3 220.360 2.192 20 0 BEADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](C)N ZINC000442656104 387814304 /nfs/dbraw/zinc/81/43/04/387814304.db2.gz DOCQMWPUBFETBO-TZMCWYRMSA-N 1 3 248.370 2.049 20 0 BEADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](C)N ZINC000442656104 387814309 /nfs/dbraw/zinc/81/43/09/387814309.db2.gz DOCQMWPUBFETBO-TZMCWYRMSA-N 1 3 248.370 2.049 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000422968432 387818979 /nfs/dbraw/zinc/81/89/79/387818979.db2.gz QSUULEAQMAIMSV-ZJUUUORDSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423103008 387889747 /nfs/dbraw/zinc/88/97/47/387889747.db2.gz FWRRGSRNMJPVPV-VXGBXAGGSA-N 1 3 228.355 2.246 20 0 BEADHO C[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CNC1 ZINC000423111834 387894995 /nfs/dbraw/zinc/89/49/95/387894995.db2.gz JJJKPOQXBGMIET-VIFPVBQESA-N 1 3 232.318 2.009 20 0 BEADHO CC1(C)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423113485 387896572 /nfs/dbraw/zinc/89/65/72/387896572.db2.gz UISSOWCPIUNGAP-AYLPWXGPSA-N 1 3 208.349 2.048 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CNC1 ZINC000423117800 387898972 /nfs/dbraw/zinc/89/89/72/387898972.db2.gz XHAXUVSYCJXESC-UWVGGRQHSA-N 1 3 232.318 2.009 20 0 BEADHO CC1(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423083674 387879113 /nfs/dbraw/zinc/87/91/13/387879113.db2.gz GFYREANMORHCIA-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO C[C@@H](NCCC1(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423088364 387880615 /nfs/dbraw/zinc/88/06/15/387880615.db2.gz RRWPZKRVDUDGCK-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](NCCC1(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423088361 387881057 /nfs/dbraw/zinc/88/10/57/387881057.db2.gz RRWPZKRVDUDGCK-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000423092551 387882510 /nfs/dbraw/zinc/88/25/10/387882510.db2.gz CIDSBBVCWATRED-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423095822 387884902 /nfs/dbraw/zinc/88/49/02/387884902.db2.gz NBZPZLWTEIQICK-VWYCJHECSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423093659 387885088 /nfs/dbraw/zinc/88/50/88/387885088.db2.gz IIYFSFTZUGKOFW-WOPDTQHZSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423096040 387885337 /nfs/dbraw/zinc/88/53/37/387885337.db2.gz NVADBMZYXOFBKB-GUBZILKMSA-N 1 3 220.307 2.137 20 0 BEADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000423100156 387887966 /nfs/dbraw/zinc/88/79/66/387887966.db2.gz GJVIGPILYRZDQH-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO CCSCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423117732 387899285 /nfs/dbraw/zinc/89/92/85/387899285.db2.gz WXIVKOAAPKANLH-NWDGAFQWSA-N 1 3 230.421 2.107 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000423119829 387900715 /nfs/dbraw/zinc/90/07/15/387900715.db2.gz FNWLSJUQBVKFSN-DKATWDMPSA-N 1 3 224.270 2.043 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423141115 387919200 /nfs/dbraw/zinc/91/92/00/387919200.db2.gz OANSKVKGXCEOGC-JYILRKAJSA-N 1 3 234.343 2.144 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1CC(C(F)(F)F)C1 ZINC000423119832 387901743 /nfs/dbraw/zinc/90/17/43/387901743.db2.gz FNWLSJUQBVKFSN-MZUZGICHSA-N 1 3 224.270 2.043 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1c(F)cc(F)cc1F ZINC000423126118 387904442 /nfs/dbraw/zinc/90/44/42/387904442.db2.gz ARTBWTDHUULSQW-QMMMGPOBSA-N 1 3 246.276 2.321 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C1CNC1 ZINC000423126764 387904585 /nfs/dbraw/zinc/90/45/85/387904585.db2.gz IYLHNRUWXVOKLH-JTQLQIEISA-N 1 3 212.381 2.256 20 0 BEADHO C/C(Cl)=C\CN1CCC(C[NH+](C)C)CC1 ZINC000528352249 387906366 /nfs/dbraw/zinc/90/63/66/387906366.db2.gz FOEXMKFVVIVJLT-NYYWCZLTSA-N 1 3 230.783 2.403 20 0 BEADHO C[C@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423128911 387906586 /nfs/dbraw/zinc/90/65/86/387906586.db2.gz LFZXXEUISOZXER-WBIUFABUSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CNC1 ZINC000423128911 387906591 /nfs/dbraw/zinc/90/65/91/387906591.db2.gz LFZXXEUISOZXER-WBIUFABUSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000423133698 387911220 /nfs/dbraw/zinc/91/12/20/387911220.db2.gz VXCVGQCAMYBYND-FRRDWIJNSA-N 1 3 242.432 2.107 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000423136858 387914243 /nfs/dbraw/zinc/91/42/43/387914243.db2.gz ZQEYQKSYSLWRNF-NFTFJBJSSA-N 1 3 236.281 2.044 20 0 BEADHO CCC[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])OC ZINC000423144615 387919660 /nfs/dbraw/zinc/91/96/60/387919660.db2.gz HNAXCDXNLUJMLK-UPJWGTAASA-N 1 3 228.380 2.051 20 0 BEADHO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C2CNC2)CC1 ZINC000423137033 387914912 /nfs/dbraw/zinc/91/49/12/387914912.db2.gz VWNDXEFKXAORQQ-GVXVVHGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]CCC(C)(C)C1CC1)C1CNC1 ZINC000423138806 387916012 /nfs/dbraw/zinc/91/60/12/387916012.db2.gz UFBOLCRSBRTHMB-SNVBAGLBSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](F)CC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423138785 387916117 /nfs/dbraw/zinc/91/61/17/387916117.db2.gz UBXXCPPYMNLVJJ-BIMULSAOSA-N 1 3 222.307 2.469 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@H](C)C[C@@H](C)N ZINC000423151927 387929899 /nfs/dbraw/zinc/92/98/99/387929899.db2.gz KWJHBJWTSQHKAK-CHWSQXEVSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccnc1CCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423151927 387929902 /nfs/dbraw/zinc/92/99/02/387929902.db2.gz KWJHBJWTSQHKAK-CHWSQXEVSA-N 1 3 235.375 2.038 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCCC1(F)F ZINC000423150833 387930005 /nfs/dbraw/zinc/93/00/05/387930005.db2.gz ZHTWFQRVULGLNG-HBNTYKKESA-N 1 3 232.318 2.281 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423151611 387930773 /nfs/dbraw/zinc/93/07/73/387930773.db2.gz KEVQUXBTRQEDEP-ZOBORPQBSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423152700 387931967 /nfs/dbraw/zinc/93/19/67/387931967.db2.gz MAOPHLLJZFBCHV-FVCCEPFGSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423153994 387931976 /nfs/dbraw/zinc/93/19/76/387931976.db2.gz OLSALKBFZOWPDR-XDQVBPFNSA-N 1 3 224.392 2.386 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423153993 387932934 /nfs/dbraw/zinc/93/29/34/387932934.db2.gz OLSALKBFZOWPDR-RFGFWPKPSA-N 1 3 224.392 2.386 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000423156384 387937476 /nfs/dbraw/zinc/93/74/76/387937476.db2.gz SILLMZKOBQILJP-IJLUTSLNSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCC1(F)F ZINC000423156384 387937482 /nfs/dbraw/zinc/93/74/82/387937482.db2.gz SILLMZKOBQILJP-IJLUTSLNSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C1CNC1 ZINC000423157871 387936130 /nfs/dbraw/zinc/93/61/30/387936130.db2.gz BTKCKWBMIWQKOV-NWDGAFQWSA-N 1 3 224.392 2.400 20 0 BEADHO CC1(F)CC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423146252 387923007 /nfs/dbraw/zinc/92/30/07/387923007.db2.gz OWEBHPSCFNDBDV-ANNIKCPVSA-N 1 3 240.366 2.387 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000423147498 387924049 /nfs/dbraw/zinc/92/40/49/387924049.db2.gz SGXCKAVDFKJWLV-MNOVXSKESA-N 1 3 234.334 2.400 20 0 BEADHO CCn1ccnc1[C@H](C)N[C@H](C)CCCC[NH3+] ZINC000423146888 387925155 /nfs/dbraw/zinc/92/51/55/387925155.db2.gz BNJMASAVFPJBFA-NEPJUHHUSA-N 1 3 238.379 2.071 20 0 BEADHO Cc1ccc(F)c(CCN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423147028 387925916 /nfs/dbraw/zinc/92/59/16/387925916.db2.gz BTJNDKRHKWZXJQ-RYUDHWBXSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1ccc(F)c(CC[NH2+][C@@H](C)C[C@H](C)N)c1 ZINC000423147028 387925920 /nfs/dbraw/zinc/92/59/20/387925920.db2.gz BTJNDKRHKWZXJQ-RYUDHWBXSA-N 1 3 238.350 2.392 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccn1 ZINC000423147901 387926262 /nfs/dbraw/zinc/92/62/62/387926262.db2.gz TXOAIOBHDUJTHJ-OLZOCXBDSA-N 1 3 247.386 2.076 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000423147901 387926272 /nfs/dbraw/zinc/92/62/72/387926272.db2.gz TXOAIOBHDUJTHJ-OLZOCXBDSA-N 1 3 247.386 2.076 20 0 BEADHO CC[C@@H]1CCC[C@H]1C[NH2+][C@H](C)C1CNC1 ZINC000423151857 387929020 /nfs/dbraw/zinc/92/90/20/387929020.db2.gz CZZSZLWGRCNWHX-UTUOFQBUSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423169467 387953901 /nfs/dbraw/zinc/95/39/01/387953901.db2.gz VXEJGOWTWGCOCB-WCFLWFBJSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423169467 387953907 /nfs/dbraw/zinc/95/39/07/387953907.db2.gz VXEJGOWTWGCOCB-WCFLWFBJSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423169159 387955549 /nfs/dbraw/zinc/95/55/49/387955549.db2.gz VOKSMTRCNBCBTC-PWSUYJOCSA-N 1 3 246.345 2.400 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423158209 387938807 /nfs/dbraw/zinc/93/88/07/387938807.db2.gz CJZRDORNNJDBLI-YIYPIFLZSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@H]1CC)[C@@H]1CCC[NH2+]1 ZINC000423158625 387939787 /nfs/dbraw/zinc/93/97/87/387939787.db2.gz WWGMUSRKVMJTTH-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1C[C@H]1CC)[C@@H]1CCCN1 ZINC000423158625 387939792 /nfs/dbraw/zinc/93/97/92/387939792.db2.gz WWGMUSRKVMJTTH-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423158210 387939874 /nfs/dbraw/zinc/93/98/74/387939874.db2.gz CJZRDORNNJDBLI-ZOBORPQBSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H]([NH2+][C@@H](C)C1CNC1)C1CCCC1 ZINC000423162463 387942566 /nfs/dbraw/zinc/94/25/66/387942566.db2.gz PILCVAHVKMSHSI-GXFFZTMASA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+][C@H](C)C1CNC1)C1CCCC1 ZINC000423162465 387944050 /nfs/dbraw/zinc/94/40/50/387944050.db2.gz PILCVAHVKMSHSI-ZWNOBZJWSA-N 1 3 210.365 2.153 20 0 BEADHO CCC[C@H]([NH2+][C@@H]1CCNC1)C1CCCC1 ZINC000423171395 387956374 /nfs/dbraw/zinc/95/63/74/387956374.db2.gz OHGQQAZWJNVGDS-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000423170639 387956416 /nfs/dbraw/zinc/95/64/16/387956416.db2.gz MMRKZWAVXDQKCS-HEQLZXTPSA-N 1 3 236.334 2.397 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000423166180 387950118 /nfs/dbraw/zinc/95/01/18/387950118.db2.gz QUMGSJWFUBCCJZ-IUCAKERBSA-N 1 3 220.307 2.137 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423172250 387959484 /nfs/dbraw/zinc/95/94/84/387959484.db2.gz RYSJWVVWKHXWFE-SYCZCVCYSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000423171898 387959746 /nfs/dbraw/zinc/95/97/46/387959746.db2.gz QLJWRPNINDHQGD-QWRGUYRKSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H](CCc1ccc(Cl)s1)NCC[NH3+] ZINC000423175740 387961710 /nfs/dbraw/zinc/96/17/10/387961710.db2.gz BAGJFTQWMFSBOQ-QMMMGPOBSA-N 1 3 232.780 2.271 20 0 BEADHO CCC[C@@H]([NH2+][C@H]1CCNC1)C1CCCC1 ZINC000423171396 387956926 /nfs/dbraw/zinc/95/69/26/387956926.db2.gz OHGQQAZWJNVGDS-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423170244 387957011 /nfs/dbraw/zinc/95/70/11/387957011.db2.gz XODAPFOZHRVMIF-YIYPIFLZSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H](NCC[NH3+])C1(c2ccccc2)CCCC1 ZINC000423195619 387979427 /nfs/dbraw/zinc/97/94/27/387979427.db2.gz ZRJSKRFNFCDFHE-ZDUSSCGKSA-N 1 3 232.371 2.435 20 0 BEADHO C[C@H]1CCc2c(F)cccc2[C@@H]1NCCC[NH3+] ZINC000423195175 387979625 /nfs/dbraw/zinc/97/96/25/387979625.db2.gz SKUWTLKKTSHRIH-IINYFYTJSA-N 1 3 236.334 2.388 20 0 BEADHO CCN1CC[C@H]([N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775499 387981457 /nfs/dbraw/zinc/98/14/57/387981457.db2.gz SOSJBCTXEKGYBI-JSGCOSHPSA-N 1 3 236.359 2.442 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000245775499 387981460 /nfs/dbraw/zinc/98/14/60/387981460.db2.gz SOSJBCTXEKGYBI-JSGCOSHPSA-N 1 3 236.359 2.442 20 0 BEADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC[NH3+] ZINC000423197243 387981649 /nfs/dbraw/zinc/98/16/49/387981649.db2.gz YOPHZYZWASBSCJ-CQSZACIVSA-N 1 3 248.370 2.356 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)c1cccnc1 ZINC000423189908 387973459 /nfs/dbraw/zinc/97/34/59/387973459.db2.gz RMIIAMPXRKVELC-NWDGAFQWSA-N 1 3 235.375 2.075 20 0 BEADHO c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868242 387975859 /nfs/dbraw/zinc/97/58/59/387975859.db2.gz IONPZCPSSSCTFZ-JKSUJKDBSA-N 1 3 244.382 2.446 20 0 BEADHO c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868242 387975861 /nfs/dbraw/zinc/97/58/61/387975861.db2.gz IONPZCPSSSCTFZ-JKSUJKDBSA-N 1 3 244.382 2.446 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423202644 387989352 /nfs/dbraw/zinc/98/93/52/387989352.db2.gz BIDKTDBFGDOCNU-AGIUHOORSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCNC ZINC000423205041 387990714 /nfs/dbraw/zinc/99/07/14/387990714.db2.gz VBYYVRYGRDSEFL-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423206404 387991193 /nfs/dbraw/zinc/99/11/93/387991193.db2.gz WSTMJOBANMTMKE-NEPJUHHUSA-N 1 3 216.344 2.104 20 0 BEADHO CCCC[C@@H](COC)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424366200 387991435 /nfs/dbraw/zinc/99/14/35/387991435.db2.gz IRPHPDLRBOJQAN-YNEHKIRRSA-N 1 3 228.380 2.051 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423206407 387991421 /nfs/dbraw/zinc/99/14/21/387991421.db2.gz WSTMJOBANMTMKE-VXGBXAGGSA-N 1 3 216.344 2.104 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC1)C1C(C)(C)C1(C)C ZINC000423209568 387993533 /nfs/dbraw/zinc/99/35/33/387993533.db2.gz VCHDBIIAKCNQPN-ZJUUUORDSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+]CCCN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423196238 387982046 /nfs/dbraw/zinc/98/20/46/387982046.db2.gz UXTKUBYUAFPHCU-XBFCOCLRSA-N 1 3 218.344 2.117 20 0 BEADHO CNCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000423198600 387984060 /nfs/dbraw/zinc/98/40/60/387984060.db2.gz GSCXDPBRLFHWFH-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CCC1CC([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000423218002 387999058 /nfs/dbraw/zinc/99/90/58/387999058.db2.gz QYJLLYUGHZNOOR-GMKTYKIGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423216378 387999769 /nfs/dbraw/zinc/99/97/69/387999769.db2.gz RUXOWTVGXJXQJI-RQJABVFESA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423216868 387999801 /nfs/dbraw/zinc/99/98/01/387999801.db2.gz PFUIWXFGHZXKSF-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375617 388000083 /nfs/dbraw/zinc/00/00/83/388000083.db2.gz KNWORQUUJAFXGG-UKJIMTQDSA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)C1CC([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423221229 388001843 /nfs/dbraw/zinc/00/18/43/388001843.db2.gz ZKLNMWFNKNYWAD-PNESKVBLSA-N 1 3 210.365 2.010 20 0 BEADHO CN1CC=C(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453185701 388005155 /nfs/dbraw/zinc/00/51/55/388005155.db2.gz XVLUKHFLFNHIFB-OAHLLOKOSA-N 1 3 234.387 2.417 20 0 BEADHO Cc1cccc2c1CC[C@H]2NCC[C@H](C)[NH3+] ZINC000423223415 388005501 /nfs/dbraw/zinc/00/55/01/388005501.db2.gz GJZZWAJRBRAWQS-SMDDNHRTSA-N 1 3 218.344 2.309 20 0 BEADHO Cc1cc([C@H](C)NCC[C@H](C)[NH3+])cs1 ZINC000423224709 388006284 /nfs/dbraw/zinc/00/62/84/388006284.db2.gz JZRKQASIZZVULL-WPRPVWTQSA-N 1 3 212.362 2.444 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(CC2CC2)C1 ZINC000156584834 388006352 /nfs/dbraw/zinc/00/63/52/388006352.db2.gz GKLVAASCEAXVPI-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000156584834 388006356 /nfs/dbraw/zinc/00/63/56/388006356.db2.gz GKLVAASCEAXVPI-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000156584834 388006358 /nfs/dbraw/zinc/00/63/58/388006358.db2.gz GKLVAASCEAXVPI-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCc2cc(F)ccc21 ZINC000423224911 388007861 /nfs/dbraw/zinc/00/78/61/388007861.db2.gz KLKJCKFEVSHXDP-ZANVPECISA-N 1 3 222.307 2.140 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423227601 388010637 /nfs/dbraw/zinc/01/06/37/388010637.db2.gz WIEGCMDNNHYPJE-TUAOUCFPSA-N 1 3 216.344 2.232 20 0 BEADHO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424371633 387996169 /nfs/dbraw/zinc/99/61/69/387996169.db2.gz DUQSDKNXCQDSAH-HUUCEWRRSA-N 1 3 248.370 2.445 20 0 BEADHO Cc1ccsc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000423242644 388025638 /nfs/dbraw/zinc/02/56/38/388025638.db2.gz ZELDGTAMJIAXNH-UWVGGRQHSA-N 1 3 212.362 2.444 20 0 BEADHO CC(=O)Nc1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1 ZINC000423226901 388011311 /nfs/dbraw/zinc/01/13/11/388011311.db2.gz SRWMMBRYXZCAAG-WDEREUQCSA-N 1 3 249.358 2.033 20 0 BEADHO C[C@@H]1C[C@H](NCCC(F)(F)F)CC[N@@H+]1C ZINC000156617044 388011756 /nfs/dbraw/zinc/01/17/56/388011756.db2.gz WIHKDPFESIUBLM-RKDXNWHRSA-N 1 3 224.270 2.011 20 0 BEADHO C[C@@H]1C[C@H](NCCC(F)(F)F)CC[N@H+]1C ZINC000156617044 388011760 /nfs/dbraw/zinc/01/17/60/388011760.db2.gz WIHKDPFESIUBLM-RKDXNWHRSA-N 1 3 224.270 2.011 20 0 BEADHO COc1ccc([C@H](C)NCC[C@H](C)[NH3+])c(C)c1 ZINC000423227448 388011837 /nfs/dbraw/zinc/01/18/37/388011837.db2.gz VVXFNZDJCQMGNV-RYUDHWBXSA-N 1 3 236.359 2.392 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)C[C@H](N)CC(C)C ZINC000253065655 135120471 /nfs/dbraw/zinc/12/04/71/135120471.db2.gz INPGAKYWWZJVDG-VXGBXAGGSA-N 1 3 232.437 2.433 20 0 BEADHO CCCC[C@@H](C)[C@H](C)NCC[NH2+]CC ZINC000423239008 388022454 /nfs/dbraw/zinc/02/24/54/388022454.db2.gz RNFVROBRYKPQRF-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000083056512 388044392 /nfs/dbraw/zinc/04/43/92/388044392.db2.gz GOIMDCYUHFDILZ-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccnc([C@H](C)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000423256605 388037280 /nfs/dbraw/zinc/03/72/80/388037280.db2.gz CEFOUGZWQGGADI-KBPBESRZSA-N 1 3 247.386 2.430 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423265331 388043399 /nfs/dbraw/zinc/04/33/99/388043399.db2.gz CVJWDZBBWOGGON-LSDHHAIUSA-N 1 3 247.386 2.496 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)CNC)C1CCCC1 ZINC000423266189 388043603 /nfs/dbraw/zinc/04/36/03/388043603.db2.gz CYYDSEWFJDRZNZ-WCQYABFASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc(Cl)cc1 ZINC000258869049 135135425 /nfs/dbraw/zinc/13/54/25/135135425.db2.gz ZMTOUDGYOWRXJB-VIFPVBQESA-N 1 3 212.724 2.024 20 0 BEADHO CCC[C@H](C)[C@@H](CC)NCC[NH2+]CC ZINC000423244598 388028821 /nfs/dbraw/zinc/02/88/21/388028821.db2.gz LHXPWKBESVKCKQ-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO CCc1cccnc1[C@@H](C)NCC[C@@H]1CC[NH2+]C1 ZINC000423248747 388031172 /nfs/dbraw/zinc/03/11/72/388031172.db2.gz NSFWFAOMQGTTNS-OLZOCXBDSA-N 1 3 247.386 2.294 20 0 BEADHO CNC[C@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000423273555 388053812 /nfs/dbraw/zinc/05/38/12/388053812.db2.gz LBTKAIPXGXMBJQ-NSHDSACASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(F)cc(F)c1 ZINC000423272782 388053945 /nfs/dbraw/zinc/05/39/45/388053945.db2.gz IOHYFPOVLZVZHA-AMIZOPFISA-N 1 3 240.297 2.353 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423275935 388057505 /nfs/dbraw/zinc/05/75/05/388057505.db2.gz MJFSUVQLOXKFAH-XQQFMLRXSA-N 1 3 222.376 2.426 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H]1CCCC12CCC2 ZINC000423278846 388059493 /nfs/dbraw/zinc/05/94/93/388059493.db2.gz RRVRPTFNQCKTRO-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000423278849 388059909 /nfs/dbraw/zinc/05/99/09/388059909.db2.gz RRVRPTFNQCKTRO-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)CNC)C(C)(C)C ZINC000423278204 388060127 /nfs/dbraw/zinc/06/01/27/388060127.db2.gz QUIOKXFBJHGOFH-GHMZBOCLSA-N 1 3 200.370 2.256 20 0 BEADHO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CNC ZINC000423279096 388060499 /nfs/dbraw/zinc/06/04/99/388060499.db2.gz RXNRSHAJPXJUJX-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccncc1 ZINC000423277983 388060575 /nfs/dbraw/zinc/06/05/75/388060575.db2.gz QEYZBBCJQALBOY-CHWSQXEVSA-N 1 3 221.348 2.106 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccncc1 ZINC000423277985 388060670 /nfs/dbraw/zinc/06/06/70/388060670.db2.gz QEYZBBCJQALBOY-QWHCGFSZSA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423279566 388062152 /nfs/dbraw/zinc/06/21/52/388062152.db2.gz RNEYPUVCNWQOJC-XBFCOCLRSA-N 1 3 236.359 2.318 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)[C@H]1C[C@H]1C ZINC000423285226 388068683 /nfs/dbraw/zinc/06/86/83/388068683.db2.gz YBASZRXTOPYMDA-FHUSYTEZSA-N 1 3 210.365 2.138 20 0 BEADHO CCCCO[C@@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423286397 388072034 /nfs/dbraw/zinc/07/20/34/388072034.db2.gz GZHYSRACNQBIMQ-NWDGAFQWSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)[C@H]([NH2+]CC(C)(C)N)c1cccnc1 ZINC000423288579 388073679 /nfs/dbraw/zinc/07/36/79/388073679.db2.gz TUBKQEMTBZZMRZ-LBPRGKRZSA-N 1 3 221.348 2.106 20 0 BEADHO C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000423289895 388074756 /nfs/dbraw/zinc/07/47/56/388074756.db2.gz BXUABONHVNKOKS-YXMPFFBPSA-N 1 3 248.370 2.362 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423295543 388076940 /nfs/dbraw/zinc/07/69/40/388076940.db2.gz FCLNSQUVJFBLBR-GWCFXTLKSA-N 1 3 224.323 2.461 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423295546 388077752 /nfs/dbraw/zinc/07/77/52/388077752.db2.gz FCLNSQUVJFBLBR-ZWNOBZJWSA-N 1 3 224.323 2.461 20 0 BEADHO Cc1ccc2c(c1)OCCC[C@H]2NC[C@H](C)C[NH3+] ZINC000423298390 388079302 /nfs/dbraw/zinc/07/93/02/388079302.db2.gz OGAFVDWBLDBRED-TZMCWYRMSA-N 1 3 248.370 2.393 20 0 BEADHO Cc1nc2c(s1)[C@@H](NC[C@@H](C)C[NH3+])CCC2 ZINC000423297515 388079565 /nfs/dbraw/zinc/07/95/65/388079565.db2.gz KPICBQODINCPCP-WPRPVWTQSA-N 1 3 239.388 2.013 20 0 BEADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H](C)C[NH3+] ZINC000423297644 388080048 /nfs/dbraw/zinc/08/00/48/388080048.db2.gz LDDUONMPNRSWGX-XHDPSFHLSA-N 1 3 248.370 2.257 20 0 BEADHO CCC[C@@H](NC[C@H](C)C[NH3+])c1cccnc1 ZINC000423298431 388080258 /nfs/dbraw/zinc/08/02/58/388080258.db2.gz AACGURXOQKDCDV-DGCLKSJQSA-N 1 3 221.348 2.107 20 0 BEADHO C[N@H+](CCCCNCc1cncs1)C1CC1 ZINC000453593075 388088321 /nfs/dbraw/zinc/08/83/21/388088321.db2.gz GDKKJFWQMHXCRW-UHFFFAOYSA-N 1 3 239.388 2.107 20 0 BEADHO C[N@@H+](CCCCNCc1cncs1)C1CC1 ZINC000453593075 388088322 /nfs/dbraw/zinc/08/83/22/388088322.db2.gz GDKKJFWQMHXCRW-UHFFFAOYSA-N 1 3 239.388 2.107 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCC(C)(F)F)[C@H](C)C1 ZINC000449354690 388180090 /nfs/dbraw/zinc/18/00/90/388180090.db2.gz QMSZPVNBDOJOGQ-GHMZBOCLSA-N 1 3 234.334 2.352 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCC(C)(F)F)[C@H](C)C1 ZINC000449354690 388180093 /nfs/dbraw/zinc/18/00/93/388180093.db2.gz QMSZPVNBDOJOGQ-GHMZBOCLSA-N 1 3 234.334 2.352 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000449455706 388210485 /nfs/dbraw/zinc/21/04/85/388210485.db2.gz LOSYAEYVCHLIBI-ZSBJFDRYSA-N 1 3 210.365 2.273 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449455706 388210488 /nfs/dbraw/zinc/21/04/88/388210488.db2.gz LOSYAEYVCHLIBI-ZSBJFDRYSA-N 1 3 210.365 2.273 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000451491155 388277448 /nfs/dbraw/zinc/27/74/48/388277448.db2.gz ILQPVIXFVSZTAH-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1C[C@H](OC)C1(C)C ZINC000451491155 388277450 /nfs/dbraw/zinc/27/74/50/388277450.db2.gz ILQPVIXFVSZTAH-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCC1 ZINC000086404241 388348577 /nfs/dbraw/zinc/34/85/77/388348577.db2.gz JWTCIMSZIBUOQC-RYUDHWBXSA-N 1 3 210.365 2.426 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H]1CS[C@H](C)C1 ZINC000300369670 388362504 /nfs/dbraw/zinc/36/25/04/388362504.db2.gz ZQSKJOLMSWIVDA-VXGBXAGGSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H]1CS[C@H](C)C1 ZINC000300369670 388362506 /nfs/dbraw/zinc/36/25/06/388362506.db2.gz ZQSKJOLMSWIVDA-VXGBXAGGSA-N 1 3 230.421 2.200 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000300369670 388362508 /nfs/dbraw/zinc/36/25/08/388362508.db2.gz ZQSKJOLMSWIVDA-VXGBXAGGSA-N 1 3 230.421 2.200 20 0 BEADHO Cc1ncccc1CNCc1ccc(C[NH3+])cc1 ZINC000572879745 388382930 /nfs/dbraw/zinc/38/29/30/388382930.db2.gz UXEVQPROGSAVIX-UHFFFAOYSA-N 1 3 241.338 2.139 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCC(F)(F)C1 ZINC000300997950 388397665 /nfs/dbraw/zinc/39/76/65/388397665.db2.gz VHKLEWWKLKSFKN-MXWKQRLJSA-N 1 3 232.318 2.233 20 0 BEADHO C[NH+](C)CCC1CCN(CC2(F)CC2)CC1 ZINC000525977555 388440119 /nfs/dbraw/zinc/44/01/19/388440119.db2.gz VKWOTJWSLKJVHC-UHFFFAOYSA-N 1 3 228.355 2.152 20 0 BEADHO CCS[C@H]1CC[C@H](N(C)CCC[NH2+]C)C1 ZINC000336719421 388467571 /nfs/dbraw/zinc/46/75/71/388467571.db2.gz YEMQVQMZHDTJJW-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@H]1CC[C@H]([N@H+](C)CCCNC)C1 ZINC000336719421 388467574 /nfs/dbraw/zinc/46/75/74/388467574.db2.gz YEMQVQMZHDTJJW-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@H]1CC[C@H]([N@@H+](C)CCCNC)C1 ZINC000336719421 388467576 /nfs/dbraw/zinc/46/75/76/388467576.db2.gz YEMQVQMZHDTJJW-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2C[C@H](N)C2(C)C)cc1 ZINC000404766170 388432538 /nfs/dbraw/zinc/43/25/38/388432538.db2.gz GJXZFKFUVPTGKD-STQMWFEESA-N 1 3 218.344 2.210 20 0 BEADHO C[C@@H]([NH2+]CCCNC1CC1)[C@H]1CC1(C)C ZINC000397867828 388507569 /nfs/dbraw/zinc/50/75/69/388507569.db2.gz ZHGCHGBBQHNUBG-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976434 388513389 /nfs/dbraw/zinc/51/33/89/388513389.db2.gz KRJAUPNCDIHQBW-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000347093878 388522210 /nfs/dbraw/zinc/52/22/10/388522210.db2.gz GUQGYRUDRCRMGF-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](CN)C2)C1 ZINC000347093878 388522213 /nfs/dbraw/zinc/52/22/13/388522213.db2.gz GUQGYRUDRCRMGF-MCIONIFRSA-N 1 3 224.392 2.483 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@@H]2CCC[C@@H]21 ZINC000550934148 388617107 /nfs/dbraw/zinc/61/71/07/388617107.db2.gz WVMNOXKPDVJCNZ-NDKCEZKHSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2CCC[C@H]2F)[C@@H]2CCC[C@@H]21 ZINC000550934148 388617109 /nfs/dbraw/zinc/61/71/09/388617109.db2.gz WVMNOXKPDVJCNZ-NDKCEZKHSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2F)[C@@H]2CCC[C@@H]21 ZINC000550934148 388617111 /nfs/dbraw/zinc/61/71/11/388617111.db2.gz WVMNOXKPDVJCNZ-NDKCEZKHSA-N 1 3 240.366 2.339 20 0 BEADHO Cc1ccccc1OCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000517588805 388555444 /nfs/dbraw/zinc/55/54/44/388555444.db2.gz SVARTAXHWJCBSQ-UONOGXRCSA-N 1 3 248.370 2.233 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C(C)C ZINC000362975012 388562269 /nfs/dbraw/zinc/56/22/69/388562269.db2.gz CZGUXIHUSHUSFI-RRFJBIMHSA-N 1 3 248.370 2.392 20 0 BEADHO CS[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000521192232 388564312 /nfs/dbraw/zinc/56/43/12/388564312.db2.gz OCILFBUQBHIHSM-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000521192232 388564313 /nfs/dbraw/zinc/56/43/13/388564313.db2.gz OCILFBUQBHIHSM-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCOC(C)C)[C@@H](C)C1 ZINC000245412691 388577536 /nfs/dbraw/zinc/57/75/36/388577536.db2.gz AVPLBWSBHOEOPB-KBPBESRZSA-N 1 3 242.407 2.074 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCOC(C)C)[C@@H](C)C1 ZINC000245412691 388577537 /nfs/dbraw/zinc/57/75/37/388577537.db2.gz AVPLBWSBHOEOPB-KBPBESRZSA-N 1 3 242.407 2.074 20 0 BEADHO CC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125895579 388681751 /nfs/dbraw/zinc/68/17/51/388681751.db2.gz ZCIVWZNNYHPMRO-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C1CCCCC1 ZINC000530179352 388622480 /nfs/dbraw/zinc/62/24/80/388622480.db2.gz XDTBEIAFXLFSCR-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530213071 388627835 /nfs/dbraw/zinc/62/78/35/388627835.db2.gz TTYLTTHMKOAKFU-YPMHNXCESA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213071 388627837 /nfs/dbraw/zinc/62/78/37/388627837.db2.gz TTYLTTHMKOAKFU-YPMHNXCESA-N 1 3 224.392 2.482 20 0 BEADHO C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCNC12CCC2 ZINC000530214759 388629388 /nfs/dbraw/zinc/62/93/88/388629388.db2.gz CQOZGFHMUDVBNE-NEPJUHHUSA-N 1 3 220.360 2.193 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530215754 388629555 /nfs/dbraw/zinc/62/95/55/388629555.db2.gz IQLRPAJDBHAKLL-WXRRBKDZSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H](NCC1CC=CC1)[C@@H]1CCCC[NH2+]1 ZINC000530217417 388630029 /nfs/dbraw/zinc/63/00/29/388630029.db2.gz STIMROBEFVYYAC-YPMHNXCESA-N 1 3 208.349 2.073 20 0 BEADHO CC1(C)CC(CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000530216448 388630687 /nfs/dbraw/zinc/63/06/87/388630687.db2.gz BMZWMFMJADVUKC-CQSZACIVSA-N 1 3 222.376 2.108 20 0 BEADHO CC[C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221203 388632806 /nfs/dbraw/zinc/63/28/06/388632806.db2.gz OTNSCSGUROBYFI-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530221203 388632808 /nfs/dbraw/zinc/63/28/08/388632808.db2.gz OTNSCSGUROBYFI-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CC(C)(C)C1 ZINC000530225157 388635086 /nfs/dbraw/zinc/63/50/86/388635086.db2.gz WUSFEQSWPMLIBB-QWRGUYRKSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CC(C)(C)C1 ZINC000530225157 388635087 /nfs/dbraw/zinc/63/50/87/388635087.db2.gz WUSFEQSWPMLIBB-QWRGUYRKSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCC1 ZINC000530244972 388639083 /nfs/dbraw/zinc/63/90/83/388639083.db2.gz RLHLYPLSHTUOKB-JQWIXIFHSA-N 1 3 208.349 2.049 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000251307754 388746559 /nfs/dbraw/zinc/74/65/59/388746559.db2.gz JHDLNWFINJHWCL-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO CSC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248662958 388689583 /nfs/dbraw/zinc/68/95/83/388689583.db2.gz YWXLCAOYVKDYKP-RYUDHWBXSA-N 1 3 240.416 2.098 20 0 BEADHO CSC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248662958 388689587 /nfs/dbraw/zinc/68/95/87/388689587.db2.gz YWXLCAOYVKDYKP-RYUDHWBXSA-N 1 3 240.416 2.098 20 0 BEADHO COC[C@@H](C)C[NH2+]CCCN1CCCC[C@@H]1C ZINC000225690652 388726082 /nfs/dbraw/zinc/72/60/82/388726082.db2.gz NGGHXHZUPPIFAV-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000539624864 388768268 /nfs/dbraw/zinc/76/82/68/388768268.db2.gz CDGOSYOGYDFAHE-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CC[C@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000539624864 388768271 /nfs/dbraw/zinc/76/82/71/388768271.db2.gz CDGOSYOGYDFAHE-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccoc1 ZINC000564828083 388891738 /nfs/dbraw/zinc/89/17/38/388891738.db2.gz YXRFASREDTVWGM-GXFFZTMASA-N 1 3 222.332 2.448 20 0 BEADHO C[C@@H](Cc1ccsc1)N[C@@H](C[NH3+])C1CC1 ZINC000565762733 388967295 /nfs/dbraw/zinc/96/72/95/388967295.db2.gz FLKNQOKCUKQFPL-CABZTGNLSA-N 1 3 224.373 2.006 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCC[C@H]2F)C1 ZINC000565313660 388937240 /nfs/dbraw/zinc/93/72/40/388937240.db2.gz MNCABZDSHFMZSD-DDHJBXDOSA-N 1 3 214.328 2.127 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000566088402 388986578 /nfs/dbraw/zinc/98/65/78/388986578.db2.gz LNHOBSJHJZSYOP-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CC[C@@H]1C1CC1 ZINC000566088402 388986579 /nfs/dbraw/zinc/98/65/79/388986579.db2.gz LNHOBSJHJZSYOP-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN1 ZINC000400635437 533367206 /nfs/dbraw/zinc/36/72/06/533367206.db2.gz MREBKPCYLHAFFX-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CS[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000252951169 133652304 /nfs/dbraw/zinc/65/23/04/133652304.db2.gz DPCXQIVTHOEXAU-MROQNXINSA-N 1 3 242.432 2.248 20 0 BEADHO c1cnc2ccc(C[NH2+]C3CCNCC3)cc2c1 ZINC000335278783 133823782 /nfs/dbraw/zinc/82/37/82/133823782.db2.gz PDKYXTRZLQMZMB-UHFFFAOYSA-N 1 3 241.338 2.076 20 0 BEADHO Cc1cnccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336103250 134083972 /nfs/dbraw/zinc/08/39/72/134083972.db2.gz UBWSFIXTWYYXEH-CQSZACIVSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](N)[C@@H](C)C2)cc1 ZINC000336128589 134093654 /nfs/dbraw/zinc/09/36/54/134093654.db2.gz FEZBXXCFABHLKG-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](N)[C@@H](C)C2)cc1 ZINC000336128589 134093655 /nfs/dbraw/zinc/09/36/55/134093655.db2.gz FEZBXXCFABHLKG-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO CC[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178038488 134302753 /nfs/dbraw/zinc/30/27/53/134302753.db2.gz YQGKXZDJLNVYKF-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178038476 134302807 /nfs/dbraw/zinc/30/28/07/134302807.db2.gz YQGKXZDJLNVYKF-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cccc(Cl)c1 ZINC000220482960 134305287 /nfs/dbraw/zinc/30/52/87/134305287.db2.gz HRENNMFHQNCNNC-VIFPVBQESA-N 1 3 212.724 2.167 20 0 BEADHO Cc1ccc([C@H](C)N(C)CCC[NH3+])cc1 ZINC000227745183 134391958 /nfs/dbraw/zinc/39/19/58/134391958.db2.gz CITFBEVLVPERFW-LBPRGKRZSA-N 1 3 206.333 2.337 20 0 BEADHO CSCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250961996 135061202 /nfs/dbraw/zinc/06/12/02/135061202.db2.gz WXTWDRARRHDWTH-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO COCC[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251154559 135065161 /nfs/dbraw/zinc/06/51/61/135065161.db2.gz BFGHGHSGWPHYNT-BFHYXJOUSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCNC2)C1 ZINC000251995301 135082930 /nfs/dbraw/zinc/08/29/30/135082930.db2.gz ZORAWHLQAWTHSP-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251995301 135082931 /nfs/dbraw/zinc/08/29/31/135082931.db2.gz ZORAWHLQAWTHSP-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCC1 ZINC000086501049 135088272 /nfs/dbraw/zinc/08/82/72/135088272.db2.gz LCAUEIKESIDJIV-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000252675434 135095697 /nfs/dbraw/zinc/09/56/97/135095697.db2.gz ZTUBPWUGZCJWMQ-OLZOCXBDSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[NH2+][C@@H]2CCNC2)C1 ZINC000086730295 135096041 /nfs/dbraw/zinc/09/60/41/135096041.db2.gz CUXNURRAYIXTJP-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1csc([C@@H](C)NC2CCC([NH3+])CC2)n1 ZINC000086730389 135096063 /nfs/dbraw/zinc/09/60/63/135096063.db2.gz LBFAQWONSWFNNI-KPPDAEKUSA-N 1 3 239.388 2.372 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252711049 135099244 /nfs/dbraw/zinc/09/92/44/135099244.db2.gz IJROWCHYEGUBNK-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252711049 135099246 /nfs/dbraw/zinc/09/92/46/135099246.db2.gz IJROWCHYEGUBNK-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000252711049 135099248 /nfs/dbraw/zinc/09/92/48/135099248.db2.gz IJROWCHYEGUBNK-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)CC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252672694 135108733 /nfs/dbraw/zinc/10/87/33/135108733.db2.gz CFDIWLMPNAIRDQ-OLZOCXBDSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672694 135108735 /nfs/dbraw/zinc/10/87/35/135108735.db2.gz CFDIWLMPNAIRDQ-OLZOCXBDSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672694 135108738 /nfs/dbraw/zinc/10/87/38/135108738.db2.gz CFDIWLMPNAIRDQ-OLZOCXBDSA-N 1 3 210.365 2.249 20 0 BEADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252891735 135116948 /nfs/dbraw/zinc/11/69/48/135116948.db2.gz LMTAIAIPRNSLKO-VXGBXAGGSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccsc1CN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252891735 135116949 /nfs/dbraw/zinc/11/69/49/135116949.db2.gz LMTAIAIPRNSLKO-VXGBXAGGSA-N 1 3 238.400 2.486 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CCC1 ZINC000252981504 135118798 /nfs/dbraw/zinc/11/87/98/135118798.db2.gz RKPYDSVNVOOOGP-WCFLWFBJSA-N 1 3 210.365 2.282 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)C[C@H](N)CC(C)C ZINC000253065655 135120470 /nfs/dbraw/zinc/12/04/70/135120470.db2.gz INPGAKYWWZJVDG-VXGBXAGGSA-N 1 3 232.437 2.433 20 0 BEADHO Cc1ccsc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000087308682 135122139 /nfs/dbraw/zinc/12/21/39/135122139.db2.gz DCMLLIWHCXKKSE-WDEREUQCSA-N 1 3 224.373 2.416 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000253285779 135126012 /nfs/dbraw/zinc/12/60/12/135126012.db2.gz OAUJZIDOXZYVBN-MROQNXINSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)c(C)c1 ZINC000258769536 135134289 /nfs/dbraw/zinc/13/42/89/135134289.db2.gz AZWOYXUAUQZFNZ-ZIAGYGMSSA-N 1 3 218.344 2.273 20 0 BEADHO CC(C)CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257641456 135137265 /nfs/dbraw/zinc/13/72/65/135137265.db2.gz BAOVWNMCWOKAGQ-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257690568 135139533 /nfs/dbraw/zinc/13/95/33/135139533.db2.gz JBACJOGWDMWQSV-DZGCQCFKSA-N 1 3 230.355 2.433 20 0 BEADHO CC(C)(N)C[NH2+][C@H]1CCCc2sccc21 ZINC000261529490 135155988 /nfs/dbraw/zinc/15/59/88/135155988.db2.gz AVNWPFXGGGNOQR-JTQLQIEISA-N 1 3 224.373 2.452 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCN1 ZINC000261529822 135156703 /nfs/dbraw/zinc/15/67/03/135156703.db2.gz BMAPOBYHKKYUOD-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCCCCC1 ZINC000261531027 135159194 /nfs/dbraw/zinc/15/91/94/135159194.db2.gz DXNOHFVBMYCCIG-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccsc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261531320 135159551 /nfs/dbraw/zinc/15/95/51/135159551.db2.gz GCLKHZCNHOOPEF-LBPRGKRZSA-N 1 3 224.373 2.227 20 0 BEADHO Cc1ccsc1C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261531320 135159553 /nfs/dbraw/zinc/15/95/53/135159553.db2.gz GCLKHZCNHOOPEF-LBPRGKRZSA-N 1 3 224.373 2.227 20 0 BEADHO Cc1ccsc1C[N@H+]1CC[C@@](C)(CN)C1 ZINC000261531320 135159555 /nfs/dbraw/zinc/15/95/55/135159555.db2.gz GCLKHZCNHOOPEF-LBPRGKRZSA-N 1 3 224.373 2.227 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC1CCCC1 ZINC000261531588 135160794 /nfs/dbraw/zinc/16/07/94/135160794.db2.gz HEGSHJVHWVDGEM-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC1CCCC1 ZINC000261531588 135160795 /nfs/dbraw/zinc/16/07/95/135160795.db2.gz HEGSHJVHWVDGEM-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCSC1 ZINC000261533917 135165911 /nfs/dbraw/zinc/16/59/11/135165911.db2.gz LFRXWXHHKJRCCX-AGIUHOORSA-N 1 3 242.432 2.392 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccs1 ZINC000261535070 135168668 /nfs/dbraw/zinc/16/86/68/135168668.db2.gz NRIIARWNIVDMOJ-VWYCJHECSA-N 1 3 224.373 2.397 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CC1CCCC1 ZINC000261536871 135173564 /nfs/dbraw/zinc/17/35/64/135173564.db2.gz UBMYBWSHVTZFKD-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261537910 135174831 /nfs/dbraw/zinc/17/48/31/135174831.db2.gz WQFKQQDPDDADMJ-XQHKEYJVSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN ZINC000261538371 135175706 /nfs/dbraw/zinc/17/57/06/135175706.db2.gz XWFMTTYWDJUQSL-YVECIDJPSA-N 1 3 210.365 2.140 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261538721 135176447 /nfs/dbraw/zinc/17/64/47/135176447.db2.gz ZBJRIAHAIQSIKJ-VXGBXAGGSA-N 1 3 230.421 2.235 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261538899 135177157 /nfs/dbraw/zinc/17/71/57/135177157.db2.gz ZSWPITWONYNDLQ-TUAOUCFPSA-N 1 3 206.333 2.381 20 0 BEADHO Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H](N)C2)cc1C ZINC000261539576 135177936 /nfs/dbraw/zinc/17/79/36/135177936.db2.gz AAVRBUQDCBTXEC-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H](N)C2)cc1C ZINC000261539576 135177937 /nfs/dbraw/zinc/17/79/37/135177937.db2.gz AAVRBUQDCBTXEC-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1CCCC12CCC2 ZINC000261548857 135187894 /nfs/dbraw/zinc/18/78/94/135187894.db2.gz NYSMREDTCMIVQB-LBPRGKRZSA-N 1 3 208.349 2.005 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1CCCC12CCC2 ZINC000261548857 135187895 /nfs/dbraw/zinc/18/78/95/135187895.db2.gz NYSMREDTCMIVQB-LBPRGKRZSA-N 1 3 208.349 2.005 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261556317 135196065 /nfs/dbraw/zinc/19/60/65/135196065.db2.gz BWSNHHYCPGYUKB-XHSDSOJGSA-N 1 3 244.382 2.473 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000261558464 135199369 /nfs/dbraw/zinc/19/93/69/135199369.db2.gz SMDHRCZCNLZFJG-IUODEOHRSA-N 1 3 232.371 2.337 20 0 BEADHO C1CC2CCC1C[C@@H]2[NH2+][C@H]1CCCNCC1 ZINC000261558905 135199419 /nfs/dbraw/zinc/19/94/19/135199419.db2.gz YQCDSFYXNNVSEG-HOAMVYINSA-N 1 3 222.376 2.297 20 0 BEADHO C1CC2CCC1C[C@@H]2[NH2+][C@@H]1CCCNCC1 ZINC000261558908 135199865 /nfs/dbraw/zinc/19/98/65/135199865.db2.gz YQCDSFYXNNVSEG-PQAZSJQKSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1ccccc1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561709 135202906 /nfs/dbraw/zinc/20/29/06/135202906.db2.gz VRTWUIFDHCVLAI-UKRRQHHQSA-N 1 3 230.355 2.036 20 0 BEADHO Cc1ccc(F)cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564735 135206757 /nfs/dbraw/zinc/20/67/57/135206757.db2.gz HLFFRXGXANSTNY-GLQYFDAESA-N 1 3 248.345 2.303 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000261565145 135207133 /nfs/dbraw/zinc/20/71/33/135207133.db2.gz HQTBZGOZCRAUJH-NZYIEUEFSA-N 1 3 248.414 2.399 20 0 BEADHO Cc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261566584 135208961 /nfs/dbraw/zinc/20/89/61/135208961.db2.gz ZDDYZVFSBJPZBM-SOUVJXGZSA-N 1 3 230.355 2.164 20 0 BEADHO CC(C)(N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000261569401 135210945 /nfs/dbraw/zinc/21/09/45/135210945.db2.gz GHIUYKLNWUAXBK-ZDUSSCGKSA-N 1 3 218.344 2.391 20 0 BEADHO CNC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC000084329946 135211270 /nfs/dbraw/zinc/21/12/70/135211270.db2.gz WMZGVHCKQCBDFF-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC000084329946 135211271 /nfs/dbraw/zinc/21/12/71/135211271.db2.gz WMZGVHCKQCBDFF-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO NC1CC[NH+](CC2CCCCCC2)CC1 ZINC000084329915 135211384 /nfs/dbraw/zinc/21/13/84/135211384.db2.gz INQFAVVNLUMSGT-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO [NH3+]C1CCN(CC2CCCCCC2)CC1 ZINC000084329915 135211386 /nfs/dbraw/zinc/21/13/86/135211386.db2.gz INQFAVVNLUMSGT-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO C1CCC2(C1)CCCC[C@H]2[NH2+][C@@H]1CCNC1 ZINC000261576365 135217588 /nfs/dbraw/zinc/21/75/88/135217588.db2.gz KISVFLIPUCRRBP-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)(N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000261576891 135218695 /nfs/dbraw/zinc/21/86/95/135218695.db2.gz KQTSOIRLNCHWLK-CYBMUJFWSA-N 1 3 218.344 2.465 20 0 BEADHO C[N@H+](C[C@H]1CCCNC1)C(C1CC1)C1CC1 ZINC000261577656 135219031 /nfs/dbraw/zinc/21/90/31/135219031.db2.gz LGXIMFKLTFMVRH-NSHDSACASA-N 1 3 222.376 2.106 20 0 BEADHO C[N@@H+](C[C@H]1CCCNC1)C(C1CC1)C1CC1 ZINC000261577656 135219032 /nfs/dbraw/zinc/21/90/32/135219032.db2.gz LGXIMFKLTFMVRH-NSHDSACASA-N 1 3 222.376 2.106 20 0 BEADHO CC1CCC(C[NH2+][C@H]2CCNC[C@@H]2C)CC1 ZINC000261582812 135224137 /nfs/dbraw/zinc/22/41/37/135224137.db2.gz OSIRHHWQUXRDMM-YIOUJQMASA-N 1 3 224.392 2.400 20 0 BEADHO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)c1 ZINC000261585508 135226860 /nfs/dbraw/zinc/22/68/60/135226860.db2.gz QMVJCYFCQVMRML-AXFHLTTASA-N 1 3 222.332 2.082 20 0 BEADHO C[C@H]1CC[C@]2(CCN(CC(C)(C)[NH3+])C2)C1 ZINC000261589645 135230046 /nfs/dbraw/zinc/23/00/46/135230046.db2.gz UAABZOQFBFNGIW-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)[C@H](C)C1 ZINC000261590608 135231006 /nfs/dbraw/zinc/23/10/06/135231006.db2.gz UQMNJLKYNUHJAG-PEBLQZBPSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)[C@@H](C)C1 ZINC000261590601 135231152 /nfs/dbraw/zinc/23/11/52/135231152.db2.gz UQMNJLKYNUHJAG-IKOXMDCHSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1cc(F)ccc1CCNCC(C)(C)[NH3+] ZINC000261592003 135232737 /nfs/dbraw/zinc/23/27/37/135232737.db2.gz VQGYPHBESRHCKR-UHFFFAOYSA-N 1 3 224.323 2.004 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccccc1 ZINC000261595243 135235061 /nfs/dbraw/zinc/23/50/61/135235061.db2.gz XYPPYPWYMRTMSQ-LLVKDONJSA-N 1 3 204.317 2.219 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccccc1 ZINC000261599707 135237482 /nfs/dbraw/zinc/23/74/82/135237482.db2.gz ZYJNXGDTPNCJHR-DYEKYZERSA-N 1 3 218.344 2.335 20 0 BEADHO C[C@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613994 135244637 /nfs/dbraw/zinc/24/46/37/135244637.db2.gz APCUMVYQUZTZOP-WFASDCNBSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613994 135244639 /nfs/dbraw/zinc/24/46/39/135244639.db2.gz APCUMVYQUZTZOP-WFASDCNBSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000261749101 135250131 /nfs/dbraw/zinc/25/01/31/135250131.db2.gz LRJOZIXNYFPQDR-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H]1CC2(CCC2)C[N@H+]1C[C@@H]1CCCNC1 ZINC000261749101 135250132 /nfs/dbraw/zinc/25/01/32/135250132.db2.gz LRJOZIXNYFPQDR-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCCNC1 ZINC000261749100 135250186 /nfs/dbraw/zinc/25/01/86/135250186.db2.gz LRJOZIXNYFPQDR-OLZOCXBDSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H]1CCCNC1 ZINC000261749100 135250187 /nfs/dbraw/zinc/25/01/87/135250187.db2.gz LRJOZIXNYFPQDR-OLZOCXBDSA-N 1 3 222.376 2.251 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261982469 135269392 /nfs/dbraw/zinc/26/93/92/135269392.db2.gz RNYHWSMDDPKJTN-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261982469 135269394 /nfs/dbraw/zinc/26/93/94/135269394.db2.gz RNYHWSMDDPKJTN-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261982464 135269970 /nfs/dbraw/zinc/26/99/70/135269970.db2.gz RNYHWSMDDPKJTN-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261982464 135269972 /nfs/dbraw/zinc/26/99/72/135269972.db2.gz RNYHWSMDDPKJTN-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262149958 135282346 /nfs/dbraw/zinc/28/23/46/135282346.db2.gz ZVCRQDHQDAAVBI-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000081517052 135387100 /nfs/dbraw/zinc/38/71/00/135387100.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000081517052 135387102 /nfs/dbraw/zinc/38/71/02/135387102.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CC2CCC2)C1 ZINC000081517052 135387105 /nfs/dbraw/zinc/38/71/05/135387105.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CCC2)C1 ZINC000081517052 135387106 /nfs/dbraw/zinc/38/71/06/135387106.db2.gz URSXZUDFLCDMCE-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000089148167 135531457 /nfs/dbraw/zinc/53/14/57/135531457.db2.gz NHXDNWLPYGAZEF-OCCSQVGLSA-N 1 3 236.334 2.085 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@@H]21 ZINC000348253791 136057171 /nfs/dbraw/zinc/05/71/71/136057171.db2.gz FNDHLNSTAPQOMF-IIRVCBMXSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@@H]21 ZINC000348253791 136057172 /nfs/dbraw/zinc/05/71/72/136057172.db2.gz FNDHLNSTAPQOMF-IIRVCBMXSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000348253793 136057459 /nfs/dbraw/zinc/05/74/59/136057459.db2.gz FNDHLNSTAPQOMF-NGDQXYMTSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000348253793 136057460 /nfs/dbraw/zinc/05/74/60/136057460.db2.gz FNDHLNSTAPQOMF-NGDQXYMTSA-N 1 3 244.329 2.102 20 0 BEADHO Cc1cnc([C@@H](C)N2CCC3(C2)CC[NH2+]CC3)o1 ZINC000335390832 136090707 /nfs/dbraw/zinc/09/07/07/136090707.db2.gz BDGUXKYCRQOTSI-GFCCVEGCSA-N 1 3 249.358 2.120 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121270 397800799 /nfs/dbraw/zinc/80/07/99/397800799.db2.gz SBWSGUJIOLOLOM-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122435 397807063 /nfs/dbraw/zinc/80/70/63/397807063.db2.gz REHMAMMHZLHWPE-KGLIPLIRSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000388106822 397871684 /nfs/dbraw/zinc/87/16/84/397871684.db2.gz XVXHKKGSJKJTOS-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000388106822 397871687 /nfs/dbraw/zinc/87/16/87/397871687.db2.gz XVXHKKGSJKJTOS-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000388106822 397871695 /nfs/dbraw/zinc/87/16/95/397871695.db2.gz XVXHKKGSJKJTOS-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO CSCC[C@H](C)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000156881998 397927224 /nfs/dbraw/zinc/92/72/24/397927224.db2.gz SHEVVPZFANWOON-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO Cc1occc1CN(C)CC1CC[NH+](C)CC1 ZINC000414381770 397919571 /nfs/dbraw/zinc/91/95/71/397919571.db2.gz MVDGZSOSNBFSPZ-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCCO1 ZINC000383087825 397998397 /nfs/dbraw/zinc/99/83/97/397998397.db2.gz KPPLKLDYCSGGMG-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000383087825 397998398 /nfs/dbraw/zinc/99/83/98/397998398.db2.gz KPPLKLDYCSGGMG-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414817723 398042611 /nfs/dbraw/zinc/04/26/11/398042611.db2.gz BOJPSUKBSUYLNT-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000414858848 398065715 /nfs/dbraw/zinc/06/57/15/398065715.db2.gz SPZPIOXXLOHYNH-MELADBBJSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414857826 398065739 /nfs/dbraw/zinc/06/57/39/398065739.db2.gz QHCKKUWBHDJRTF-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CC[NH2+]CCNC[C@@H]1CCC[C@@H](CC)C1 ZINC000414829856 398051562 /nfs/dbraw/zinc/05/15/62/398051562.db2.gz NIIDKYNDRPNDMN-CHWSQXEVSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](N)c3ccccc32)[C@H](C)O1 ZINC000384635430 398100520 /nfs/dbraw/zinc/10/05/20/398100520.db2.gz RWCBCLWIBJTKBP-AVFNUOGKSA-N 1 3 246.354 2.287 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](N)c3ccccc32)[C@@H](C)O1 ZINC000384635432 398100558 /nfs/dbraw/zinc/10/05/58/398100558.db2.gz RWCBCLWIBJTKBP-HGUIZCDCSA-N 1 3 246.354 2.287 20 0 BEADHO CC[C@@H]1C[N@H+](CC2(C)CCC2)CC[C@H]1N ZINC000389693482 398125495 /nfs/dbraw/zinc/12/54/95/398125495.db2.gz IFOAPNIPAXYCBQ-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1N ZINC000389693482 398125499 /nfs/dbraw/zinc/12/54/99/398125499.db2.gz IFOAPNIPAXYCBQ-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CN(CC2(C)CCC2)CC[C@H]1[NH3+] ZINC000389693482 398125503 /nfs/dbraw/zinc/12/55/03/398125503.db2.gz IFOAPNIPAXYCBQ-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)[NH2+]Cc1ccccc1OCCN(C)C ZINC000033465875 167120105 /nfs/dbraw/zinc/12/01/05/167120105.db2.gz DCJWWWYRUYAWPB-UHFFFAOYSA-N 1 3 236.359 2.125 20 0 BEADHO COc1ccc(CNCCCC[NH3+])c(Cl)c1 ZINC000258843110 322878783 /nfs/dbraw/zinc/87/87/83/322878783.db2.gz HBHXLANUTXSQMM-UHFFFAOYSA-N 1 3 242.750 2.177 20 0 BEADHO C[NH2+]CCCN(C)CCC(C)(C)C1CC1 ZINC000405944832 487585259 /nfs/dbraw/zinc/58/52/59/487585259.db2.gz BJIFPNBOTYWDQV-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@H+](C)CCC(C)(C)C1CC1 ZINC000405944832 487585266 /nfs/dbraw/zinc/58/52/66/487585266.db2.gz BJIFPNBOTYWDQV-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)CCC(C)(C)C1CC1 ZINC000405944832 487585272 /nfs/dbraw/zinc/58/52/72/487585272.db2.gz BJIFPNBOTYWDQV-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000086935458 487593555 /nfs/dbraw/zinc/59/35/55/487593555.db2.gz XNXSLOZZELLKER-AGIUHOORSA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CS[C@H](C)C2)C1 ZINC000086935458 487593557 /nfs/dbraw/zinc/59/35/57/487593557.db2.gz XNXSLOZZELLKER-AGIUHOORSA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CS[C@H](C)C2)C1 ZINC000086935458 487593559 /nfs/dbraw/zinc/59/35/59/487593559.db2.gz XNXSLOZZELLKER-AGIUHOORSA-N 1 3 242.432 2.200 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C(C)(C)C ZINC000162623017 487595755 /nfs/dbraw/zinc/59/57/55/487595755.db2.gz VYRIYRFLOCZPJD-UTUOFQBUSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C(C)(C)C ZINC000162622786 487595789 /nfs/dbraw/zinc/59/57/89/487595789.db2.gz VYRIYRFLOCZPJD-IJLUTSLNSA-N 1 3 212.381 2.386 20 0 BEADHO CC(C)SCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368312766 167326308 /nfs/dbraw/zinc/32/63/08/167326308.db2.gz AMGPWAZNQFIGRV-ZDUSSCGKSA-N 1 3 242.432 2.156 20 0 BEADHO CC(C)SCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368312766 167326310 /nfs/dbraw/zinc/32/63/10/167326310.db2.gz AMGPWAZNQFIGRV-ZDUSSCGKSA-N 1 3 242.432 2.156 20 0 BEADHO NC[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246138 409542026 /nfs/dbraw/zinc/54/20/26/409542026.db2.gz PUWOFEAAWOKKDJ-ZFWWWQNUSA-N 1 3 244.382 2.387 20 0 BEADHO NC[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000662246138 409542031 /nfs/dbraw/zinc/54/20/31/409542031.db2.gz PUWOFEAAWOKKDJ-ZFWWWQNUSA-N 1 3 244.382 2.387 20 0 BEADHO CO[C@H](CN(C)CC(C)(C)C[NH3+])C1CCCC1 ZINC000662247903 409544114 /nfs/dbraw/zinc/54/41/14/409544114.db2.gz ODKGBZMWEAJDTE-CYBMUJFWSA-N 1 3 242.407 2.108 20 0 BEADHO CO[C@H](C[N@H+](C)CC(C)(C)CN)C1CCCC1 ZINC000662247903 409544123 /nfs/dbraw/zinc/54/41/23/409544123.db2.gz ODKGBZMWEAJDTE-CYBMUJFWSA-N 1 3 242.407 2.108 20 0 BEADHO CO[C@H](C[N@@H+](C)CC(C)(C)CN)C1CCCC1 ZINC000662247903 409544129 /nfs/dbraw/zinc/54/41/29/409544129.db2.gz ODKGBZMWEAJDTE-CYBMUJFWSA-N 1 3 242.407 2.108 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662318401 409636648 /nfs/dbraw/zinc/63/66/48/409636648.db2.gz ZQUHWOWGAVSRIQ-ZFWWWQNUSA-N 1 3 236.403 2.498 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662318401 409636657 /nfs/dbraw/zinc/63/66/57/409636657.db2.gz ZQUHWOWGAVSRIQ-ZFWWWQNUSA-N 1 3 236.403 2.498 20 0 BEADHO CC1([NH3+])CCN(CCCC2CCC2)CC1 ZINC000662270021 409572172 /nfs/dbraw/zinc/57/21/72/409572172.db2.gz GQKIRGTXVQKZNP-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@](C)(CN)C1 ZINC000662272876 409578327 /nfs/dbraw/zinc/57/83/27/409578327.db2.gz JNKHIPRRSUWAOL-ZYHUDNBSSA-N 1 3 234.334 2.339 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@](C)(CN)C1 ZINC000662272876 409578330 /nfs/dbraw/zinc/57/83/30/409578330.db2.gz JNKHIPRRSUWAOL-ZYHUDNBSSA-N 1 3 234.334 2.339 20 0 BEADHO CO[C@H](CN1CC[C@@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000662284285 409614378 /nfs/dbraw/zinc/61/43/78/409614378.db2.gz MJIRHMJSRGEEBY-MRVWCRGKSA-N 1 3 240.391 2.003 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])c(C)c1 ZINC000259119731 409732273 /nfs/dbraw/zinc/73/22/73/409732273.db2.gz TVLDIYPECVUTCX-HUUCEWRRSA-N 1 3 232.371 2.315 20 0 BEADHO c1ccc([C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000227200874 487612902 /nfs/dbraw/zinc/61/29/02/487612902.db2.gz GVPORTGQBXZZQJ-ZFWWWQNUSA-N 1 3 230.355 2.085 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000650703638 410332538 /nfs/dbraw/zinc/33/25/38/410332538.db2.gz JXHAAOGVLLDZPG-QWRGUYRKSA-N 1 3 218.344 2.001 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703185 410334869 /nfs/dbraw/zinc/33/48/69/410334869.db2.gz ORTMJTLUAYOFAR-OLZOCXBDSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703185 410334876 /nfs/dbraw/zinc/33/48/76/410334876.db2.gz ORTMJTLUAYOFAR-OLZOCXBDSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c1CCC2 ZINC000650703185 410334882 /nfs/dbraw/zinc/33/48/82/410334882.db2.gz ORTMJTLUAYOFAR-OLZOCXBDSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2c1CCC2 ZINC000650704296 410336636 /nfs/dbraw/zinc/33/66/36/410336636.db2.gz RSQRWMLHKAZJRZ-VXGBXAGGSA-N 1 3 232.371 2.391 20 0 BEADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000650741961 410375591 /nfs/dbraw/zinc/37/55/91/410375591.db2.gz OOWQYITZTFDBKW-WHOHXGKFSA-N 1 3 210.365 2.281 20 0 BEADHO Cc1nc([C@H](C)NCCC2(C[NH3+])CC2)cs1 ZINC000650748120 410386789 /nfs/dbraw/zinc/38/67/89/410386789.db2.gz NJFLWEQPWZUULW-VIFPVBQESA-N 1 3 239.388 2.231 20 0 BEADHO C[C@H](NCCC1CC[NH2+]CC1)c1cscn1 ZINC000650763200 410411847 /nfs/dbraw/zinc/41/18/47/410411847.db2.gz UPIOTDRIYYIWSM-JTQLQIEISA-N 1 3 239.388 2.183 20 0 BEADHO CO[C@H](CN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283938 410673695 /nfs/dbraw/zinc/67/36/95/410673695.db2.gz BRSKJNDFRBRNLL-HUUCEWRRSA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@H](C[N@@H+]1CC[C@](C)(CN)C1)c1ccccc1 ZINC000393283938 410673697 /nfs/dbraw/zinc/67/36/97/410673697.db2.gz BRSKJNDFRBRNLL-HUUCEWRRSA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@H](C[N@H+]1CC[C@](C)(CN)C1)c1ccccc1 ZINC000393283938 410673700 /nfs/dbraw/zinc/67/37/00/410673700.db2.gz BRSKJNDFRBRNLL-HUUCEWRRSA-N 1 3 248.370 2.045 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc2c1CCC2 ZINC000653280255 410633918 /nfs/dbraw/zinc/63/39/18/410633918.db2.gz JFYJTMZPIDYIJT-DOMZBBRYSA-N 1 3 244.382 2.487 20 0 BEADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)co1 ZINC000665262933 410737893 /nfs/dbraw/zinc/73/78/93/410737893.db2.gz CGVJYZHFORFSGQ-ZNMIVQPWSA-N 1 3 248.370 2.332 20 0 BEADHO c1cc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)co1 ZINC000665262932 410737925 /nfs/dbraw/zinc/73/79/25/410737925.db2.gz CGVJYZHFORFSGQ-RRFJBIMHSA-N 1 3 248.370 2.332 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC000665266707 410739781 /nfs/dbraw/zinc/73/97/81/410739781.db2.gz HYZIAWDGAPAJDF-STQMWFEESA-N 1 3 210.365 2.426 20 0 BEADHO C[C@H](N[C@@H]1CC[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000665274043 410743102 /nfs/dbraw/zinc/74/31/02/410743102.db2.gz IOUFJCDYGLALBT-NILFDRSVSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1c1ccccc1)C1CNC1 ZINC000665274043 410743109 /nfs/dbraw/zinc/74/31/09/410743109.db2.gz IOUFJCDYGLALBT-NILFDRSVSA-N 1 3 230.355 2.130 20 0 BEADHO CC(C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000022862431 167118906 /nfs/dbraw/zinc/11/89/06/167118906.db2.gz XPPFUZCMBSWWMT-UHFFFAOYSA-N 1 3 206.333 2.246 20 0 BEADHO CC(C)OCCC[N@@H+](C)CCCN1CCCC1 ZINC000337274614 167208205 /nfs/dbraw/zinc/20/82/05/167208205.db2.gz PWGAJSKPCLWZKS-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO CC(C)OCCC[N@H+](C)CCCN1CCCC1 ZINC000337274614 167208203 /nfs/dbraw/zinc/20/82/03/167208203.db2.gz PWGAJSKPCLWZKS-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO CC(C)Oc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000342125185 167306547 /nfs/dbraw/zinc/30/65/47/167306547.db2.gz DBDAFGOLDYDPQE-UHFFFAOYSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CC1(C)C ZINC000397837524 410936583 /nfs/dbraw/zinc/93/65/83/410936583.db2.gz SZYOVEOKBZXBAW-NNYUYHANSA-N 1 3 210.365 2.281 20 0 BEADHO CC(C)[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062077838 167382280 /nfs/dbraw/zinc/38/22/80/167382280.db2.gz LXJWVAASEMDHFG-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CC1(C)C ZINC000397804445 410933713 /nfs/dbraw/zinc/93/37/13/410933713.db2.gz NBSVFRYNAWJRSG-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1CCCNC1)C(C)(C)C ZINC000162704304 487620080 /nfs/dbraw/zinc/62/00/80/487620080.db2.gz BRXXXKIFMIVWFQ-NEPJUHHUSA-N 1 3 212.381 2.258 20 0 BEADHO CCSCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397298426 411143396 /nfs/dbraw/zinc/14/33/96/411143396.db2.gz CLOHBHRCMMEOEC-SRVKXCTJSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397298426 411143397 /nfs/dbraw/zinc/14/33/97/411143397.db2.gz CLOHBHRCMMEOEC-SRVKXCTJSA-N 1 3 230.421 2.045 20 0 BEADHO CCSCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397298426 411143398 /nfs/dbraw/zinc/14/33/98/411143398.db2.gz CLOHBHRCMMEOEC-SRVKXCTJSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CSC[C@H]1C ZINC000651865230 411147626 /nfs/dbraw/zinc/14/76/26/411147626.db2.gz RDKCXAAOHKVTSR-OLZOCXBDSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CSC[C@H]1C ZINC000651865230 411147627 /nfs/dbraw/zinc/14/76/27/411147627.db2.gz RDKCXAAOHKVTSR-OLZOCXBDSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CSC[C@H]1C ZINC000651865230 411147628 /nfs/dbraw/zinc/14/76/28/411147628.db2.gz RDKCXAAOHKVTSR-OLZOCXBDSA-N 1 3 244.448 2.305 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C1CC(C)C1 ZINC000651865910 411147694 /nfs/dbraw/zinc/14/76/94/411147694.db2.gz MIVVTAVACOIUQY-UHFFFAOYSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)C[N@H+](C)CCCNC1CC(C)C1 ZINC000651865910 411147695 /nfs/dbraw/zinc/14/76/95/411147695.db2.gz MIVVTAVACOIUQY-UHFFFAOYSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)C[N@@H+](C)CCCNC1CC(C)C1 ZINC000651865910 411147696 /nfs/dbraw/zinc/14/76/96/411147696.db2.gz MIVVTAVACOIUQY-UHFFFAOYSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@H]1CCSC1 ZINC000651865995 411147750 /nfs/dbraw/zinc/14/77/50/411147750.db2.gz PSALBMVCDLESEM-CYBMUJFWSA-N 1 3 244.448 2.307 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H]1CCCSC1 ZINC000651866184 411147815 /nfs/dbraw/zinc/14/78/15/411147815.db2.gz XYJALLPHXGBNOT-ZDUSSCGKSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H]1CCCSC1 ZINC000651866184 411147816 /nfs/dbraw/zinc/14/78/16/411147816.db2.gz XYJALLPHXGBNOT-ZDUSSCGKSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H]1CCCSC1 ZINC000651866184 411147817 /nfs/dbraw/zinc/14/78/17/411147817.db2.gz XYJALLPHXGBNOT-ZDUSSCGKSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)CCN(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000111239054 411163959 /nfs/dbraw/zinc/16/39/59/411163959.db2.gz REJACYIQMQUKGZ-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO CC1([NH3+])CCN(CCC2CCCC2)CC1 ZINC000309507049 411156292 /nfs/dbraw/zinc/15/62/92/411156292.db2.gz WFMFYPBHTWVMMK-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2ccncc2)CC1 ZINC000110643841 411113257 /nfs/dbraw/zinc/11/32/57/411113257.db2.gz OOFAFFHNQDKINQ-VXGBXAGGSA-N 1 3 233.359 2.202 20 0 BEADHO CC[C@]1(C)CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000652192599 411168445 /nfs/dbraw/zinc/16/84/45/411168445.db2.gz GDEMGRBUIHOPFH-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO c1cc(C[NH2+]C2CCCC2)c2c(c1)CNCC2 ZINC000123913043 411180402 /nfs/dbraw/zinc/18/04/02/411180402.db2.gz UHTBDTXBGAIGBY-UHFFFAOYSA-N 1 3 230.355 2.365 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@H]1CCC[NH2+]CC1 ZINC000656193733 411199298 /nfs/dbraw/zinc/19/92/98/411199298.db2.gz QSLCSFGWEBBFLN-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCCNCC1 ZINC000656193733 411199301 /nfs/dbraw/zinc/19/93/01/411199301.db2.gz QSLCSFGWEBBFLN-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccncc1 ZINC000656197196 411203144 /nfs/dbraw/zinc/20/31/44/411203144.db2.gz MSSTVDNJGTXELP-XBFCOCLRSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000656197196 411203145 /nfs/dbraw/zinc/20/31/45/411203145.db2.gz MSSTVDNJGTXELP-XBFCOCLRSA-N 1 3 233.359 2.045 20 0 BEADHO COCCCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355022 411214451 /nfs/dbraw/zinc/21/44/51/411214451.db2.gz MYTHCFBWJZHZNO-KBPBESRZSA-N 1 3 242.407 2.252 20 0 BEADHO COCCCCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355022 411214455 /nfs/dbraw/zinc/21/44/55/411214455.db2.gz MYTHCFBWJZHZNO-KBPBESRZSA-N 1 3 242.407 2.252 20 0 BEADHO COCCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355025 411215273 /nfs/dbraw/zinc/21/52/73/411215273.db2.gz MYTHCFBWJZHZNO-ZIAGYGMSSA-N 1 3 242.407 2.252 20 0 BEADHO COCCCCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355025 411215274 /nfs/dbraw/zinc/21/52/74/411215274.db2.gz MYTHCFBWJZHZNO-ZIAGYGMSSA-N 1 3 242.407 2.252 20 0 BEADHO C[C@H]1CCC[N@H+](Cc2cccc(N)c2)[C@@H]1CCN ZINC000652356109 411215290 /nfs/dbraw/zinc/21/52/90/411215290.db2.gz SCDOEEXXZNIFLV-SWLSCSKDSA-N 1 3 247.386 2.218 20 0 BEADHO C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@@H]1CCN ZINC000652356109 411215292 /nfs/dbraw/zinc/21/52/92/411215292.db2.gz SCDOEEXXZNIFLV-SWLSCSKDSA-N 1 3 247.386 2.218 20 0 BEADHO Cc1nc([C@@H](C)N[C@@H](C)CCC[NH3+])cs1 ZINC000422883429 411233090 /nfs/dbraw/zinc/23/30/90/411233090.db2.gz BZNHQZSFVBYZER-DTWKUNHWSA-N 1 3 227.377 2.230 20 0 BEADHO COCCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCC1 ZINC000422884482 411233803 /nfs/dbraw/zinc/23/38/03/411233803.db2.gz DXKFNOUQVREURF-STQMWFEESA-N 1 3 242.407 2.299 20 0 BEADHO COCC[C@H](C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423173429 411236694 /nfs/dbraw/zinc/23/66/94/411236694.db2.gz YOQBHOOUKRDEHW-CQDKDKBSSA-N 1 3 248.370 2.393 20 0 BEADHO Cc1ccc(C[C@@H]([NH2+]CC2CNC2)C2CC2)cc1 ZINC000423306723 411237945 /nfs/dbraw/zinc/23/79/45/411237945.db2.gz UJYLOPMWJQFMBL-MRXNPFEDSA-N 1 3 244.382 2.125 20 0 BEADHO Cc1ccc(C[C@@H](NCC2C[NH2+]C2)C2CC2)cc1 ZINC000423306723 411237947 /nfs/dbraw/zinc/23/79/47/411237947.db2.gz UJYLOPMWJQFMBL-MRXNPFEDSA-N 1 3 244.382 2.125 20 0 BEADHO CC1(C)[C@@H](NCC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423306711 411238067 /nfs/dbraw/zinc/23/80/67/411238067.db2.gz UGPXSHLPFQSSGY-GJZGRUSLSA-N 1 3 244.382 2.378 20 0 BEADHO CC1(C)[C@@H]([NH2+]CC2CNC2)C[C@H]1c1ccccc1 ZINC000423306711 411238071 /nfs/dbraw/zinc/23/80/71/411238071.db2.gz UGPXSHLPFQSSGY-GJZGRUSLSA-N 1 3 244.382 2.378 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCc2ccoc2)[C@H](C)C1 ZINC000658202202 411291455 /nfs/dbraw/zinc/29/14/55/411291455.db2.gz VGODWZBLQMKEJB-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCc2ccoc2)[C@H](C)C1 ZINC000658202202 411291456 /nfs/dbraw/zinc/29/14/56/411291456.db2.gz VGODWZBLQMKEJB-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO c1cc(CCNC2CC[NH+](CC3CC3)CC2)co1 ZINC000658200537 411291547 /nfs/dbraw/zinc/29/15/47/411291547.db2.gz PSHJWZDXDHUFHW-UHFFFAOYSA-N 1 3 248.370 2.286 20 0 BEADHO C[NH+](C)C1CCN(CCC2CCC2)CC1 ZINC000659839327 411321650 /nfs/dbraw/zinc/32/16/50/411321650.db2.gz UVCJRDFWUOFRDL-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000656788008 411367540 /nfs/dbraw/zinc/36/75/40/411367540.db2.gz HYVASTXUDFQHRO-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000656788009 411368025 /nfs/dbraw/zinc/36/80/25/411368025.db2.gz HYVASTXUDFQHRO-RWMBFGLXSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)(N)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656792160 411372267 /nfs/dbraw/zinc/37/22/67/411372267.db2.gz OQCUVYDZBXVULE-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)(N)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656792160 411372269 /nfs/dbraw/zinc/37/22/69/411372269.db2.gz OQCUVYDZBXVULE-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000227204920 168153549 /nfs/dbraw/zinc/15/35/49/168153549.db2.gz CMCMKDNEIOXJQH-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227204920 168153551 /nfs/dbraw/zinc/15/35/51/168153551.db2.gz CMCMKDNEIOXJQH-GNRIBBGQSA-N 1 3 224.392 2.482 20 0 BEADHO Cc1cccnc1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404286480 411388977 /nfs/dbraw/zinc/38/89/77/411388977.db2.gz IFRGYDIYQKEJGH-UKRRQHHQSA-N 1 3 247.386 2.339 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404321810 411390940 /nfs/dbraw/zinc/39/09/40/411390940.db2.gz RFYCWGKIGNNWMX-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404321810 411390942 /nfs/dbraw/zinc/39/09/42/411390942.db2.gz RFYCWGKIGNNWMX-CHWSQXEVSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H]1C[C@@H]([NH2+]CCCN(CC)CC)CCO1 ZINC000070344709 411391652 /nfs/dbraw/zinc/39/16/52/411391652.db2.gz DJJDPTRXGMARQR-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCC(C)(C)CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566199 168275973 /nfs/dbraw/zinc/27/59/73/168275973.db2.gz XWDARNGXPADGLW-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CCC2)[C@@H]1CCN ZINC000404392556 411393190 /nfs/dbraw/zinc/39/31/90/411393190.db2.gz YWNJMKYYKWIFNA-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CCC2)[C@@H]1CCN ZINC000404392556 411393193 /nfs/dbraw/zinc/39/31/93/411393193.db2.gz YWNJMKYYKWIFNA-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+]CCCNC1CC1 ZINC000382552156 411408837 /nfs/dbraw/zinc/40/88/37/411408837.db2.gz WVLWICMIDJJFPW-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](Cc1cccs1)NCCC[NH2+]C1CC1 ZINC000382552156 411408840 /nfs/dbraw/zinc/40/88/40/411408840.db2.gz WVLWICMIDJJFPW-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO CN(C)c1cccc([C@H]2CCCN2CCC[NH3+])c1 ZINC000414705058 411441077 /nfs/dbraw/zinc/44/10/77/411441077.db2.gz NGIIABVTPOTMQP-OAHLLOKOSA-N 1 3 247.386 2.238 20 0 BEADHO C[C@H](CCc1cccc(F)c1)[NH2+]CC[C@H](C)N ZINC000414824671 411448846 /nfs/dbraw/zinc/44/88/46/411448846.db2.gz RFOWLTZWPSEECY-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](CCc1cccc(F)c1)NCC[C@H](C)[NH3+] ZINC000414824671 411448849 /nfs/dbraw/zinc/44/88/49/411448849.db2.gz RFOWLTZWPSEECY-NWDGAFQWSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](C[NH2+]C1CCNCC1)Cc1cccs1 ZINC000415089037 411490831 /nfs/dbraw/zinc/49/08/31/411490831.db2.gz XDFRKALVVPICBF-NSHDSACASA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](CNC1CC[NH2+]CC1)Cc1cccs1 ZINC000415089037 411490835 /nfs/dbraw/zinc/49/08/35/411490835.db2.gz XDFRKALVVPICBF-NSHDSACASA-N 1 3 238.400 2.268 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990232 411521569 /nfs/dbraw/zinc/52/15/69/411521569.db2.gz YYDFMZQWTGOARH-XQLPTFJDSA-N 1 3 236.403 2.306 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000659990232 411521571 /nfs/dbraw/zinc/52/15/71/411521571.db2.gz YYDFMZQWTGOARH-XQLPTFJDSA-N 1 3 236.403 2.306 20 0 BEADHO CCc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655826524 411529687 /nfs/dbraw/zinc/52/96/87/411529687.db2.gz HBMQWOKASNWKMC-TXEJJXNPSA-N 1 3 236.359 2.272 20 0 BEADHO CC(C)[NH2+]C1CCN(CC2CC=CC2)CC1 ZINC000660064566 411532294 /nfs/dbraw/zinc/53/22/94/411532294.db2.gz RORAVYARMZDPJG-UHFFFAOYSA-N 1 3 222.376 2.415 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000037643772 170007263 /nfs/dbraw/zinc/00/72/63/170007263.db2.gz XSLPMLYMGOCXFU-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000037643774 170008739 /nfs/dbraw/zinc/00/87/39/170008739.db2.gz BYAAHDAHARGDLY-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccnc2)C1 ZINC000249374144 170009072 /nfs/dbraw/zinc/00/90/72/170009072.db2.gz HHPYPQBUVMMREZ-OLZOCXBDSA-N 1 3 233.359 2.074 20 0 BEADHO CCN1CC[C@H](C[NH2+]CC2(SC)CCC2)C1 ZINC000304244739 170015478 /nfs/dbraw/zinc/01/54/78/170015478.db2.gz FIXLCYHQUOAEPO-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cncc(C)c2)C1 ZINC000184285016 170017490 /nfs/dbraw/zinc/01/74/90/170017490.db2.gz UQXLZRBTYBDKIQ-UONOGXRCSA-N 1 3 247.386 2.382 20 0 BEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@H](C)C1 ZINC000336779645 170021785 /nfs/dbraw/zinc/02/17/85/170021785.db2.gz PABRWJZNXNEKRN-GRYCIOLGSA-N 1 3 242.432 2.200 20 0 BEADHO CC[N@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@H](C)C1 ZINC000336779645 170021787 /nfs/dbraw/zinc/02/17/87/170021787.db2.gz PABRWJZNXNEKRN-GRYCIOLGSA-N 1 3 242.432 2.200 20 0 BEADHO CC[NH2+]CC1CCN(Cc2ncccc2C)CC1 ZINC000161839286 170111776 /nfs/dbraw/zinc/11/17/76/170111776.db2.gz HYPWPMCWIIZBRI-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO CC(C)(F)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657645276 411568608 /nfs/dbraw/zinc/56/86/08/411568608.db2.gz QEINEHCLXSVVHO-VXGBXAGGSA-N 1 3 228.355 2.341 20 0 BEADHO CC(C)(F)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657645276 411568610 /nfs/dbraw/zinc/56/86/10/411568610.db2.gz QEINEHCLXSVVHO-VXGBXAGGSA-N 1 3 228.355 2.341 20 0 BEADHO CC[N@@H+]1CCC[C@H]1CNc1nccc2[nH]ccc21 ZINC000663319911 411623843 /nfs/dbraw/zinc/62/38/43/411623843.db2.gz WFFYGQFOVYGEFS-NSHDSACASA-N 1 3 244.342 2.459 20 0 BEADHO CC[N@H+]1CCC[C@H]1CNc1nccc2[nH]ccc21 ZINC000663319911 411623847 /nfs/dbraw/zinc/62/38/47/411623847.db2.gz WFFYGQFOVYGEFS-NSHDSACASA-N 1 3 244.342 2.459 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663346263 411633435 /nfs/dbraw/zinc/63/34/35/411633435.db2.gz RUJBOCFBQVTNAD-GXTWGEPZSA-N 1 3 236.403 2.497 20 0 BEADHO Cc1cccc([C@H](C)N(C)CCC[NH3+])c1 ZINC000133229380 411661196 /nfs/dbraw/zinc/66/11/96/411661196.db2.gz HVCXCHZUDZNISP-LBPRGKRZSA-N 1 3 206.333 2.337 20 0 BEADHO CC[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663470544 411666311 /nfs/dbraw/zinc/66/63/11/411666311.db2.gz VBRVOMHKTWJRJU-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663470556 411668009 /nfs/dbraw/zinc/66/80/09/411668009.db2.gz VBRVOMHKTWJRJU-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663497534 411679479 /nfs/dbraw/zinc/67/94/79/411679479.db2.gz GYOFFOUOLLGJNO-PCKAHOCUSA-N 1 3 244.382 2.349 20 0 BEADHO C[C@]1(CN2CCC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499123 411681056 /nfs/dbraw/zinc/68/10/56/411681056.db2.gz ATONQDZBJMPTJG-GJZGRUSLSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@]1(CN2CCC[C@@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499124 411682034 /nfs/dbraw/zinc/68/20/34/411682034.db2.gz ATONQDZBJMPTJG-HUUCEWRRSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)CN3)C[C@H]1C ZINC000663498142 411682112 /nfs/dbraw/zinc/68/21/12/411682112.db2.gz MHYQOJRPTLDHSS-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000663498142 411682118 /nfs/dbraw/zinc/68/21/18/411682118.db2.gz MHYQOJRPTLDHSS-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC000663499670 411684324 /nfs/dbraw/zinc/68/43/24/411684324.db2.gz FVPLKIJJXREBHR-LKSINWNRSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000663499670 411684327 /nfs/dbraw/zinc/68/43/27/411684327.db2.gz FVPLKIJJXREBHR-LKSINWNRSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]1CCC[C@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000663501522 411686413 /nfs/dbraw/zinc/68/64/13/411686413.db2.gz XJXPHQPFQHGPPL-FEPKRQSRSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H]1CCC[C@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC000663501522 411686415 /nfs/dbraw/zinc/68/64/15/411686415.db2.gz XJXPHQPFQHGPPL-FEPKRQSRSA-N 1 3 222.376 2.154 20 0 BEADHO C[NH2+]C[C@@H](C)NCCCCOc1ccccc1 ZINC000663512277 411695303 /nfs/dbraw/zinc/69/53/03/411695303.db2.gz FZMVLBZWWVCBDE-CYBMUJFWSA-N 1 3 236.359 2.043 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)CCCC(F)(F)F ZINC000663514154 411695430 /nfs/dbraw/zinc/69/54/30/411695430.db2.gz NQQGLUZISGARKQ-BDAKNGLRSA-N 1 3 226.286 2.305 20 0 BEADHO c1cc2c(cc[nH+]c2NCCN2CC=CCC2)[nH]1 ZINC000663860777 411763528 /nfs/dbraw/zinc/76/35/28/411763528.db2.gz BVDSVIWZGNGMBZ-UHFFFAOYSA-N 1 3 242.326 2.237 20 0 BEADHO Cc1cnccc1N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000664455283 411963157 /nfs/dbraw/zinc/96/31/57/411963157.db2.gz WXKIRILFASHUQQ-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1c[nH+]ccc1N[C@@H](C)CN1CCC(C)CC1 ZINC000664455283 411963163 /nfs/dbraw/zinc/96/31/63/411963163.db2.gz WXKIRILFASHUQQ-AWEZNQCLSA-N 1 3 247.386 2.344 20 0 BEADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[NH2+]C)C1 ZINC000662244107 412038463 /nfs/dbraw/zinc/03/84/63/412038463.db2.gz BUEQYIWFVWSILS-QWRGUYRKSA-N 1 3 234.334 2.209 20 0 BEADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@H](CN)C1 ZINC000662247739 412045030 /nfs/dbraw/zinc/04/50/30/412045030.db2.gz ZOBYZJRQMOZNMJ-CHWSQXEVSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@H](CN)C1 ZINC000662247739 412045032 /nfs/dbraw/zinc/04/50/32/412045032.db2.gz ZOBYZJRQMOZNMJ-CHWSQXEVSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CN(CCCC2CCC2)CC[C@@H]1[NH3+] ZINC000662246981 412045090 /nfs/dbraw/zinc/04/50/90/412045090.db2.gz XOMQADSQKJIGDI-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CC=CC2)CC[C@H]1N ZINC000662270850 412062308 /nfs/dbraw/zinc/06/23/08/412062308.db2.gz PZZXQZTUMOPXIU-CHWSQXEVSA-N 1 3 208.349 2.012 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1N ZINC000662270850 412062310 /nfs/dbraw/zinc/06/23/10/412062310.db2.gz PZZXQZTUMOPXIU-CHWSQXEVSA-N 1 3 208.349 2.012 20 0 BEADHO C[C@H]1CCC[N@H+](CC2CC=CC2)[C@@H]1CCN ZINC000662285848 412077537 /nfs/dbraw/zinc/07/75/37/412077537.db2.gz NSCGGZTULOXDKW-GXTWGEPZSA-N 1 3 222.376 2.402 20 0 BEADHO C[C@H]1CCC[N@@H+](CC2CC=CC2)[C@@H]1CCN ZINC000662285848 412077539 /nfs/dbraw/zinc/07/75/39/412077539.db2.gz NSCGGZTULOXDKW-GXTWGEPZSA-N 1 3 222.376 2.402 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CC1CC=CC1)C2 ZINC000662286882 412078063 /nfs/dbraw/zinc/07/80/63/412078063.db2.gz SWLSGZXHYJWFJE-KBPBESRZSA-N 1 3 220.360 2.013 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1CC=CC1)C2 ZINC000662286882 412078066 /nfs/dbraw/zinc/07/80/66/412078066.db2.gz SWLSGZXHYJWFJE-KBPBESRZSA-N 1 3 220.360 2.013 20 0 BEADHO CC[C@H](C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335620315 171280541 /nfs/dbraw/zinc/28/05/41/171280541.db2.gz XHUTXWDLBGKIBQ-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121684902 171282748 /nfs/dbraw/zinc/28/27/48/171282748.db2.gz CDPFHFWLGWJEDL-UONOGXRCSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121684902 171282750 /nfs/dbraw/zinc/28/27/50/171282750.db2.gz CDPFHFWLGWJEDL-UONOGXRCSA-N 1 3 224.392 2.450 20 0 BEADHO CCC1(CC)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000662308679 412093279 /nfs/dbraw/zinc/09/32/79/412093279.db2.gz COGHRFQCJOYCAU-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1(CC)CCCN(CCC[NH2+]C)C1 ZINC000662309847 412094945 /nfs/dbraw/zinc/09/49/45/412094945.db2.gz OFOSKPDTXVXMJG-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CCC1(CC)CCC[N@H+](CCCNC)C1 ZINC000662309847 412094948 /nfs/dbraw/zinc/09/49/48/412094948.db2.gz OFOSKPDTXVXMJG-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CCC1(CC)CCC[N@@H+](CCCNC)C1 ZINC000662309847 412094951 /nfs/dbraw/zinc/09/49/51/412094951.db2.gz OFOSKPDTXVXMJG-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662317799 412097617 /nfs/dbraw/zinc/09/76/17/412097617.db2.gz SRCKECZRBKKNOH-TZMCWYRMSA-N 1 3 222.376 2.108 20 0 BEADHO CCC[C@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322524 412100201 /nfs/dbraw/zinc/10/02/01/412100201.db2.gz ILIBASPUKWGJOT-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000665242749 412186752 /nfs/dbraw/zinc/18/67/52/412186752.db2.gz JHDLNWFINJHWCL-YNEHKIRRSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244831 412188498 /nfs/dbraw/zinc/18/84/98/412188498.db2.gz XREQVDRTOWQVCE-MCYUEQNJSA-N 1 3 232.371 2.430 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244831 412188504 /nfs/dbraw/zinc/18/85/04/412188504.db2.gz XREQVDRTOWQVCE-MCYUEQNJSA-N 1 3 232.371 2.430 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCCC1)c1cccc(CO)c1 ZINC000665247919 412193645 /nfs/dbraw/zinc/19/36/45/412193645.db2.gz LTSQFHAHFXMOOS-LBPRGKRZSA-N 1 3 248.370 2.101 20 0 BEADHO CC(C)(F)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000665261682 412203294 /nfs/dbraw/zinc/20/32/94/412203294.db2.gz JJTQZOQETHYUIR-QWRGUYRKSA-N 1 3 216.344 2.232 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)F ZINC000665261540 412204433 /nfs/dbraw/zinc/20/44/33/412204433.db2.gz FNNYICOOCBCHCO-WDEREUQCSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261539 412204858 /nfs/dbraw/zinc/20/48/58/412204858.db2.gz FNNYICOOCBCHCO-QWRGUYRKSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000665263050 412205283 /nfs/dbraw/zinc/20/52/83/412205283.db2.gz FDRATALTNLTQEE-YHQUGGNUSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCN1 ZINC000665263050 412205287 /nfs/dbraw/zinc/20/52/87/412205287.db2.gz FDRATALTNLTQEE-YHQUGGNUSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000665263138 412205695 /nfs/dbraw/zinc/20/56/95/412205695.db2.gz GRTOIHAKMMHOSB-PJSNJIKXSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267356 412209918 /nfs/dbraw/zinc/20/99/18/412209918.db2.gz VIBWSGRADVGMQZ-GMTAPVOTSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@]1(C)CC1(F)F ZINC000665267356 412209922 /nfs/dbraw/zinc/20/99/22/412209922.db2.gz VIBWSGRADVGMQZ-GMTAPVOTSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266914 412210097 /nfs/dbraw/zinc/21/00/97/412210097.db2.gz LTQLQQNPADMTMK-IVZWLZJFSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1(F)F ZINC000665266857 412210320 /nfs/dbraw/zinc/21/03/20/412210320.db2.gz KXFMJNLRLAOIBK-MXWKQRLJSA-N 1 3 232.318 2.281 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1=CCCC1 ZINC000665273871 412215575 /nfs/dbraw/zinc/21/55/75/412215575.db2.gz FZLFKNMVHLDKMU-DGCLKSJQSA-N 1 3 208.349 2.074 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1=CCCC1 ZINC000665273871 412215578 /nfs/dbraw/zinc/21/55/78/412215578.db2.gz FZLFKNMVHLDKMU-DGCLKSJQSA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)c1ccccn1 ZINC000665232383 412170557 /nfs/dbraw/zinc/17/05/57/412170557.db2.gz MBXAMWFBBYHHHM-IPYPFGDCSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)c1ccccn1 ZINC000665232902 412171594 /nfs/dbraw/zinc/17/15/94/412171594.db2.gz XJYANQPOBIAIPY-GUTXKFCHSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)c1ccccn1 ZINC000665232902 412171598 /nfs/dbraw/zinc/17/15/98/412171598.db2.gz XJYANQPOBIAIPY-GUTXKFCHSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1=CCCC1 ZINC000665273870 412216208 /nfs/dbraw/zinc/21/62/08/412216208.db2.gz FZLFKNMVHLDKMU-AAEUAGOBSA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000665273870 412216210 /nfs/dbraw/zinc/21/62/10/412216210.db2.gz FZLFKNMVHLDKMU-AAEUAGOBSA-N 1 3 208.349 2.074 20 0 BEADHO CCC(C)(C)[C@@H](C)NCC12CC(C1)C[NH2+]2 ZINC000665279668 412222647 /nfs/dbraw/zinc/22/26/47/412222647.db2.gz JDAIAXJKIAXMBI-XSRFYTQQSA-N 1 3 210.365 2.153 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665279668 412222650 /nfs/dbraw/zinc/22/26/50/412222650.db2.gz JDAIAXJKIAXMBI-XSRFYTQQSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C(C)C ZINC000665279870 412223627 /nfs/dbraw/zinc/22/36/27/412223627.db2.gz NWPFVDHAINALBO-VXGBXAGGSA-N 1 3 200.370 2.384 20 0 BEADHO C([NH2+][C@H](C1CC1)C1CCCC1)C12CC(C1)CN2 ZINC000665279871 412223752 /nfs/dbraw/zinc/22/37/52/412223752.db2.gz NZDGKCBVNHNCMD-WPBUFGDCSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@H](C1CC1)C1CCCC1)C12CC(C1)C[NH2+]2 ZINC000665279871 412223753 /nfs/dbraw/zinc/22/37/53/412223753.db2.gz NZDGKCBVNHNCMD-WPBUFGDCSA-N 1 3 234.387 2.297 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000665282083 412225958 /nfs/dbraw/zinc/22/59/58/412225958.db2.gz QJFHUQAWZXLAMJ-IJLUTSLNSA-N 1 3 212.381 2.384 20 0 BEADHO C[NH2+]C[C@@H](C)NC1CCC(C(F)F)CC1 ZINC000665298561 412245728 /nfs/dbraw/zinc/24/57/28/412245728.db2.gz YHAYLSWVDRSTCY-XNWIYYODSA-N 1 3 220.307 2.008 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H](C)CCC(C)(C)C ZINC000665298430 412246623 /nfs/dbraw/zinc/24/66/23/412246623.db2.gz VXONITORHYNHEC-QWRGUYRKSA-N 1 3 200.370 2.399 20 0 BEADHO C[N@H+]1CC=C(CNCc2ccsc2)CC1 ZINC000271928756 172979086 /nfs/dbraw/zinc/97/90/86/172979086.db2.gz VZBLDZGIBRZIKG-UHFFFAOYSA-N 1 3 222.357 2.100 20 0 BEADHO C[N@@H+]1CC=C(CNCc2ccsc2)CC1 ZINC000271928756 172979089 /nfs/dbraw/zinc/97/90/89/172979089.db2.gz VZBLDZGIBRZIKG-UHFFFAOYSA-N 1 3 222.357 2.100 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2CCCC[C@H]21 ZINC000368083831 173029398 /nfs/dbraw/zinc/02/93/98/173029398.db2.gz OQPIICOSEABOCN-MGPQQGTHSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2CCCC[C@H]21 ZINC000368083831 173029400 /nfs/dbraw/zinc/02/94/00/173029400.db2.gz OQPIICOSEABOCN-MGPQQGTHSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000367158589 173036273 /nfs/dbraw/zinc/03/62/73/173036273.db2.gz TVEVJMHEDBUNRN-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000367158589 173036275 /nfs/dbraw/zinc/03/62/75/173036275.db2.gz TVEVJMHEDBUNRN-OLZOCXBDSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1C[C@H]2CCCC[C@H]21 ZINC000368083830 173052180 /nfs/dbraw/zinc/05/21/80/173052180.db2.gz OQPIICOSEABOCN-HZSPNIEDSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1C[C@H]2CCCC[C@H]21 ZINC000368083830 173052182 /nfs/dbraw/zinc/05/21/82/173052182.db2.gz OQPIICOSEABOCN-HZSPNIEDSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@@H+]1CC[C@@]2(CCN(CCCCCF)C2)C1 ZINC000366495525 173137889 /nfs/dbraw/zinc/13/78/89/173137889.db2.gz GUOBPGGUJDLJRQ-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO C[N@H+]1CC[C@@]2(CCN(CCCCCF)C2)C1 ZINC000366495525 173137892 /nfs/dbraw/zinc/13/78/92/173137892.db2.gz GUOBPGGUJDLJRQ-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO CN1CC[C@H]([NH2+]Cc2cccnc2)[C@@H]2CCC[C@H]21 ZINC000367620692 173152946 /nfs/dbraw/zinc/15/29/46/173152946.db2.gz QUGOVTIOUXRJRX-SOUVJXGZSA-N 1 3 245.370 2.044 20 0 BEADHO C[NH2+]CC1CCN([C@H](C)c2cccnc2)CC1 ZINC000063158785 173338875 /nfs/dbraw/zinc/33/88/75/173338875.db2.gz UZYXYCNZSDXXSM-GFCCVEGCSA-N 1 3 233.359 2.074 20 0 BEADHO C[NH2+]CC1CCN(Cc2ccccc2OC)CC1 ZINC000011889183 173338889 /nfs/dbraw/zinc/33/88/89/173338889.db2.gz FGBCEMKKYWIOGG-UHFFFAOYSA-N 1 3 248.370 2.127 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011888791 173368168 /nfs/dbraw/zinc/36/81/68/173368168.db2.gz DLAVNDLZWDBEPM-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO CNC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000053031002 173369539 /nfs/dbraw/zinc/36/95/39/173369539.db2.gz ROSJLRYLMQUSBK-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000053031002 173369541 /nfs/dbraw/zinc/36/95/41/173369541.db2.gz ROSJLRYLMQUSBK-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCC2CCCCC2)C1 ZINC000053031468 173369560 /nfs/dbraw/zinc/36/95/60/173369560.db2.gz BJHMGBUIMXUZRL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000053031468 173369561 /nfs/dbraw/zinc/36/95/61/173369561.db2.gz BJHMGBUIMXUZRL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000053031468 173369562 /nfs/dbraw/zinc/36/95/62/173369562.db2.gz BJHMGBUIMXUZRL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[NH2+]C[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000053012240 173381442 /nfs/dbraw/zinc/38/14/42/173381442.db2.gz LZWHOWKJRAMZKN-CHWSQXEVSA-N 1 3 218.344 2.289 20 0 BEADHO C[NH2+]C[C@H]1CCN(Cc2ccccc2C)C1 ZINC000011891901 173382223 /nfs/dbraw/zinc/38/22/23/173382223.db2.gz INFDTSFOQHMDRF-CYBMUJFWSA-N 1 3 218.344 2.036 20 0 BEADHO COC1(CNCCC[N@H+](C)C(C)C)CCCC1 ZINC000319380756 174000679 /nfs/dbraw/zinc/00/06/79/174000679.db2.gz CJGZTPMYANLBNB-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO COC1(CNCCC[N@@H+](C)C(C)C)CCCC1 ZINC000319380756 174000681 /nfs/dbraw/zinc/00/06/81/174000681.db2.gz CJGZTPMYANLBNB-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO COC1(C[NH2+]CCCN(C)C(C)C)CCCC1 ZINC000319380756 174000682 /nfs/dbraw/zinc/00/06/82/174000682.db2.gz CJGZTPMYANLBNB-UHFFFAOYSA-N 1 3 242.407 2.266 20 0 BEADHO COCCC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000309450772 174263074 /nfs/dbraw/zinc/26/30/74/174263074.db2.gz LBPZJGPMESWYDS-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1F ZINC000310540336 175177190 /nfs/dbraw/zinc/17/71/90/175177190.db2.gz SJWOBOJQRKOYRD-NXEZZACHSA-N 1 3 240.322 2.080 20 0 BEADHO COc1ccc([C@H](C)[NH2+]C2CCNCC2)cc1 ZINC000090339616 175188322 /nfs/dbraw/zinc/18/83/22/175188322.db2.gz XDUZUVNRQVBGMJ-NSHDSACASA-N 1 3 234.343 2.098 20 0 BEADHO COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000090339648 175189763 /nfs/dbraw/zinc/18/97/63/175189763.db2.gz IVPAUBUHIADKKF-NJZAAPMLSA-N 1 3 248.370 2.473 20 0 BEADHO COc1ccc2nccc(NCC[NH+](C)C)c2c1 ZINC000005688935 175230122 /nfs/dbraw/zinc/23/01/22/175230122.db2.gz BZSIDXIVBGHQHP-UHFFFAOYSA-N 1 3 245.326 2.217 20 0 in-man BEADHO COc1cccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000042427616 175257815 /nfs/dbraw/zinc/25/78/15/175257815.db2.gz CHHLPQWZQQSCBF-UHFFFAOYSA-N 1 3 248.370 2.256 20 0 BEADHO COc1cccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000148222724 175293581 /nfs/dbraw/zinc/29/35/81/175293581.db2.gz ADQABIYVQWQTQO-CORIIIEPSA-N 1 3 248.370 2.473 20 0 BEADHO COc1ccccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000104436292 175325655 /nfs/dbraw/zinc/32/56/55/175325655.db2.gz KEHKQXOKYCRUHA-GFCCVEGCSA-N 1 3 248.370 2.254 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc(C(F)F)cc1 ZINC000556932328 322931430 /nfs/dbraw/zinc/93/14/30/322931430.db2.gz XRQARNSNBMHOIG-SECBINFHSA-N 1 3 228.286 2.451 20 0 BEADHO C[C@@H]1CCCCN1CCC[NH2+]CC1CC1 ZINC000037118284 176071411 /nfs/dbraw/zinc/07/14/11/176071411.db2.gz HPYDKFSJZGFPJY-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607812 176088632 /nfs/dbraw/zinc/08/86/32/176088632.db2.gz HVBMYMZDXBTGKI-TZMCWYRMSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCCCF)C[C@H]1CN ZINC000336695477 176168709 /nfs/dbraw/zinc/16/87/09/176168709.db2.gz NWIANVCSFZTACX-VXGBXAGGSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@@H]1CCN(CCCCCF)C[C@H]1C[NH3+] ZINC000336695477 176168710 /nfs/dbraw/zinc/16/87/10/176168710.db2.gz NWIANVCSFZTACX-VXGBXAGGSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@@H]1CC[N@H+](CCCCCF)C[C@H]1CN ZINC000336695477 176168707 /nfs/dbraw/zinc/16/87/07/176168707.db2.gz NWIANVCSFZTACX-VXGBXAGGSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000228981531 176233392 /nfs/dbraw/zinc/23/33/92/176233392.db2.gz GKFHYUGQQKIDFD-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccco1 ZINC000036908629 176279316 /nfs/dbraw/zinc/27/93/16/176279316.db2.gz WUWZQZXYEXMLPH-YRGRVCCFSA-N 1 3 236.359 2.140 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccco1 ZINC000036908629 176279318 /nfs/dbraw/zinc/27/93/18/176279318.db2.gz WUWZQZXYEXMLPH-YRGRVCCFSA-N 1 3 236.359 2.140 20 0 BEADHO C[C@@H]1C[N@H+](CCC2CCCC2)CC[C@@H]1N ZINC000049713033 176288538 /nfs/dbraw/zinc/28/85/38/176288538.db2.gz VQPPCRBHGUAXFG-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[N@@H+](CCC2CCCC2)CC[C@@H]1N ZINC000049713033 176288539 /nfs/dbraw/zinc/28/85/39/176288539.db2.gz VQPPCRBHGUAXFG-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CN(CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000049713033 176288540 /nfs/dbraw/zinc/28/85/40/176288540.db2.gz VQPPCRBHGUAXFG-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccnc2ccccc21 ZINC000216234788 176368938 /nfs/dbraw/zinc/36/89/38/176368938.db2.gz UCJQQOSKTCHTGQ-NEPJUHHUSA-N 1 3 241.338 2.408 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCc1ccccc1 ZINC000049708925 176372088 /nfs/dbraw/zinc/37/20/88/176372088.db2.gz NSBXMYHTQVVHAT-OCCSQVGLSA-N 1 3 218.344 2.041 20 0 BEADHO C[C@@H]1C[C@@H]1CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000235276716 176397172 /nfs/dbraw/zinc/39/71/72/176397172.db2.gz BVHUYVIEEDFQMW-UTUOFQBUSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125341321 177046712 /nfs/dbraw/zinc/04/67/12/177046712.db2.gz NGDLLRXNSMOKIJ-BEAPCOKYSA-N 1 3 245.370 2.202 20 0 BEADHO C[C@H]1CCCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607810 177083066 /nfs/dbraw/zinc/08/30/66/177083066.db2.gz HVBMYMZDXBTGKI-JSGCOSHPSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@H]1CCCC[C@H]1C[NH+]1CCC(N)CC1 ZINC000042864227 177085242 /nfs/dbraw/zinc/08/52/42/177085242.db2.gz MSOIOGBQIGFUAE-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCCC[C@H]1CN1CCC([NH3+])CC1 ZINC000042864227 177085243 /nfs/dbraw/zinc/08/52/43/177085243.db2.gz MSOIOGBQIGFUAE-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CCC[C@H]([NH2+]C2CCNCC2)CC1 ZINC000235602739 177136287 /nfs/dbraw/zinc/13/62/87/177136287.db2.gz ULBIUFNMPDAOQF-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c(c1)CCC2 ZINC000131760597 177324487 /nfs/dbraw/zinc/32/44/87/177324487.db2.gz OXGZFWVRIBTNJD-JSGCOSHPSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CCCCC1 ZINC000049710735 177326819 /nfs/dbraw/zinc/32/68/19/177326819.db2.gz NFMMOBFVRUZEOH-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CCCCC1 ZINC000049710735 177326821 /nfs/dbraw/zinc/32/68/21/177326821.db2.gz NFMMOBFVRUZEOH-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CCCCC1 ZINC000049710735 177326823 /nfs/dbraw/zinc/32/68/23/177326823.db2.gz NFMMOBFVRUZEOH-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CCN1CCCc1ccccc1 ZINC000049713022 177365375 /nfs/dbraw/zinc/36/53/75/177365375.db2.gz MTTCZJGUWUHMSE-DZGCQCFKSA-N 1 3 232.371 2.431 20 0 BEADHO C[C@H]1CCC[C@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000479767288 225192777 /nfs/dbraw/zinc/19/27/77/225192777.db2.gz AUVFLLAFSVICSF-LJISPDSOSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000488358712 225387395 /nfs/dbraw/zinc/38/73/95/225387395.db2.gz XZNGOGZDKFIUBI-ILXRZTDVSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000488358712 225387398 /nfs/dbraw/zinc/38/73/98/225387398.db2.gz XZNGOGZDKFIUBI-ILXRZTDVSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000488358712 225387402 /nfs/dbraw/zinc/38/74/02/225387402.db2.gz XZNGOGZDKFIUBI-ILXRZTDVSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@H]1C[C@@H]1C[NH+]1CCC(N2CCCC2)CC1 ZINC000488310163 225367281 /nfs/dbraw/zinc/36/72/81/225367281.db2.gz PQCORMYVNHRIFI-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CCN(C[C@H](O)C[N@H+](C)C(C)C)CC(C)(C)C ZINC000383610856 487647682 /nfs/dbraw/zinc/64/76/82/487647682.db2.gz SPCKFJQWGSOIEF-CYBMUJFWSA-N 1 3 244.423 2.056 20 0 BEADHO CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC(C)(C)C ZINC000383610856 487647685 /nfs/dbraw/zinc/64/76/85/487647685.db2.gz SPCKFJQWGSOIEF-CYBMUJFWSA-N 1 3 244.423 2.056 20 0 BEADHO COCC(C)(C)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000494080720 226260523 /nfs/dbraw/zinc/26/05/23/226260523.db2.gz VJLNAFWSTOVKIU-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO C(C[NH2+]C[C@H]1CCSC1)CN1CCCCC1 ZINC000163629914 262747337 /nfs/dbraw/zinc/74/73/37/262747337.db2.gz UGGZMXXAOLMDPI-CYBMUJFWSA-N 1 3 242.432 2.205 20 0 BEADHO [NH3+]C[C@@H]1CN(CCCF)C[C@H]1c1ccccc1 ZINC000305997012 229387424 /nfs/dbraw/zinc/38/74/24/229387424.db2.gz IBLYGQWNXDIKRZ-KGLIPLIRSA-N 1 3 236.334 2.020 20 0 BEADHO NC[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1 ZINC000305997012 229387429 /nfs/dbraw/zinc/38/74/29/229387429.db2.gz IBLYGQWNXDIKRZ-KGLIPLIRSA-N 1 3 236.334 2.020 20 0 BEADHO NC[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1 ZINC000305997012 229387432 /nfs/dbraw/zinc/38/74/32/229387432.db2.gz IBLYGQWNXDIKRZ-KGLIPLIRSA-N 1 3 236.334 2.020 20 0 BEADHO CC(C)=CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000397883438 262939087 /nfs/dbraw/zinc/93/90/87/262939087.db2.gz PAENZUPQOJKEAF-STQMWFEESA-N 1 3 210.365 2.450 20 0 BEADHO CCC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000233279657 487704135 /nfs/dbraw/zinc/70/41/35/487704135.db2.gz IDVMMLVBKMBHLU-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO Oc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000035054302 487708916 /nfs/dbraw/zinc/70/89/16/487708916.db2.gz PRIGGOKOHGRIAY-UHFFFAOYSA-N 1 3 246.354 2.109 20 0 BEADHO C[C@@H](C[NH+]1CCC(C)(N)CC1)C(C)(C)C ZINC000309739893 487723091 /nfs/dbraw/zinc/72/30/91/487723091.db2.gz DCCJXSGKEKZVHR-NSHDSACASA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@@]1(C)CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000379462401 487734551 /nfs/dbraw/zinc/73/45/51/487734551.db2.gz UKWLVJVPNUJENT-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233745028 487738975 /nfs/dbraw/zinc/73/89/75/487738975.db2.gz MGGQGSVJZRPOFW-JHJVBQTASA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414961353 487778301 /nfs/dbraw/zinc/77/83/01/487778301.db2.gz YWLCPXKLBXVHKY-YNEHKIRRSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+]CCCN1CCCCC[C@@H]1c1ccncc1 ZINC000414671210 487817303 /nfs/dbraw/zinc/81/73/03/487817303.db2.gz NJYRXTJMEMADEO-CQSZACIVSA-N 1 3 233.359 2.348 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@H](N)C[C@H]1C)C(C)(C)C ZINC000252152307 487819129 /nfs/dbraw/zinc/81/91/29/487819129.db2.gz OSQMGWAKOYHMCE-TUAOUCFPSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@H](N)C[C@H]1C)C(C)(C)C ZINC000252152307 487819134 /nfs/dbraw/zinc/81/91/34/487819134.db2.gz OSQMGWAKOYHMCE-TUAOUCFPSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@H](N)C[C@H]1C)C(C)(C)C ZINC000252152306 487819308 /nfs/dbraw/zinc/81/93/08/487819308.db2.gz OSQMGWAKOYHMCE-QJPTWQEYSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@H](N)C[C@H]1C)C(C)(C)C ZINC000252152306 487819314 /nfs/dbraw/zinc/81/93/14/487819314.db2.gz OSQMGWAKOYHMCE-QJPTWQEYSA-N 1 3 212.381 2.480 20 0 BEADHO CC[N@H+](CCCN)[C@H](C)Cc1ccsc1 ZINC000414759525 487823138 /nfs/dbraw/zinc/82/31/38/487823138.db2.gz OQECBDWIVNABMI-LLVKDONJSA-N 1 3 226.389 2.350 20 0 BEADHO CC[N@@H+](CCCN)[C@H](C)Cc1ccsc1 ZINC000414759525 487823144 /nfs/dbraw/zinc/82/31/44/487823144.db2.gz OQECBDWIVNABMI-LLVKDONJSA-N 1 3 226.389 2.350 20 0 BEADHO CC[C@@H](CNCCC[NH3+])Oc1ccccc1C ZINC000415074998 487835887 /nfs/dbraw/zinc/83/58/87/487835887.db2.gz DNOBIRUJYGBBPY-ZDUSSCGKSA-N 1 3 236.359 2.091 20 0 BEADHO CC(C)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000109454541 487866684 /nfs/dbraw/zinc/86/66/84/487866684.db2.gz ILEUZGUOURLIAU-UHFFFAOYSA-N 1 3 210.365 2.249 20 0 BEADHO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000128571049 487874172 /nfs/dbraw/zinc/87/41/72/487874172.db2.gz HZQXYCXIUNJGBC-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)C[C@@H](C)CNC[C@@H]1CCCC[NH2+]1 ZINC000666770543 487877016 /nfs/dbraw/zinc/87/70/16/487877016.db2.gz IKEQDHPSAHMUGU-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO COCCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 ZINC000666853121 487890811 /nfs/dbraw/zinc/89/08/11/487890811.db2.gz MXKPQFPIBHHGQE-QWHCGFSZSA-N 1 3 240.391 2.053 20 0 BEADHO COCCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 ZINC000666853120 487891069 /nfs/dbraw/zinc/89/10/69/487891069.db2.gz MXKPQFPIBHHGQE-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCCNCC1 ZINC000666858014 487891734 /nfs/dbraw/zinc/89/17/34/487891734.db2.gz SVUPTBDQLGHCMX-NXEZZACHSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)C(C)(C)C ZINC000666874265 487895321 /nfs/dbraw/zinc/89/53/21/487895321.db2.gz VZACDGQTFBRLQF-UTUOFQBUSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cccc2cnccc21 ZINC000666910417 487901925 /nfs/dbraw/zinc/90/19/25/487901925.db2.gz FZWZZSGDYUTFLJ-ZDUSSCGKSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000666993712 487901937 /nfs/dbraw/zinc/90/19/37/487901937.db2.gz GCICGJIIJAOKGT-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C[NH2+][C@H]2CCNC3(CCC3)C2)CC1 ZINC000666993839 487923501 /nfs/dbraw/zinc/92/35/01/487923501.db2.gz NTTGLDXBIZLQSV-NSHDSACASA-N 1 3 208.349 2.051 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995622 487925361 /nfs/dbraw/zinc/92/53/61/487925361.db2.gz UJYWVKGVSCKPLI-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CCC([NH3+])(CC)CN[C@@H]1CCC12CCOCC2 ZINC000562955746 323034892 /nfs/dbraw/zinc/03/48/92/323034892.db2.gz KMSQQBUOVBVNOA-GFCCVEGCSA-N 1 3 240.391 2.053 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000571037875 323104438 /nfs/dbraw/zinc/10/44/38/323104438.db2.gz KTGCXCMSAXKKCJ-BXUZGUMPSA-N 1 3 248.370 2.400 20 0 BEADHO Cc1cc(C[NH2+]C[C@H](N)C2CC2)c(C)s1 ZINC000563415421 323123441 /nfs/dbraw/zinc/12/34/41/323123441.db2.gz XLQJOSICBPZIMX-LBPRGKRZSA-N 1 3 224.373 2.192 20 0 BEADHO Cc1cc(C[NH2+]C[C@@H](N)C2CC2)c(C)s1 ZINC000563415414 323123495 /nfs/dbraw/zinc/12/34/95/323123495.db2.gz XLQJOSICBPZIMX-GFCCVEGCSA-N 1 3 224.373 2.192 20 0 BEADHO CC[C@@H]([NH2+]CCCNC(C)C)C(C)C ZINC000571394854 323143331 /nfs/dbraw/zinc/14/33/31/323143331.db2.gz QNVNAKSUHUZXRC-GFCCVEGCSA-N 1 3 200.370 2.399 20 0 BEADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc(C)n1 ZINC000571462089 323145428 /nfs/dbraw/zinc/14/54/28/323145428.db2.gz PIBSKGOGBVGHSO-UONOGXRCSA-N 1 3 233.359 2.058 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1ccnc2ccccc12 ZINC000571504663 323146121 /nfs/dbraw/zinc/14/61/21/323146121.db2.gz VIARQNVKJUNYCH-CQSZACIVSA-N 1 3 243.354 2.308 20 0 BEADHO Cc1ccc(CCCN[C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000414960164 323152303 /nfs/dbraw/zinc/15/23/03/323152303.db2.gz ULZQDYWNRPUHPO-ZFWWWQNUSA-N 1 3 247.386 2.053 20 0 BEADHO C(CC1CCCCC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000395115360 323187571 /nfs/dbraw/zinc/18/75/71/323187571.db2.gz IREDKDHZTHIYSU-GASCZTMLSA-N 1 3 236.403 2.498 20 0 BEADHO CCC[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])OCC ZINC000530212961 323216524 /nfs/dbraw/zinc/21/65/24/323216524.db2.gz SHMQOPDYGWYGKS-RDBSUJKOSA-N 1 3 242.407 2.441 20 0 BEADHO CC[C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530221205 323218451 /nfs/dbraw/zinc/21/84/51/323218451.db2.gz OTNSCSGUROBYFI-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530221205 323218453 /nfs/dbraw/zinc/21/84/53/323218453.db2.gz OTNSCSGUROBYFI-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000530225310 323219045 /nfs/dbraw/zinc/21/90/45/323219045.db2.gz VNGCNHGMVONRSI-ZYHUDNBSSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225310 323219049 /nfs/dbraw/zinc/21/90/49/323219049.db2.gz VNGCNHGMVONRSI-ZYHUDNBSSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CC(C)(C)C1 ZINC000530225310 323219050 /nfs/dbraw/zinc/21/90/50/323219050.db2.gz VNGCNHGMVONRSI-ZYHUDNBSSA-N 1 3 210.365 2.234 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530225905 323219069 /nfs/dbraw/zinc/21/90/69/323219069.db2.gz XZJLQYZVELGMEI-STQMWFEESA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530225905 323219071 /nfs/dbraw/zinc/21/90/71/323219071.db2.gz XZJLQYZVELGMEI-STQMWFEESA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCCC2)C[C@@H]1CN ZINC000397331359 324212177 /nfs/dbraw/zinc/21/21/77/324212177.db2.gz RBIVBSCRVIAOEI-BZPMIXESSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCCC2)C[C@@H]1CN ZINC000397331359 324212180 /nfs/dbraw/zinc/21/21/80/324212180.db2.gz RBIVBSCRVIAOEI-BZPMIXESSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCCNCC1 ZINC000398105718 324217819 /nfs/dbraw/zinc/21/78/19/324217819.db2.gz VNABIGHLEMQGTR-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)OCC ZINC000530214338 324530454 /nfs/dbraw/zinc/53/04/54/324530454.db2.gz XXNLDLBVCMBSHV-RWMBFGLXSA-N 1 3 228.380 2.051 20 0 BEADHO CC(C)Oc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000066147957 324737949 /nfs/dbraw/zinc/73/79/49/324737949.db2.gz UFZKVGPTUVZZOY-LBPRGKRZSA-N 1 3 236.359 2.301 20 0 BEADHO CCCC[NH+]1CCC(N[C@H](C)COCC)CC1 ZINC000130018660 325004681 /nfs/dbraw/zinc/00/46/81/325004681.db2.gz JPIIFRVUSTWKMG-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000566483156 326056445 /nfs/dbraw/zinc/05/64/45/326056445.db2.gz ZHFNKSSXVBBWHK-GXSJLCMTSA-N 1 3 232.318 2.424 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000566630582 326070673 /nfs/dbraw/zinc/07/06/73/326070673.db2.gz XLBWRYQSSDPHKZ-MROQNXINSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Oc1ccccc1 ZINC000567249496 326150740 /nfs/dbraw/zinc/15/07/40/326150740.db2.gz ICYIUSVSDIRJMI-MCIONIFRSA-N 1 3 248.370 2.313 20 0 BEADHO CC[C@@H](COC)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000157358276 326270096 /nfs/dbraw/zinc/27/00/96/326270096.db2.gz BJYBONJCNPBWMI-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](COC)NCC[C@H](C)[NH+]1CCCCC1 ZINC000157358276 326270098 /nfs/dbraw/zinc/27/00/98/326270098.db2.gz BJYBONJCNPBWMI-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cn1 ZINC000567889955 326277002 /nfs/dbraw/zinc/27/70/02/326277002.db2.gz OPVDTGUHLRFPOT-HUUCEWRRSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cn1 ZINC000567889953 326277027 /nfs/dbraw/zinc/27/70/27/326277027.db2.gz OPVDTGUHLRFPOT-CABCVRRESA-N 1 3 247.386 2.040 20 0 BEADHO C[NH+](C)CCCCNCc1ccc2c(n1)CCC2 ZINC000568966271 326383956 /nfs/dbraw/zinc/38/39/56/326383956.db2.gz VPWZVTBCXPVHCG-UHFFFAOYSA-N 1 3 247.386 2.002 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3O)C1 ZINC000573107549 326430085 /nfs/dbraw/zinc/43/00/85/326430085.db2.gz XRUMUZVHYPKKKG-JTNHKYCSSA-N 1 3 246.354 2.239 20 0 BEADHO c1ccc2c(c1)nccc2N[C@@H]1CC[NH2+]C1 ZINC000052094010 487973696 /nfs/dbraw/zinc/97/36/96/487973696.db2.gz HBFJSDBVMBKXLQ-SNVBAGLBSA-N 1 3 213.284 2.009 20 0 BEADHO CNCCC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000388685207 488052484 /nfs/dbraw/zinc/05/24/84/488052484.db2.gz KHXOSIPEJALIRE-NSHDSACASA-N 1 3 200.370 2.210 20 0 BEADHO CNCCC[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000388685207 488052491 /nfs/dbraw/zinc/05/24/91/488052491.db2.gz KHXOSIPEJALIRE-NSHDSACASA-N 1 3 200.370 2.210 20 0 BEADHO C[NH2+]CCCN(C)C[C@H](C)C(C)(C)C ZINC000388685207 488052496 /nfs/dbraw/zinc/05/24/96/488052496.db2.gz KHXOSIPEJALIRE-NSHDSACASA-N 1 3 200.370 2.210 20 0 BEADHO CC[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1N ZINC000006780184 488089116 /nfs/dbraw/zinc/08/91/16/488089116.db2.gz JBWFBMMQKGBHTC-LSDHHAIUSA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1N ZINC000006780184 488089119 /nfs/dbraw/zinc/08/91/19/488089119.db2.gz JBWFBMMQKGBHTC-LSDHHAIUSA-N 1 3 232.371 2.288 20 0 BEADHO Cc1ccc([C@H]2CCN(CCC[NH3+])C2)cc1 ZINC000516423695 488099118 /nfs/dbraw/zinc/09/91/18/488099118.db2.gz QSLODHHDXYJZNA-AWEZNQCLSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccc([C@H]2CC[N@H+](CCCN)C2)cc1 ZINC000516423695 488099123 /nfs/dbraw/zinc/09/91/23/488099123.db2.gz QSLODHHDXYJZNA-AWEZNQCLSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccc([C@H]2CC[N@@H+](CCCN)C2)cc1 ZINC000516423695 488099126 /nfs/dbraw/zinc/09/91/26/488099126.db2.gz QSLODHHDXYJZNA-AWEZNQCLSA-N 1 3 218.344 2.133 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403375562 488122160 /nfs/dbraw/zinc/12/21/60/488122160.db2.gz KEHPKZWJWUMXPE-RKQHYHRCSA-N 1 3 222.376 2.234 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403375562 488122167 /nfs/dbraw/zinc/12/21/67/488122167.db2.gz KEHPKZWJWUMXPE-RKQHYHRCSA-N 1 3 222.376 2.234 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403375562 488122173 /nfs/dbraw/zinc/12/21/73/488122173.db2.gz KEHPKZWJWUMXPE-RKQHYHRCSA-N 1 3 222.376 2.234 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796576 488123245 /nfs/dbraw/zinc/12/32/45/488123245.db2.gz PJECVSPMODDHMB-APIJFGDWSA-N 1 3 236.403 2.497 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796577 488123434 /nfs/dbraw/zinc/12/34/34/488123434.db2.gz PJECVSPMODDHMB-KBXIAJHMSA-N 1 3 236.403 2.497 20 0 BEADHO CCc1ccc(C(C)(C)C[NH2+]CCCN)cc1 ZINC000258698407 488128479 /nfs/dbraw/zinc/12/84/79/488128479.db2.gz GQRBJVITNCCKEI-UHFFFAOYSA-N 1 3 234.387 2.465 20 0 BEADHO CCc1ccc(C(C)(C)CNCCC[NH3+])cc1 ZINC000258698407 488128481 /nfs/dbraw/zinc/12/84/81/488128481.db2.gz GQRBJVITNCCKEI-UHFFFAOYSA-N 1 3 234.387 2.465 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1CN ZINC000403676150 488130031 /nfs/dbraw/zinc/13/00/31/488130031.db2.gz VQKPSJBUTWGCDH-ZSAUSMIDSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H]1CN ZINC000403676150 488130034 /nfs/dbraw/zinc/13/00/34/488130034.db2.gz VQKPSJBUTWGCDH-ZSAUSMIDSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCNCC1)C(C)(C)C ZINC000168781349 487540533 /nfs/dbraw/zinc/54/05/33/487540533.db2.gz CXXGZGWMBHMBAP-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382425492 487543230 /nfs/dbraw/zinc/54/32/30/487543230.db2.gz YAYJLFNFVBABBH-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO CNC[C@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000392789845 487555281 /nfs/dbraw/zinc/55/52/81/487555281.db2.gz DVNNCVLGFCPFEU-GFCCVEGCSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000392789845 487555289 /nfs/dbraw/zinc/55/52/89/487555289.db2.gz DVNNCVLGFCPFEU-GFCCVEGCSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H](CCN)[NH2+]CC(C)(C)c1ccccc1 ZINC000220520991 487513419 /nfs/dbraw/zinc/51/34/19/487513419.db2.gz TUQSWORRRBRNEI-LBPRGKRZSA-N 1 3 220.360 2.291 20 0 BEADHO C[C@@H](CC[NH3+])NCC(C)(C)c1ccccc1 ZINC000220520991 487513423 /nfs/dbraw/zinc/51/34/23/487513423.db2.gz TUQSWORRRBRNEI-LBPRGKRZSA-N 1 3 220.360 2.291 20 0 BEADHO CC(C)CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250543444 487734236 /nfs/dbraw/zinc/73/42/36/487734236.db2.gz CHFWAZGVJCVBOG-UONOGXRCSA-N 1 3 224.392 2.497 20 0 BEADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cccs1)C2 ZINC000390585847 488167765 /nfs/dbraw/zinc/16/77/65/488167765.db2.gz QRUYVOYMABJXJB-AAEUAGOBSA-N 1 3 236.384 2.309 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000390585847 488167768 /nfs/dbraw/zinc/16/77/68/488167768.db2.gz QRUYVOYMABJXJB-AAEUAGOBSA-N 1 3 236.384 2.309 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000390585847 488167771 /nfs/dbraw/zinc/16/77/71/488167771.db2.gz QRUYVOYMABJXJB-AAEUAGOBSA-N 1 3 236.384 2.309 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+]CCOCCN(C)C ZINC000683692303 488207691 /nfs/dbraw/zinc/20/76/91/488207691.db2.gz RVILNVMUNCPZDJ-AWEZNQCLSA-N 1 3 242.407 2.289 20 0 BEADHO CC(C)(CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000678844137 488289997 /nfs/dbraw/zinc/28/99/97/488289997.db2.gz VMMYBKDQLXDCAU-KBPBESRZSA-N 1 3 244.382 2.115 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000220594063 490052078 /nfs/dbraw/zinc/05/20/78/490052078.db2.gz MJFNSLXGICIUJR-LOWDOPEQSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000220594063 490052081 /nfs/dbraw/zinc/05/20/81/490052081.db2.gz MJFNSLXGICIUJR-LOWDOPEQSA-N 1 3 240.416 2.097 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665283123 490096095 /nfs/dbraw/zinc/09/60/95/490096095.db2.gz HUBXCCCFQVXQMK-GXTWGEPZSA-N 1 3 236.359 2.319 20 0 BEADHO CO[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000070327815 490209716 /nfs/dbraw/zinc/20/97/16/490209716.db2.gz DDENLOHGDHQXED-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO Cc1cccc(CCN[C@@H](C)C[C@H]2CCC[NH2+]2)n1 ZINC000415111187 490214808 /nfs/dbraw/zinc/21/48/08/490214808.db2.gz UCYNSSHDNIBOCN-DZGCQCFKSA-N 1 3 247.386 2.053 20 0 BEADHO NC1(C[NH2+]Cc2ccnc3ccccc23)CCC1 ZINC000560943729 490479261 /nfs/dbraw/zinc/47/92/61/490479261.db2.gz RPWJJIVDYDMEOS-UHFFFAOYSA-N 1 3 241.338 2.206 20 0 BEADHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000562960247 491133339 /nfs/dbraw/zinc/13/33/39/491133339.db2.gz LYJGHGILMKNJHJ-WFASDCNBSA-N 1 3 248.370 2.221 20 0 BEADHO CC1(C)CCC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000310147504 491160547 /nfs/dbraw/zinc/16/05/47/491160547.db2.gz OGTZZHDLIRRYIY-ZIAGYGMSSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H](NC[C@@H]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000400386910 533881070 /nfs/dbraw/zinc/88/10/70/533881070.db2.gz MCRKSBSPNHELHB-YNEHKIRRSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@H]1CCCN1 ZINC000400386910 533881071 /nfs/dbraw/zinc/88/10/71/533881071.db2.gz MCRKSBSPNHELHB-YNEHKIRRSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)[C@H]1CCCN1 ZINC000400482274 533906996 /nfs/dbraw/zinc/90/69/96/533906996.db2.gz CIDSBBVCWATRED-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N[C@H]1CCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400342031 534013947 /nfs/dbraw/zinc/01/39/47/534013947.db2.gz GALZRROUMOETGW-LNSITVRQSA-N 1 3 230.355 2.262 20 0 BEADHO C[C@@H]1C[C@H]1C[NH+]1CCC(N2CCCC2)CC1 ZINC000488310162 534021258 /nfs/dbraw/zinc/02/12/58/534021258.db2.gz PQCORMYVNHRIFI-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CC[C@@H](COC)NCCC[NH+]1CCC(C)CC1 ZINC000079707384 535761060 /nfs/dbraw/zinc/76/10/60/535761060.db2.gz QPTZJFQFFMUUIA-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000488401020 534143597 /nfs/dbraw/zinc/14/35/97/534143597.db2.gz VFOUKSUPEAVSOJ-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000082847462 535822074 /nfs/dbraw/zinc/82/20/74/535822074.db2.gz QPHIHXAIXWEZPP-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC1 ZINC000251378292 535946773 /nfs/dbraw/zinc/94/67/73/535946773.db2.gz SKLBFACROWMELS-IHRRRGAJSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000130237047 535937634 /nfs/dbraw/zinc/93/76/34/535937634.db2.gz SKLBFACROWMELS-MCIONIFRSA-N 1 3 222.376 2.391 20 0 BEADHO CCN1CC[C@H](C[NH2+]C/C=C\c2ccncc2)C1 ZINC000486986779 527815364 /nfs/dbraw/zinc/81/53/64/527815364.db2.gz ZKHLNODXCAUKFB-ABCZVMIZSA-N 1 3 245.370 2.026 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838087 /nfs/dbraw/zinc/83/80/87/527838087.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838096 /nfs/dbraw/zinc/83/80/96/527838096.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838103 /nfs/dbraw/zinc/83/81/03/527838103.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000488321745 527838108 /nfs/dbraw/zinc/83/81/08/527838108.db2.gz NRIMXTQTWXXTBZ-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414847549 528034403 /nfs/dbraw/zinc/03/44/03/528034403.db2.gz FSWLXOVYRCLVTL-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CC[C@H](C2CC2)C1 ZINC000400006186 528347797 /nfs/dbraw/zinc/34/77/97/528347797.db2.gz RLKLPELXYBQTEU-QWHCGFSZSA-N 1 3 210.365 2.092 20 0 BEADHO CCC(CC)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000250372696 535081711 /nfs/dbraw/zinc/08/17/11/535081711.db2.gz AMBGMZFHRRFJPT-OLZOCXBDSA-N 1 3 210.365 2.391 20 0 BEADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000222174275 535157874 /nfs/dbraw/zinc/15/78/74/535157874.db2.gz OVMULWGSSVCFKN-VXGBXAGGSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000222174275 535157877 /nfs/dbraw/zinc/15/78/77/535157877.db2.gz OVMULWGSSVCFKN-VXGBXAGGSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000222174275 535157882 /nfs/dbraw/zinc/15/78/82/535157882.db2.gz OVMULWGSSVCFKN-VXGBXAGGSA-N 1 3 208.349 2.003 20 0 BEADHO CC[NH+]1CCC(N(C)CCc2ccncc2)CC1 ZINC000077249454 535458368 /nfs/dbraw/zinc/45/83/68/535458368.db2.gz MKFXSLVRXXHBLT-UHFFFAOYSA-N 1 3 247.386 2.040 20 0 BEADHO CC[C@@H](C)CN(CC)C[C@@]1(C)CC[NH2+]C1 ZINC000223399873 535509570 /nfs/dbraw/zinc/50/95/70/535509570.db2.gz YSMFLGKSOAHNRM-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCOC ZINC000348309343 535577076 /nfs/dbraw/zinc/57/70/76/535577076.db2.gz FXHVBTOTABMMEX-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCOC ZINC000348309343 535577081 /nfs/dbraw/zinc/57/70/81/535577081.db2.gz FXHVBTOTABMMEX-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261587433 536179579 /nfs/dbraw/zinc/17/95/79/536179579.db2.gz VBPDECJCQVLOEJ-JYJNAYRXSA-N 1 3 244.382 2.418 20 0 BEADHO CCc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000252697448 536180065 /nfs/dbraw/zinc/18/00/65/536180065.db2.gz HMBKIVGFRFODGX-DOMZBBRYSA-N 1 3 232.371 2.418 20 0 BEADHO C[N@@H+]1CCCC[C@H]1CCN1CCCSCC1 ZINC000335934799 536357551 /nfs/dbraw/zinc/35/75/51/536357551.db2.gz NEQWBPHGMLWJBK-ZDUSSCGKSA-N 1 3 242.432 2.300 20 0 BEADHO C[N@H+]1CCCC[C@H]1CCN1CCCSCC1 ZINC000335934799 536357552 /nfs/dbraw/zinc/35/75/52/536357552.db2.gz NEQWBPHGMLWJBK-ZDUSSCGKSA-N 1 3 242.432 2.300 20 0 BEADHO CO[C@@H]1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000261576244 536706307 /nfs/dbraw/zinc/70/63/07/536706307.db2.gz NOAVOPBXPCMETB-JLUCKKNBSA-N 1 3 246.354 2.288 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000261571451 536904885 /nfs/dbraw/zinc/90/48/85/536904885.db2.gz LBJOXEMJARCBEZ-SLEUVZQESA-N 1 3 248.370 2.344 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000261571453 536905435 /nfs/dbraw/zinc/90/54/35/536905435.db2.gz LBJOXEMJARCBEZ-TYNCELHUSA-N 1 3 248.370 2.344 20 0 BEADHO CN1CCC(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000894177116 583327372 /nfs/dbraw/zinc/32/73/72/583327372.db2.gz RXCYSTCBMLLQGJ-UHFFFAOYSA-N 1 3 232.318 2.059 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000854230548 588781045 /nfs/dbraw/zinc/78/10/45/588781045.db2.gz UGLFKWGYGXNSMS-JHJVBQTASA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000112340533 588794616 /nfs/dbraw/zinc/79/46/16/588794616.db2.gz DRPREEPNEWEOJZ-UHFFFAOYSA-N 1 3 210.365 2.106 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348089609 582495762 /nfs/dbraw/zinc/49/57/62/582495762.db2.gz UBUDWFOKDOFFKN-SNPRPXQTSA-N 1 3 236.403 2.497 20 0 BEADHO CN1CCC(C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000893663636 583190668 /nfs/dbraw/zinc/19/06/68/583190668.db2.gz JYDNCPGVAJYXAD-UHFFFAOYSA-N 1 3 222.376 2.204 20 0 BEADHO CN1CCC(C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000893663636 583190670 /nfs/dbraw/zinc/19/06/70/583190670.db2.gz JYDNCPGVAJYXAD-UHFFFAOYSA-N 1 3 222.376 2.204 20 0 BEADHO CN1CCC(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)CC1 ZINC000894543561 583481495 /nfs/dbraw/zinc/48/14/95/583481495.db2.gz AHLXZFMSSWDVGP-AWEZNQCLSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CCC(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)CC1 ZINC000894543561 583481498 /nfs/dbraw/zinc/48/14/98/583481498.db2.gz AHLXZFMSSWDVGP-AWEZNQCLSA-N 1 3 236.403 2.449 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000894735104 583514316 /nfs/dbraw/zinc/51/43/16/583514316.db2.gz GJHKNPOCVHWLLA-JKSUJKDBSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000894735104 583514317 /nfs/dbraw/zinc/51/43/17/583514317.db2.gz GJHKNPOCVHWLLA-JKSUJKDBSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC000894948834 583559290 /nfs/dbraw/zinc/55/92/90/583559290.db2.gz NVBKVHCUQIQPRP-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC000894948834 583559292 /nfs/dbraw/zinc/55/92/92/583559292.db2.gz NVBKVHCUQIQPRP-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO CC1=CC[C@@H]([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000895294351 583638304 /nfs/dbraw/zinc/63/83/04/583638304.db2.gz UJYMSPDZZVTDMJ-QWHCGFSZSA-N 1 3 210.365 2.415 20 0 BEADHO C[C@@H](CC[NH2+]C1CC2(CCC2)C1)N(C)C ZINC000895292575 583639183 /nfs/dbraw/zinc/63/91/83/583639183.db2.gz QECWLIXTGPKPHA-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N(C)C)CS1 ZINC000895293730 583639853 /nfs/dbraw/zinc/63/98/53/583639853.db2.gz KPPKZNQVOXOVQW-XQQFMLRXSA-N 1 3 244.448 2.446 20 0 BEADHO CC(C)[C@@H]1C[C@@H](NCC[C@H](C)[NH+](C)C)CS1 ZINC000895293730 583639854 /nfs/dbraw/zinc/63/98/54/583639854.db2.gz KPPKZNQVOXOVQW-XQQFMLRXSA-N 1 3 244.448 2.446 20 0 BEADHO CN1CCC(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000895830471 583735502 /nfs/dbraw/zinc/73/55/02/583735502.db2.gz ZZQQOROKYAHCCN-GASCZTMLSA-N 1 3 234.387 2.226 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000895830471 583735503 /nfs/dbraw/zinc/73/55/03/583735503.db2.gz ZZQQOROKYAHCCN-GASCZTMLSA-N 1 3 234.387 2.226 20 0 BEADHO C[N@@H+]1CC[C@@H](NCCc2cccnc2)CC1(C)C ZINC000858093436 588932399 /nfs/dbraw/zinc/93/23/99/588932399.db2.gz BFOIQCOEVJOOMU-CQSZACIVSA-N 1 3 247.386 2.087 20 0 BEADHO C[N@H+]1CC[C@@H](NCCc2cccnc2)CC1(C)C ZINC000858093436 588932400 /nfs/dbraw/zinc/93/24/00/588932400.db2.gz BFOIQCOEVJOOMU-CQSZACIVSA-N 1 3 247.386 2.087 20 0 BEADHO CCC[NH+]1CCC(CNCc2ccoc2)CC1 ZINC000729682006 584022607 /nfs/dbraw/zinc/02/26/07/584022607.db2.gz FSEKEOXSFSKLNV-UHFFFAOYSA-N 1 3 236.359 2.491 20 0 BEADHO CCCCOCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902333801 584563319 /nfs/dbraw/zinc/56/33/19/584563319.db2.gz ODJPHAFPGAPXAC-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO CS[C@@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902360246 584571199 /nfs/dbraw/zinc/57/11/99/584571199.db2.gz HHHRRCKDFVMDAD-QWRGUYRKSA-N 1 3 230.421 2.106 20 0 BEADHO CS[C@@H](C)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360246 584571200 /nfs/dbraw/zinc/57/12/00/584571200.db2.gz HHHRRCKDFVMDAD-QWRGUYRKSA-N 1 3 230.421 2.106 20 0 BEADHO CS[C@@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902360247 584571703 /nfs/dbraw/zinc/57/17/03/584571703.db2.gz HHHRRCKDFVMDAD-WDEREUQCSA-N 1 3 230.421 2.106 20 0 BEADHO CS[C@@H](C)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360247 584571706 /nfs/dbraw/zinc/57/17/06/584571706.db2.gz HHHRRCKDFVMDAD-WDEREUQCSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@@H](Cc1coc2ccccc12)NCC1([NH3+])CC1 ZINC000902409711 584575251 /nfs/dbraw/zinc/57/52/51/584575251.db2.gz MQRCGQMPCYYEKZ-NSHDSACASA-N 1 3 244.338 2.445 20 0 BEADHO C[C@H](F)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902389131 584580546 /nfs/dbraw/zinc/58/05/46/584580546.db2.gz SDFJNGFAGQXRNM-WDEREUQCSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@H](F)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902389131 584580547 /nfs/dbraw/zinc/58/05/47/584580547.db2.gz SDFJNGFAGQXRNM-WDEREUQCSA-N 1 3 216.344 2.102 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2C=CCC2)C1 ZINC000902391567 584581738 /nfs/dbraw/zinc/58/17/38/584581738.db2.gz GYCQKXXUBCLVQA-NWDGAFQWSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902392795 584583410 /nfs/dbraw/zinc/58/34/10/584583410.db2.gz MSSGKAFYFBDVFG-SRVKXCTJSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392795 584583412 /nfs/dbraw/zinc/58/34/12/584583412.db2.gz MSSGKAFYFBDVFG-SRVKXCTJSA-N 1 3 242.432 2.248 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NCC2=CCCC2)C1 ZINC000902395710 584585115 /nfs/dbraw/zinc/58/51/15/584585115.db2.gz FDRBFHYGGLTJSB-ZDUSSCGKSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)C1CCOCC1 ZINC000902432230 584595492 /nfs/dbraw/zinc/59/54/92/584595492.db2.gz ORGBKWRYIMIRCR-NWDGAFQWSA-N 1 3 242.407 2.155 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000902440837 584597118 /nfs/dbraw/zinc/59/71/18/584597118.db2.gz ARSOZOOVUFRAOL-XQQFMLRXSA-N 1 3 242.382 2.492 20 0 BEADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(N)CC1 ZINC000902414291 584599442 /nfs/dbraw/zinc/59/94/42/584599442.db2.gz VVIOLGCMBNSGJX-ZDUSSCGKSA-N 1 3 246.354 2.290 20 0 BEADHO CCCCO[C@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000902414726 584600354 /nfs/dbraw/zinc/60/03/54/584600354.db2.gz ZVJOLKHVUSRMCT-RYUDHWBXSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902447320 584604766 /nfs/dbraw/zinc/60/47/66/584604766.db2.gz SHEATWHJHNQJGA-RYUDHWBXSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472820 584600876 /nfs/dbraw/zinc/60/08/76/584600876.db2.gz HZGHXAONNDTSGR-OADPDTJPSA-N 1 3 248.345 2.239 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472477 584601462 /nfs/dbraw/zinc/60/14/62/584601462.db2.gz AORHWIFDRGYLID-LVQVYYBASA-N 1 3 244.382 2.490 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474615 584601822 /nfs/dbraw/zinc/60/18/22/584601822.db2.gz GFSBCSXKHDJQJH-WZBKEBKWSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@H]1CCC[C@H](C)C1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474613 584601960 /nfs/dbraw/zinc/60/19/60/584601960.db2.gz GFSBCSXKHDJQJH-IEECTRCBSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478884 584603612 /nfs/dbraw/zinc/60/36/12/584603612.db2.gz YOVOAPNUAKDCFW-PEBLQZBPSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CNCC1(C)C ZINC000902448171 584605116 /nfs/dbraw/zinc/60/51/16/584605116.db2.gz DGUBIMPOVBTSPN-DTWKUNHWSA-N 1 3 238.297 2.305 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902448691 584605394 /nfs/dbraw/zinc/60/53/94/584605394.db2.gz HAOQPMKTGGHQID-XQQFMLRXSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CCS1 ZINC000902451178 584606599 /nfs/dbraw/zinc/60/65/99/584606599.db2.gz GHFLTWQNMPIBIO-UTUOFQBUSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000902450398 584606911 /nfs/dbraw/zinc/60/69/11/584606911.db2.gz DBYLETOSIKYIDH-SDDRHHMPSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C1CNC1 ZINC000902457583 584610559 /nfs/dbraw/zinc/61/05/59/584610559.db2.gz UWXWUVWIWKWNPF-ZJUUUORDSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902458638 584611043 /nfs/dbraw/zinc/61/10/43/584611043.db2.gz WWWFSEWJTOXJDG-XHJNMGKDSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902465250 584613136 /nfs/dbraw/zinc/61/31/36/584613136.db2.gz DOLCYTSXFBFOEZ-CDGCEXEKSA-N 1 3 234.343 2.083 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000902469165 584615777 /nfs/dbraw/zinc/61/57/77/584615777.db2.gz YLNXSWLIRCAFNO-YOVYLDAJSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000902505794 584621502 /nfs/dbraw/zinc/62/15/02/584621502.db2.gz UCWOQSYDESEANA-FVCCEPFGSA-N 1 3 208.349 2.201 20 0 BEADHO CCOc1ccccc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902488046 584626946 /nfs/dbraw/zinc/62/69/46/584626946.db2.gz IVSFMXQLHAHSSA-JHJVBQTASA-N 1 3 248.370 2.473 20 0 BEADHO COc1ccccc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902488806 584627259 /nfs/dbraw/zinc/62/72/59/584627259.db2.gz NZGULVJEMBYVHG-SRVKXCTJSA-N 1 3 234.343 2.083 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](c2ccncc2)C2CC2)C1 ZINC000902513926 584629542 /nfs/dbraw/zinc/62/95/42/584629542.db2.gz IZDMQKKIRLXMGB-KFWWJZLASA-N 1 3 245.370 2.392 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2ccncc2)C2CC2)C1 ZINC000902513927 584629670 /nfs/dbraw/zinc/62/96/70/584629670.db2.gz IZDMQKKIRLXMGB-QLFBSQMISA-N 1 3 245.370 2.392 20 0 BEADHO CCCSC[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000903174898 584732744 /nfs/dbraw/zinc/73/27/44/584732744.db2.gz OQKNOANJNSIIQI-NWDGAFQWSA-N 1 3 232.437 2.305 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903252498 584739111 /nfs/dbraw/zinc/73/91/11/584739111.db2.gz DITRWFOBDWPRHK-ULXLPNHUSA-N 1 3 234.387 2.247 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000903252498 584739112 /nfs/dbraw/zinc/73/91/12/584739112.db2.gz DITRWFOBDWPRHK-ULXLPNHUSA-N 1 3 234.387 2.247 20 0 BEADHO C[C@H](C1CC1)N(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903430785 584761435 /nfs/dbraw/zinc/76/14/35/584761435.db2.gz AXOMPJOMGIZJDB-WZRBSPASSA-N 1 3 222.376 2.105 20 0 BEADHO [NH3+]C[C@@H]1CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903421307 584763646 /nfs/dbraw/zinc/76/36/46/584763646.db2.gz LCKBGZWSUJXKSI-ZDUSSCGKSA-N 1 3 243.354 2.339 20 0 BEADHO C[C@@]1(C[NH3+])CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903451569 584772158 /nfs/dbraw/zinc/77/21/58/584772158.db2.gz BJQYPTASIXUFSY-HNNXBMFYSA-N 1 3 243.354 2.339 20 0 BEADHO C[C@@]1(CN)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903451569 584772160 /nfs/dbraw/zinc/77/21/60/584772160.db2.gz BJQYPTASIXUFSY-HNNXBMFYSA-N 1 3 243.354 2.339 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903451569 584772162 /nfs/dbraw/zinc/77/21/62/584772162.db2.gz BJQYPTASIXUFSY-HNNXBMFYSA-N 1 3 243.354 2.339 20 0 BEADHO [NH3+][C@@H]1CC[C@H](CN2CCc3cc(F)ccc3C2)C1 ZINC000903454665 584773460 /nfs/dbraw/zinc/77/34/60/584773460.db2.gz HROZCRPRQVQGLI-XHDPSFHLSA-N 1 3 248.345 2.311 20 0 BEADHO C(CC1CCCC1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471216 584775211 /nfs/dbraw/zinc/77/52/11/584775211.db2.gz RXPCSTDKAUCDCV-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO NC1(C[NH2+]Cc2ccccc2CF)CCC1 ZINC000903743074 584796628 /nfs/dbraw/zinc/79/66/28/584796628.db2.gz HVFIMSQXSBCLFK-UHFFFAOYSA-N 1 3 222.307 2.127 20 0 BEADHO CC1CC(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000903765414 584797298 /nfs/dbraw/zinc/79/72/98/584797298.db2.gz ZPHJQDNXPGSGKI-HOAMVYINSA-N 1 3 222.376 2.093 20 0 BEADHO CC1CC(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000903765414 584797300 /nfs/dbraw/zinc/79/73/00/584797300.db2.gz ZPHJQDNXPGSGKI-HOAMVYINSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@H](C[NH2+][C@H]1CNCC1(C)C)C(C)(C)C ZINC000903821641 584804127 /nfs/dbraw/zinc/80/41/27/584804127.db2.gz OLUXVRVWVAWKLL-MNOVXSKESA-N 1 3 212.381 2.256 20 0 BEADHO [NH3+]C[C@@]12CC[C@H]1CCN2CCCc1ccccc1 ZINC000903858697 584810817 /nfs/dbraw/zinc/81/08/17/584810817.db2.gz YEHWTIPMXIFRJD-HOTGVXAUSA-N 1 3 244.382 2.432 20 0 BEADHO [NH3+]C[C@]12CC[C@@H]1CCN2C[C@H]1CCC(F)(F)C1 ZINC000903861804 584812384 /nfs/dbraw/zinc/81/23/84/584812384.db2.gz YFTSYNGDPOIKIS-QJPTWQEYSA-N 1 3 244.329 2.235 20 0 BEADHO Cc1cccc(CCNC[C@@H]([NH3+])CC(F)F)c1 ZINC000903926001 584823988 /nfs/dbraw/zinc/82/39/88/584823988.db2.gz QTCBNKMOMADCOW-LBPRGKRZSA-N 1 3 242.313 2.110 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]CCC(C)(C)N ZINC000903939748 584829241 /nfs/dbraw/zinc/82/92/41/584829241.db2.gz LOLYALGLHDTNKE-MRVPVSSYSA-N 1 3 226.286 2.434 20 0 BEADHO C[C@H]1C[C@@H](CNCc2cc(C3CC3)no2)CC[NH2+]1 ZINC000903954096 584831395 /nfs/dbraw/zinc/83/13/95/584831395.db2.gz QAARVUBPEMDOAN-QWRGUYRKSA-N 1 3 249.358 2.030 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963860 584833328 /nfs/dbraw/zinc/83/33/28/584833328.db2.gz IABXRPMSTQARBD-FRRDWIJNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000903963589 584833624 /nfs/dbraw/zinc/83/36/24/584833624.db2.gz BQFXGNDWFPURBZ-RUZUBIRVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCCC1(C)C ZINC000903964371 584834128 /nfs/dbraw/zinc/83/41/28/584834128.db2.gz OEILRYWFPLEBES-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000903965093 584834335 /nfs/dbraw/zinc/83/43/35/584834335.db2.gz ZWNMIGZRUZIJRT-RUZUBIRVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000903964887 584834589 /nfs/dbraw/zinc/83/45/89/584834589.db2.gz XSQXRMDQZGUIFT-UMSGYPCISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](CNC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903967735 584835160 /nfs/dbraw/zinc/83/51/60/584835160.db2.gz MNSMUVSTCGFMAN-GZBFAFLISA-N 1 3 232.371 2.235 20 0 BEADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@]1(C)CCCNC1 ZINC000904378495 584875862 /nfs/dbraw/zinc/87/58/62/584875862.db2.gz DVBXQPRSLZWICC-GXTWGEPZSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@]1(C)CCCNC1 ZINC000904378495 584875863 /nfs/dbraw/zinc/87/58/63/584875863.db2.gz DVBXQPRSLZWICC-GXTWGEPZSA-N 1 3 224.392 2.354 20 0 BEADHO CN(C[C@@H]1CC1(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000904378495 584875864 /nfs/dbraw/zinc/87/58/64/584875864.db2.gz DVBXQPRSLZWICC-GXTWGEPZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](CNC[C@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000904377396 584876292 /nfs/dbraw/zinc/87/62/92/584876292.db2.gz PTUHMDOGRZFEJC-UKRRQHHQSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccccn1 ZINC000904377396 584876294 /nfs/dbraw/zinc/87/62/94/584876294.db2.gz PTUHMDOGRZFEJC-UKRRQHHQSA-N 1 3 247.386 2.164 20 0 BEADHO CC1(F)CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904384427 584877153 /nfs/dbraw/zinc/87/71/53/584877153.db2.gz KKVNUUILBXUVMN-LBPRGKRZSA-N 1 3 228.355 2.200 20 0 BEADHO CC1(F)CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904384427 584877154 /nfs/dbraw/zinc/87/71/54/584877154.db2.gz KKVNUUILBXUVMN-LBPRGKRZSA-N 1 3 228.355 2.200 20 0 BEADHO C[C@@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccncc1 ZINC000904381595 584877230 /nfs/dbraw/zinc/87/72/30/584877230.db2.gz ZLQWTGGBMSSBCL-DZGCQCFKSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H](CNC[C@]1(C)CCC[NH2+]C1)c1ccncc1 ZINC000904381595 584877231 /nfs/dbraw/zinc/87/72/31/584877231.db2.gz ZLQWTGGBMSSBCL-DZGCQCFKSA-N 1 3 247.386 2.164 20 0 BEADHO [NH3+]CC1CC(N[C@@H]2c3ccccc3CC[C@@H]2F)C1 ZINC000904386021 584877913 /nfs/dbraw/zinc/87/79/13/584877913.db2.gz MZEISRLQRYBSNO-TVSZOZCSSA-N 1 3 248.345 2.339 20 0 BEADHO COc1c(C)cc(C[NH2+][C@H](C)[C@H](C)N)cc1C ZINC000841082173 584883150 /nfs/dbraw/zinc/88/31/50/584883150.db2.gz WPRVCXHSYXAKPM-NWDGAFQWSA-N 1 3 236.359 2.137 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2NC[C@H](C)C[NH3+] ZINC000817962452 584992414 /nfs/dbraw/zinc/99/24/14/584992414.db2.gz MJLITHKGROVINV-RISCZKNCSA-N 1 3 218.344 2.167 20 0 BEADHO C[C@@H]1C[C@H](NCCNc2ccccc2)CC[N@@H+]1C ZINC000766514473 585503758 /nfs/dbraw/zinc/50/37/58/585503758.db2.gz GSTYXIIECQKTHW-UKRRQHHQSA-N 1 3 247.386 2.171 20 0 BEADHO C[C@@H]1C[C@H](NCCNc2ccccc2)CC[N@H+]1C ZINC000766514473 585503759 /nfs/dbraw/zinc/50/37/59/585503759.db2.gz GSTYXIIECQKTHW-UKRRQHHQSA-N 1 3 247.386 2.171 20 0 BEADHO CC(C)[C@H]([NH2+]CCCN(C)C)c1ccccn1 ZINC000775446826 585678012 /nfs/dbraw/zinc/67/80/12/585678012.db2.gz SJPLTWDMNYEUBA-AWEZNQCLSA-N 1 3 235.375 2.320 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000782192941 585811417 /nfs/dbraw/zinc/81/14/17/585811417.db2.gz XDIGJUWYUZZWBJ-KWCYVHTRSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000782192941 585811418 /nfs/dbraw/zinc/81/14/18/585811418.db2.gz XDIGJUWYUZZWBJ-KWCYVHTRSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000782192942 585811688 /nfs/dbraw/zinc/81/16/88/585811688.db2.gz XDIGJUWYUZZWBJ-MRVWCRGKSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000782192942 585811689 /nfs/dbraw/zinc/81/16/89/585811689.db2.gz XDIGJUWYUZZWBJ-MRVWCRGKSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000817893534 586834387 /nfs/dbraw/zinc/83/43/87/586834387.db2.gz FMSLVYFCBGGEGV-TUAOUCFPSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)[C@@H]1CCCN1)C(C)(C)C ZINC000817893534 586834389 /nfs/dbraw/zinc/83/43/89/586834389.db2.gz FMSLVYFCBGGEGV-TUAOUCFPSA-N 1 3 212.381 2.399 20 0 BEADHO CS[C@@H]1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000817897222 586835010 /nfs/dbraw/zinc/83/50/10/586835010.db2.gz HGUTYKXJBXOMLM-LOWDOPEQSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H]([NH2+]C1CCNCC1)c1ccc2c(c1)CCO2 ZINC000817898891 586835662 /nfs/dbraw/zinc/83/56/62/586835662.db2.gz CECVIBNMIOEGFP-NSHDSACASA-N 1 3 246.354 2.024 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@]1(C)CC1(Cl)Cl ZINC000817937605 586844630 /nfs/dbraw/zinc/84/46/30/586844630.db2.gz SRHIGGCGZODMHT-YIZRAAEISA-N 1 3 239.190 2.286 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961986 586853473 /nfs/dbraw/zinc/85/34/73/586853473.db2.gz FTXYJVXFIRQFNX-FZMZJTMJSA-N 1 3 248.370 2.257 20 0 BEADHO C[C@@H](CSC(C)(C)C)NCC1([NH3+])CCC1 ZINC000817964800 586853727 /nfs/dbraw/zinc/85/37/27/586853727.db2.gz JKUVXPOVOGYPBT-JTQLQIEISA-N 1 3 230.421 2.378 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)c1 ZINC000817965470 586853896 /nfs/dbraw/zinc/85/38/96/586853896.db2.gz QZLWXVHDBSOOSD-XHDPSFHLSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000817972123 586859533 /nfs/dbraw/zinc/85/95/33/586859533.db2.gz TWQVAQQSGIGASU-TUAOUCFPSA-N 1 3 244.448 2.494 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000817972123 586859535 /nfs/dbraw/zinc/85/95/35/586859535.db2.gz TWQVAQQSGIGASU-TUAOUCFPSA-N 1 3 244.448 2.494 20 0 BEADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H](C)N)c1 ZINC000817972166 586859782 /nfs/dbraw/zinc/85/97/82/586859782.db2.gz UQKZXDFZBOSAMF-WDEREUQCSA-N 1 3 222.332 2.083 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817979156 586861336 /nfs/dbraw/zinc/86/13/36/586861336.db2.gz IGVPBYZZNVKORJ-ZWNOBZJWSA-N 1 3 234.343 2.009 20 0 BEADHO C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000817984811 586862874 /nfs/dbraw/zinc/86/28/74/586862874.db2.gz AIYODOFAJSOFAU-MCIONIFRSA-N 1 3 234.387 2.439 20 0 BEADHO Cc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1N ZINC000818341188 586887291 /nfs/dbraw/zinc/88/72/91/586887291.db2.gz WNHFKIDJUVMVOV-ZIAGYGMSSA-N 1 3 248.370 2.233 20 0 BEADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000818341261 586887364 /nfs/dbraw/zinc/88/73/64/586887364.db2.gz YEWULXQBSGTJOK-HUUCEWRRSA-N 1 3 246.354 2.076 20 0 BEADHO Cc1cc([C@H]2CCCN2CC2CC[NH2+]CC2)no1 ZINC000823578918 587232079 /nfs/dbraw/zinc/23/20/79/587232079.db2.gz KHWQFGVFCKDOHO-CQSZACIVSA-N 1 3 249.358 2.120 20 0 BEADHO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(Cl)nc1 ZINC000841088104 587945974 /nfs/dbraw/zinc/94/59/74/587945974.db2.gz XJENEZNBRBGPKJ-SNVBAGLBSA-N 1 3 241.766 2.198 20 0 BEADHO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccnc(Cl)c1 ZINC000842475115 588028875 /nfs/dbraw/zinc/02/88/75/588028875.db2.gz JVLPWGYQOHMRNB-SNVBAGLBSA-N 1 3 241.766 2.198 20 0 BEADHO CC[C@H]1C[C@@H](CN2CCC(C)([NH3+])CC2)CCO1 ZINC000843108464 588081958 /nfs/dbraw/zinc/08/19/58/588081958.db2.gz SVVYMMRASSMVMI-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cncc2ccccc21 ZINC000843127998 588085339 /nfs/dbraw/zinc/08/53/39/588085339.db2.gz GRGFQYNYFKDEHF-VXGBXAGGSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1ccoc1 ZINC000843343704 588101557 /nfs/dbraw/zinc/10/15/57/588101557.db2.gz WUBXMABWFLVQHR-NSHDSACASA-N 1 3 210.321 2.449 20 0 BEADHO CC(C)C[C@@H]1COCCN1CCCCCC[NH3+] ZINC000846217914 588260661 /nfs/dbraw/zinc/26/06/61/588260661.db2.gz INGZJAPYLGKNPK-CQSZACIVSA-N 1 3 242.407 2.252 20 0 BEADHO Cl/C=C\CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000846221250 588261332 /nfs/dbraw/zinc/26/13/32/588261332.db2.gz VICACEDIOOXPKE-COGOEBJDSA-N 1 3 228.767 2.060 20 0 BEADHO C[C@H](O)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848717893 588408006 /nfs/dbraw/zinc/40/80/06/588408006.db2.gz XACUTDYKDVGZBW-NILFDRSVSA-N 1 3 248.370 2.099 20 0 BEADHO C[C@H](O)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848717890 588408180 /nfs/dbraw/zinc/40/81/80/588408180.db2.gz XACUTDYKDVGZBW-GLQYFDAESA-N 1 3 248.370 2.099 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCC(C)(C)CO1 ZINC000866661828 589508598 /nfs/dbraw/zinc/50/85/98/589508598.db2.gz VOQUJQURKJSYJN-TZMCWYRMSA-N 1 3 242.407 2.155 20 0 BEADHO C[NH2+]CCCN1CCC[C@H](OC2CCC2)CC1 ZINC000866696920 589512577 /nfs/dbraw/zinc/51/25/77/589512577.db2.gz CFPKQARUHMTRQU-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000872254318 589901039 /nfs/dbraw/zinc/90/10/39/589901039.db2.gz ZLNCBQMLFNHJBH-GFCCVEGCSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH+](CC)CCCN[C@]12CCC[C@H]1OCC2 ZINC000872315250 589909934 /nfs/dbraw/zinc/90/99/34/589909934.db2.gz QINBEMVLBJOIMF-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CCN(CC)CCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315250 589909935 /nfs/dbraw/zinc/90/99/35/589909935.db2.gz QINBEMVLBJOIMF-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO c1nc(CN[C@H]2CCCCC23CC[NH2+]CC3)co1 ZINC000873232896 590002522 /nfs/dbraw/zinc/00/25/22/590002522.db2.gz QHNLPYCTVMXAFM-ZDUSSCGKSA-N 1 3 249.358 2.077 20 0 BEADHO C[C@@H](NCC[C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000873236292 590003831 /nfs/dbraw/zinc/00/38/31/590003831.db2.gz VKZNJWIWFXPVHS-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236014 590004083 /nfs/dbraw/zinc/00/40/83/590004083.db2.gz VVGDQBFJZVXLSO-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)oc1C ZINC000873249296 590007646 /nfs/dbraw/zinc/00/76/46/590007646.db2.gz KJIHFODGPKADQG-ZMLRMANQSA-N 1 3 222.332 2.284 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cccc(F)c1F ZINC000873249508 590007767 /nfs/dbraw/zinc/00/77/67/590007767.db2.gz AQPZWAMSRXHWQJ-LPEHRKFASA-N 1 3 240.297 2.353 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000873251030 590008429 /nfs/dbraw/zinc/00/84/29/590008429.db2.gz IAYTZBGAEIGCFJ-BDAKNGLRSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)C(C)(F)F ZINC000873251030 590008432 /nfs/dbraw/zinc/00/84/32/590008432.db2.gz IAYTZBGAEIGCFJ-BDAKNGLRSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000873251032 590008546 /nfs/dbraw/zinc/00/85/46/590008546.db2.gz IAYTZBGAEIGCFJ-IUCAKERBSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)C(C)(F)F ZINC000873251032 590008549 /nfs/dbraw/zinc/00/85/49/590008549.db2.gz IAYTZBGAEIGCFJ-IUCAKERBSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC1([C@H]2CCCCO2)CCC1 ZINC000873277521 590017865 /nfs/dbraw/zinc/01/78/65/590017865.db2.gz TUTAKSXOFHCNMZ-RWMBFGLXSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC1([C@@H]2CCCCO2)CCC1 ZINC000873277522 590018091 /nfs/dbraw/zinc/01/80/91/590018091.db2.gz TUTAKSXOFHCNMZ-XQQFMLRXSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@@H]1C=CCC1 ZINC000873281675 590018926 /nfs/dbraw/zinc/01/89/26/590018926.db2.gz OLCVDSUGQYOGQC-YNEHKIRRSA-N 1 3 210.365 2.448 20 0 BEADHO CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741286 590408805 /nfs/dbraw/zinc/40/88/05/590408805.db2.gz AKBLAFNJTIXEBA-GJZGRUSLSA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]21 ZINC000877741286 590408808 /nfs/dbraw/zinc/40/88/08/590408808.db2.gz AKBLAFNJTIXEBA-GJZGRUSLSA-N 1 3 230.355 2.213 20 0 BEADHO CN1CC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743492 590410664 /nfs/dbraw/zinc/41/06/64/590410664.db2.gz WJSQAVRBSNHSPY-CVEARBPZSA-N 1 3 244.382 2.255 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743492 590410665 /nfs/dbraw/zinc/41/06/65/590410665.db2.gz WJSQAVRBSNHSPY-CVEARBPZSA-N 1 3 244.382 2.255 20 0 BEADHO C=C/C=C\CC[NH+]1CCC(N(C)C)CC1 ZINC000877958706 590458198 /nfs/dbraw/zinc/45/81/98/590458198.db2.gz DLHJIGGVVWWXGY-WAYWQWQTSA-N 1 3 208.349 2.145 20 0 BEADHO C=C/C=C/CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000878190097 590520852 /nfs/dbraw/zinc/52/08/52/590520852.db2.gz DFPLFVWUQKSYLS-ONEGZZNKSA-N 1 3 243.354 2.336 20 0 BEADHO C[NH+]1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC000878864394 590634415 /nfs/dbraw/zinc/63/44/15/590634415.db2.gz AGIAJJQMNSGTDY-QHHAFSJGSA-N 1 3 228.767 2.157 20 0 BEADHO CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020472 590910774 /nfs/dbraw/zinc/91/07/74/590910774.db2.gz KBTHLONQZIWRNG-CVEARBPZSA-N 1 3 244.382 2.460 20 0 BEADHO CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020472 590910777 /nfs/dbraw/zinc/91/07/77/590910777.db2.gz KBTHLONQZIWRNG-CVEARBPZSA-N 1 3 244.382 2.460 20 0 BEADHO FC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000880240311 590974587 /nfs/dbraw/zinc/97/45/87/590974587.db2.gz UQFNPBISDRUCQY-UHFFFAOYSA-N 1 3 228.355 2.296 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259551 590979683 /nfs/dbraw/zinc/97/96/83/590979683.db2.gz WAPLJJHDWAPPTG-MGPQQGTHSA-N 1 3 245.370 2.248 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880259551 590979687 /nfs/dbraw/zinc/97/96/87/590979687.db2.gz WAPLJJHDWAPPTG-MGPQQGTHSA-N 1 3 245.370 2.248 20 0 BEADHO C[C@H]1C[N@H+](CCC2CC2)CCN1c1ccncc1 ZINC000880260685 590980525 /nfs/dbraw/zinc/98/05/25/590980525.db2.gz RESHBHAEZDDIAW-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]1C[N@@H+](CCC2CC2)CCN1c1ccncc1 ZINC000880260685 590980529 /nfs/dbraw/zinc/98/05/29/590980529.db2.gz RESHBHAEZDDIAW-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO CC(C)CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880472156 591048710 /nfs/dbraw/zinc/04/87/10/591048710.db2.gz FQJAWERXLGMUPH-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH2+]C[C@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883416948 591652078 /nfs/dbraw/zinc/65/20/78/591652078.db2.gz JLQUAGUJSRAHJX-NEPJUHHUSA-N 1 3 246.345 2.353 20 0 BEADHO [NH3+]C[C@@H]1CCN(CC[C@@H]2CCCC2(F)F)C1 ZINC000883417170 591652887 /nfs/dbraw/zinc/65/28/87/591652887.db2.gz PUBFCCGRABVPQD-QWRGUYRKSA-N 1 3 232.318 2.093 20 0 BEADHO C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)CC[C@H]1[NH3+] ZINC000883417807 591654454 /nfs/dbraw/zinc/65/44/54/591654454.db2.gz NSFKDSANWZQVLX-GRYCIOLGSA-N 1 3 246.345 2.481 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@H]1CCCC(C)(C)O1 ZINC000883441868 591669415 /nfs/dbraw/zinc/66/94/15/591669415.db2.gz ZGHLAZBBZRREMI-WOPDTQHZSA-N 1 3 240.391 2.050 20 0 BEADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)O1 ZINC000883441868 591669416 /nfs/dbraw/zinc/66/94/16/591669416.db2.gz ZGHLAZBBZRREMI-WOPDTQHZSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@]1(c2ccccc2)CCC[N@@H+]1CCCN ZINC000883459541 591674143 /nfs/dbraw/zinc/67/41/43/591674143.db2.gz ALRGZYJKWRLORV-CQSZACIVSA-N 1 3 218.344 2.346 20 0 BEADHO C[C@]1(c2ccccc2)CCC[N@H+]1CCCN ZINC000883459541 591674144 /nfs/dbraw/zinc/67/41/44/591674144.db2.gz ALRGZYJKWRLORV-CQSZACIVSA-N 1 3 218.344 2.346 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H]1CCCO1 ZINC000131949054 591679358 /nfs/dbraw/zinc/67/93/58/591679358.db2.gz CBNLGONBJZJDIS-BSLXNSKLSA-N 1 3 246.354 2.288 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110128 592315164 /nfs/dbraw/zinc/31/51/64/592315164.db2.gz VUPKIEMVCGGHSY-OAHLLOKOSA-N 1 3 232.371 2.460 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110128 592315170 /nfs/dbraw/zinc/31/51/70/592315170.db2.gz VUPKIEMVCGGHSY-OAHLLOKOSA-N 1 3 232.371 2.460 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NCCSC(F)(F)F ZINC000886829593 592351814 /nfs/dbraw/zinc/35/18/14/592351814.db2.gz CYVVZNPQVGTDCR-MRVPVSSYSA-N 1 3 244.326 2.202 20 0 BEADHO CC[C@H](C)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887134914 592448412 /nfs/dbraw/zinc/44/84/12/592448412.db2.gz SGHDYNFTKFLCNZ-STQMWFEESA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@H](C)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000887134914 592448414 /nfs/dbraw/zinc/44/84/14/592448414.db2.gz SGHDYNFTKFLCNZ-STQMWFEESA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134914 592448416 /nfs/dbraw/zinc/44/84/16/592448416.db2.gz SGHDYNFTKFLCNZ-STQMWFEESA-N 1 3 233.359 2.391 20 0 BEADHO CCSC[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246582506 988117728 /nfs/dbraw/zinc/11/77/28/988117728.db2.gz NCWSZHBRWQODCA-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CCSC[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246582506 988117742 /nfs/dbraw/zinc/11/77/42/988117742.db2.gz NCWSZHBRWQODCA-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C=CCC1 ZINC000925731723 634569452 /nfs/dbraw/zinc/56/94/52/634569452.db2.gz MQAWBONWGRTIQX-YPMHNXCESA-N 1 3 245.370 2.466 20 0 BEADHO C[C@@H]1CN(CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000223221858 635363164 /nfs/dbraw/zinc/36/31/64/635363164.db2.gz DVTBGNYSBNZVBI-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000925882142 635610916 /nfs/dbraw/zinc/61/09/16/635610916.db2.gz XOPSCLFYSLDVBU-UONOGXRCSA-N 1 3 222.376 2.450 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219749412 632561366 /nfs/dbraw/zinc/56/13/66/632561366.db2.gz OZCISRRGALPMJP-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219749412 632561371 /nfs/dbraw/zinc/56/13/71/632561371.db2.gz OZCISRRGALPMJP-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](C)C[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219753363 632562376 /nfs/dbraw/zinc/56/23/76/632562376.db2.gz QHCBIGODYLZGAA-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@H](C)C[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219753363 632562383 /nfs/dbraw/zinc/56/23/83/632562383.db2.gz QHCBIGODYLZGAA-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO C[C@]1(C[NH3+])CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000235735146 632822855 /nfs/dbraw/zinc/82/28/55/632822855.db2.gz FIPXVRBDYOSUNV-MRXNPFEDSA-N 1 3 244.382 2.346 20 0 BEADHO CC(C)[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000166320976 633109978 /nfs/dbraw/zinc/10/99/78/633109978.db2.gz UHPWXOGUEXGRPN-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000166320976 633109982 /nfs/dbraw/zinc/10/99/82/633109982.db2.gz UHPWXOGUEXGRPN-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+]C2CCNCC2)s1 ZINC000070716127 636028015 /nfs/dbraw/zinc/02/80/15/636028015.db2.gz XZEGZEZOLFNFEG-JTQLQIEISA-N 1 3 238.400 2.329 20 0 BEADHO CC[C@H](C)C[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328239236 633747688 /nfs/dbraw/zinc/74/76/88/633747688.db2.gz AQORXONMTIEWKH-KQBRZWLDSA-N 1 3 236.403 2.397 20 0 BEADHO CC(C)CC[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328466387 633768270 /nfs/dbraw/zinc/76/82/70/633768270.db2.gz XIIMRIUWHVZLDD-GXYBRJDSSA-N 1 3 236.403 2.397 20 0 BEADHO CCC[C@H](CC)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328522011 633771890 /nfs/dbraw/zinc/77/18/90/633771890.db2.gz HLFORLNECHWHLP-VZKILSJISA-N 1 3 222.376 2.151 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H]1C ZINC000328558580 633775413 /nfs/dbraw/zinc/77/54/13/633775413.db2.gz CSLWPJKATYPEHG-XMMDLHNASA-N 1 3 248.414 2.397 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925503600 633830275 /nfs/dbraw/zinc/83/02/75/633830275.db2.gz KQIRACGWZXBUFZ-AGIUHOORSA-N 1 3 240.391 2.051 20 0 BEADHO CCCC[C@H](COC)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925503600 633830277 /nfs/dbraw/zinc/83/02/77/633830277.db2.gz KQIRACGWZXBUFZ-AGIUHOORSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1Cc2ccccc2C1 ZINC000925602210 634129095 /nfs/dbraw/zinc/12/90/95/634129095.db2.gz RLYYFKFPMNUXGD-BLLLJJGKSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@H]1C ZINC000252751886 634231189 /nfs/dbraw/zinc/23/11/89/634231189.db2.gz XCCWNUHXDJDGHV-ZOBORPQBSA-N 1 3 240.391 2.064 20 0 BEADHO FCCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925677636 634270302 /nfs/dbraw/zinc/27/03/02/634270302.db2.gz XFPHPFIXFLSYBI-ZIAGYGMSSA-N 1 3 242.382 2.494 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925772523 635213740 /nfs/dbraw/zinc/21/37/40/635213740.db2.gz IKFQXXZRABMWBB-HTOAHKCRSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CCCC[C@H]1C ZINC000925783656 635291224 /nfs/dbraw/zinc/29/12/24/635291224.db2.gz KOCIZMIMSLXSNA-XGFWRYKXSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338883 635299312 /nfs/dbraw/zinc/29/93/12/635299312.db2.gz CNATUTXXMAPJHG-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000094338968 635299432 /nfs/dbraw/zinc/29/94/32/635299432.db2.gz ZMRSGTGXXAFISQ-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCc2ccccc21 ZINC000925790908 635318939 /nfs/dbraw/zinc/31/89/39/635318939.db2.gz MZOQLMTZPAQCJR-ZLDLUXBVSA-N 1 3 230.355 2.119 20 0 BEADHO Cc1ccc(OCCN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163197842 636212826 /nfs/dbraw/zinc/21/28/26/636212826.db2.gz LLBUTRIDTFBXIY-ZIAGYGMSSA-N 1 3 248.370 2.043 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000450470905 636443255 /nfs/dbraw/zinc/44/32/55/636443255.db2.gz JJHLYVGQHMITLB-LLVKDONJSA-N 1 3 246.345 2.305 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450470905 636443258 /nfs/dbraw/zinc/44/32/58/636443258.db2.gz JJHLYVGQHMITLB-LLVKDONJSA-N 1 3 246.345 2.305 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000086402133 636886794 /nfs/dbraw/zinc/88/67/94/636886794.db2.gz YESDVVAXAQIFGE-UONOGXRCSA-N 1 3 218.344 2.355 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000086727888 636887805 /nfs/dbraw/zinc/88/78/05/636887805.db2.gz SJVXEZYSOZHYDR-KXUCPTDWSA-N 1 3 236.281 2.059 20 0 BEADHO FC(F)(F)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000086727457 636889782 /nfs/dbraw/zinc/88/97/82/636889782.db2.gz LLCPRBAJNQAQAY-UDNWOFFPSA-N 1 3 236.281 2.059 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCCC1 ZINC000924778469 637192419 /nfs/dbraw/zinc/19/24/19/637192419.db2.gz ORJCLCSFVXUFTP-PBWFPOADSA-N 1 3 222.376 2.106 20 0 BEADHO CC[C@H](C[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906516269 638186152 /nfs/dbraw/zinc/18/61/52/638186152.db2.gz AKNRPROZUPCGMU-MRVWCRGKSA-N 1 3 218.344 2.260 20 0 BEADHO CC[C@H](CN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906516269 638186155 /nfs/dbraw/zinc/18/61/55/638186155.db2.gz AKNRPROZUPCGMU-MRVWCRGKSA-N 1 3 218.344 2.260 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000906518500 638188179 /nfs/dbraw/zinc/18/81/79/638188179.db2.gz QMQCQKILQXJDPM-JOCQHMNTSA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906516960 638188393 /nfs/dbraw/zinc/18/83/93/638188393.db2.gz ALQBRKYXOMTMNY-UBHSHLNASA-N 1 3 218.344 2.260 20 0 BEADHO C[C@@H](CCN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906516960 638188396 /nfs/dbraw/zinc/18/83/96/638188396.db2.gz ALQBRKYXOMTMNY-UBHSHLNASA-N 1 3 218.344 2.260 20 0 BEADHO C[NH+]1C[C@@]2(C)CN(CCCCCF)C[C@]2(C)C1 ZINC000931313850 640150695 /nfs/dbraw/zinc/15/06/95/640150695.db2.gz GYKSFOBCNXWWQY-KBPBESRZSA-N 1 3 242.382 2.400 20 0 BEADHO C[C@@H](c1ccncc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439984 640205675 /nfs/dbraw/zinc/20/56/75/640205675.db2.gz RKVDPYZZOPBGED-AEGPPILISA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H](c1ccncc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439984 640205680 /nfs/dbraw/zinc/20/56/80/640205680.db2.gz RKVDPYZZOPBGED-AEGPPILISA-N 1 3 245.370 2.026 20 0 BEADHO CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931439741 640207781 /nfs/dbraw/zinc/20/77/81/640207781.db2.gz YRIZVRAFIVSCAM-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931439741 640207786 /nfs/dbraw/zinc/20/77/86/640207786.db2.gz YRIZVRAFIVSCAM-RWMBFGLXSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000931683203 640311560 /nfs/dbraw/zinc/31/15/60/640311560.db2.gz HKVUHGNJNLWFCL-STQMWFEESA-N 1 3 245.370 2.391 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000931683203 640311570 /nfs/dbraw/zinc/31/15/70/640311570.db2.gz HKVUHGNJNLWFCL-STQMWFEESA-N 1 3 245.370 2.391 20 0 BEADHO CC[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000166351830 640631958 /nfs/dbraw/zinc/63/19/58/640631958.db2.gz OCQSRSRIODELDZ-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000166351830 640631964 /nfs/dbraw/zinc/63/19/64/640631964.db2.gz OCQSRSRIODELDZ-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000227129180 640816293 /nfs/dbraw/zinc/81/62/93/640816293.db2.gz CCYUQOXJJFPZIR-CYZMBNFOSA-N 1 3 234.343 2.374 20 0 BEADHO C[C@@H](C[NH2+]CC(C)(C)C)CN1CCCC1 ZINC000062079211 641019649 /nfs/dbraw/zinc/01/96/49/641019649.db2.gz QTPMKOZJTPKPLX-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CCCC[N@H+](CC)C[C@@]1(C)CCCNC1 ZINC000062861726 641100266 /nfs/dbraw/zinc/10/02/66/641100266.db2.gz JRFNPJUSMKDFII-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CCCC[N@@H+](CC)C[C@@]1(C)CCCNC1 ZINC000062861726 641100269 /nfs/dbraw/zinc/10/02/69/641100269.db2.gz JRFNPJUSMKDFII-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CC[N@H+](CC(C)C)C[C@@]1(C)CCCNC1 ZINC000062861958 641101198 /nfs/dbraw/zinc/10/11/98/641101198.db2.gz ISWYBJZHEAJENM-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC[N@@H+](CC(C)C)C[C@@]1(C)CCCNC1 ZINC000062861958 641101200 /nfs/dbraw/zinc/10/12/00/641101200.db2.gz ISWYBJZHEAJENM-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)[N@H+](CC1CC1)C[C@@]1(C)CCCNC1 ZINC000062862762 641101319 /nfs/dbraw/zinc/10/13/19/641101319.db2.gz VNKORHZEFWNGCF-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[N@@H+](CC1CC1)C[C@@]1(C)CCCNC1 ZINC000062862762 641101322 /nfs/dbraw/zinc/10/13/22/641101322.db2.gz VNKORHZEFWNGCF-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](C1CC1)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862060 641101834 /nfs/dbraw/zinc/10/18/34/641101834.db2.gz NRYXWBRWGQJGMK-DGCLKSJQSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](C1CC1)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862060 641101838 /nfs/dbraw/zinc/10/18/38/641101838.db2.gz NRYXWBRWGQJGMK-DGCLKSJQSA-N 1 3 210.365 2.106 20 0 BEADHO C[N@H+](CC(C)(C)C)C[C@]1(C)CCCNC1 ZINC000062867737 641103946 /nfs/dbraw/zinc/10/39/46/641103946.db2.gz FVJRTXAQENZGRP-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO C[N@@H+](CC(C)(C)C)C[C@]1(C)CCCNC1 ZINC000062867737 641103949 /nfs/dbraw/zinc/10/39/49/641103949.db2.gz FVJRTXAQENZGRP-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CN(CC(C)(C)C)C[C@]1(C)CCC[NH2+]C1 ZINC000062867737 641103960 /nfs/dbraw/zinc/10/39/60/641103960.db2.gz FVJRTXAQENZGRP-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000173913403 641217995 /nfs/dbraw/zinc/21/79/95/641217995.db2.gz QYJWEFUKYRNNLM-LBPRGKRZSA-N 1 3 228.456 2.137 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000173913403 641217999 /nfs/dbraw/zinc/21/79/99/641217999.db2.gz QYJWEFUKYRNNLM-LBPRGKRZSA-N 1 3 228.456 2.137 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000934620999 641218644 /nfs/dbraw/zinc/21/86/44/641218644.db2.gz OHEBBIPKJBGJQK-HZSPNIEDSA-N 1 3 222.376 2.415 20 0 BEADHO CCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCC1 ZINC000232884538 642073056 /nfs/dbraw/zinc/07/30/56/642073056.db2.gz RNHBYXAFBASJEN-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO CCC(C)(C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000232891436 642160949 /nfs/dbraw/zinc/16/09/49/642160949.db2.gz FLHPKQCMIPVEEQ-ZDUSSCGKSA-N 1 3 212.381 2.402 20 0 BEADHO C[NH+](C)CCC1CCN(C/C=C\Cl)CC1 ZINC000918026472 642161274 /nfs/dbraw/zinc/16/12/74/642161274.db2.gz GVUXSEIJBSPUNF-CLTKARDFSA-N 1 3 230.783 2.403 20 0 BEADHO CC1(C[NH2+]C[C@@]2(C)CCCNC2)CCC1 ZINC000232897706 642202993 /nfs/dbraw/zinc/20/29/93/642202993.db2.gz BPJKYWHHAFEPOH-ZDUSSCGKSA-N 1 3 210.365 2.156 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN(CC)C1 ZINC000093066493 642455809 /nfs/dbraw/zinc/45/58/09/642455809.db2.gz KBXRDTDIEWVEPK-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CCCCN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000232954388 642637547 /nfs/dbraw/zinc/63/75/47/642637547.db2.gz HBEBFCYBMDANBF-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000232962047 642640048 /nfs/dbraw/zinc/64/00/48/642640048.db2.gz RKRZMJPEQLIEJF-UTUOFQBUSA-N 1 3 210.365 2.140 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+]CC(N)(CC)CC)C1(C)C ZINC000233764024 642692706 /nfs/dbraw/zinc/69/27/06/642692706.db2.gz KRWKKMIULPQXPY-NWDGAFQWSA-N 1 3 242.407 2.297 20 0 BEADHO CC[N@H+](CC1CC1)C[C@@]1(C)CCCNC1 ZINC000068947611 642814868 /nfs/dbraw/zinc/81/48/68/642814868.db2.gz YSOSVXWOLZAKGC-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@@H+](CC1CC1)C[C@@]1(C)CCCNC1 ZINC000068947611 642814871 /nfs/dbraw/zinc/81/48/71/642814871.db2.gz YSOSVXWOLZAKGC-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000248994560 643227211 /nfs/dbraw/zinc/22/72/11/643227211.db2.gz OKZHSXJEORXNTD-MGPQQGTHSA-N 1 3 238.375 2.142 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H]2CCC=CO2)C1 ZINC000248994560 643227220 /nfs/dbraw/zinc/22/72/20/643227220.db2.gz OKZHSXJEORXNTD-MGPQQGTHSA-N 1 3 238.375 2.142 20 0 BEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602689 643353668 /nfs/dbraw/zinc/35/36/68/643353668.db2.gz CSAOBKPONLOJBB-DGCLKSJQSA-N 1 3 238.400 2.492 20 0 BEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602689 643353674 /nfs/dbraw/zinc/35/36/74/643353674.db2.gz CSAOBKPONLOJBB-DGCLKSJQSA-N 1 3 238.400 2.492 20 0 BEADHO C[C@@H]1CC[C@H](C)C[N@H+]1CCCNC1CC1 ZINC000084046574 643643121 /nfs/dbraw/zinc/64/31/21/643643121.db2.gz MXNKIBCQPHNFAG-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@H](C)C[N@@H+]1CCCNC1CC1 ZINC000084046574 643643125 /nfs/dbraw/zinc/64/31/25/643643125.db2.gz MXNKIBCQPHNFAG-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@H](C)CN1CCC[NH2+]C1CC1 ZINC000084046574 643643128 /nfs/dbraw/zinc/64/31/28/643643128.db2.gz MXNKIBCQPHNFAG-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCC1 ZINC000084222016 643651891 /nfs/dbraw/zinc/65/18/91/643651891.db2.gz WTFHSDCPEGQPSB-NEPJUHHUSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000084215623 643651919 /nfs/dbraw/zinc/65/19/19/643651919.db2.gz AFTYHSVOQRRKDL-AAEUAGOBSA-N 1 3 238.400 2.398 20 0 BEADHO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000922140087 643869724 /nfs/dbraw/zinc/86/97/24/643869724.db2.gz NKCNZJDKEHEOEX-YNEHKIRRSA-N 1 3 244.448 2.448 20 0 BEADHO CCCCCC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294800 644332925 /nfs/dbraw/zinc/33/29/25/644332925.db2.gz QARUHDPJBQURNT-CYBMUJFWSA-N 1 3 244.423 2.234 20 0 BEADHO C[C@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1CN ZINC000923412715 644413760 /nfs/dbraw/zinc/41/37/60/644413760.db2.gz TUQLSRRWOHRZEL-GXTWGEPZSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1CN ZINC000923412715 644413765 /nfs/dbraw/zinc/41/37/65/644413765.db2.gz TUQLSRRWOHRZEL-GXTWGEPZSA-N 1 3 236.403 2.483 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CN1CC1CCC2(CC2)CC1 ZINC000923411282 644415148 /nfs/dbraw/zinc/41/51/48/644415148.db2.gz BZSHAZHMAKUXQQ-AAEUAGOBSA-N 1 3 222.376 2.378 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000084218728 644421105 /nfs/dbraw/zinc/42/11/05/644421105.db2.gz HAWQQMUODBFYJD-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO CC1(C)C(C[NH2+][C@H]2CCC[C@H]2CN)C1(C)C ZINC000086239371 644459453 /nfs/dbraw/zinc/45/94/53/644459453.db2.gz OPBQTRQDAUQQDK-QWRGUYRKSA-N 1 3 224.392 2.386 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000086402139 644465860 /nfs/dbraw/zinc/46/58/60/644465860.db2.gz YESDVVAXAQIFGE-KGLIPLIRSA-N 1 3 218.344 2.355 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000817980450 644992762 /nfs/dbraw/zinc/99/27/62/644992762.db2.gz VCVIKZDAGPSJRH-KGLIPLIRSA-N 1 3 248.370 2.400 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC=CC1 ZINC000926947884 645495789 /nfs/dbraw/zinc/49/57/89/645495789.db2.gz BSIQGBYKFIXQJL-YIONKMFJSA-N 1 3 234.387 2.273 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927121660 645557267 /nfs/dbraw/zinc/55/72/67/645557267.db2.gz NONUMSLJWMNZFG-LJIAPDMLSA-N 1 3 234.387 2.106 20 0 BEADHO CCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925496095 645935026 /nfs/dbraw/zinc/93/50/26/645935026.db2.gz XGYNIGQTQLGYKL-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO COCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000924536496 646054224 /nfs/dbraw/zinc/05/42/24/646054224.db2.gz PHUDGRFJSDDSHT-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCO[C@H](CCN[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925525547 646316523 /nfs/dbraw/zinc/31/65/23/646316523.db2.gz DACPRFZOXPYGMT-HZSPNIEDSA-N 1 3 242.407 2.168 20 0 BEADHO CCO[C@H](CCN[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000925525459 646316639 /nfs/dbraw/zinc/31/66/39/646316639.db2.gz DACPRFZOXPYGMT-BFHYXJOUSA-N 1 3 242.407 2.168 20 0 BEADHO C[C@H]([NH3+])[C@@H](NCC1CCOCC1)c1ccccc1 ZINC000925546366 646326344 /nfs/dbraw/zinc/32/63/44/646326344.db2.gz KHXIZYULRAQXMP-SWLSCSKDSA-N 1 3 248.370 2.091 20 0 BEADHO CS[C@@H](C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925588369 646349054 /nfs/dbraw/zinc/34/90/54/646349054.db2.gz WJIZYLZXXSDAMR-USZNOCQGSA-N 1 3 242.432 2.104 20 0 BEADHO CS[C@@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925588369 646349059 /nfs/dbraw/zinc/34/90/59/646349059.db2.gz WJIZYLZXXSDAMR-USZNOCQGSA-N 1 3 242.432 2.104 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCCc2ccco2)C1 ZINC000925611291 646360541 /nfs/dbraw/zinc/36/05/41/646360541.db2.gz LUICVKWAQFABPO-NWDGAFQWSA-N 1 3 236.359 2.318 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000925619335 646367400 /nfs/dbraw/zinc/36/74/00/646367400.db2.gz MRXTYNIINVICLO-MQYQWHSLSA-N 1 3 234.387 2.461 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C12CCC(CC1)C2 ZINC000925624986 646371425 /nfs/dbraw/zinc/37/14/25/646371425.db2.gz FJRBIPFOJONXDT-JDNGBHBRSA-N 1 3 246.398 2.153 20 0 BEADHO Cc1cncc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925629718 646373609 /nfs/dbraw/zinc/37/36/09/646373609.db2.gz NLSKUEAOQWTIMX-KBPBESRZSA-N 1 3 247.386 2.386 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000925689431 646416942 /nfs/dbraw/zinc/41/69/42/646416942.db2.gz GTSBBGMPPPCKFB-AICCOOGYSA-N 1 3 248.414 2.399 20 0 BEADHO CC[C@@H](C)CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925703991 646428883 /nfs/dbraw/zinc/42/88/83/646428883.db2.gz GGLPADKRRQASEB-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](C)CC[NH2+][C@H]1CCNC12CCC2 ZINC000925703989 646429711 /nfs/dbraw/zinc/42/97/11/646429711.db2.gz GGLPADKRRQASEB-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C1=C[C@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925708684 646432908 /nfs/dbraw/zinc/43/29/08/646432908.db2.gz CZMUKHXBKTXYQL-ZNMIVQPWSA-N 1 3 234.387 2.463 20 0 BEADHO C1=C[C@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925708684 646432912 /nfs/dbraw/zinc/43/29/12/646432912.db2.gz CZMUKHXBKTXYQL-ZNMIVQPWSA-N 1 3 234.387 2.463 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000925708054 646432931 /nfs/dbraw/zinc/43/29/31/646432931.db2.gz RCJKCVXVUJPJDT-FDFVQJQPSA-N 1 3 234.387 2.151 20 0 BEADHO CC1(C)[C@H]([NH2+]C[C@H]2C=CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925731014 646454632 /nfs/dbraw/zinc/45/46/32/646454632.db2.gz IURIOVSCAXCGHD-RFQIPJPRSA-N 1 3 234.387 2.319 20 0 BEADHO CC[C@@H](NCC[C@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000925773690 646472165 /nfs/dbraw/zinc/47/21/65/646472165.db2.gz FNUOYXRBACWPRI-MCIONIFRSA-N 1 3 240.391 2.066 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CC1(C)C ZINC000925782483 646479173 /nfs/dbraw/zinc/47/91/73/646479173.db2.gz GPTYSDYTAUYRCA-WISYIIOYSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000925787609 646482510 /nfs/dbraw/zinc/48/25/10/646482510.db2.gz YVWHUIUXDIOORA-KGYLQXTDSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCCC1 ZINC000925787609 646482514 /nfs/dbraw/zinc/48/25/14/646482514.db2.gz YVWHUIUXDIOORA-KGYLQXTDSA-N 1 3 210.365 2.153 20 0 BEADHO CSCC1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC000925787658 646482683 /nfs/dbraw/zinc/48/26/83/646482683.db2.gz ZXWWKZHVKRSWQO-IKWCTNDRSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CCS1 ZINC000925855534 646511038 /nfs/dbraw/zinc/51/10/38/646511038.db2.gz CQBYPLJGHDSAMS-DDHJBXDOSA-N 1 3 228.405 2.001 20 0 BEADHO C1CC2(C1)C[C@@H]([NH2+]C1CCNCC1)CCS2 ZINC000925861820 646515133 /nfs/dbraw/zinc/51/51/33/646515133.db2.gz TYQOITCQOQSPPX-LBPRGKRZSA-N 1 3 240.416 2.146 20 0 BEADHO CC(C)C1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396703515 711703382 /nfs/dbraw/zinc/70/33/82/711703382.db2.gz LUUKNPROTGXGES-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCCC12CC2)N(C)C ZINC000706614981 712151340 /nfs/dbraw/zinc/15/13/40/712151340.db2.gz MSQHNQAZLMHSKW-NWDGAFQWSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](NC[C@H]1C=CCC1)[C@H]1CCCC[NH2+]1 ZINC000711719200 712319231 /nfs/dbraw/zinc/31/92/31/712319231.db2.gz LTDYEMPQCXLTDJ-RWMBFGLXSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@]1(C[NH3+])CCN(C[C@H]2CCCC(C)(C)O2)C1 ZINC000714375223 712484361 /nfs/dbraw/zinc/48/43/61/712484361.db2.gz SEHQGDIAUYSEIS-TZMCWYRMSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCN(CCCC(C)(F)F)C[C@H]1C[NH3+] ZINC000718570261 712775190 /nfs/dbraw/zinc/77/51/90/712775190.db2.gz JJFKHMLOJIXFSL-GHMZBOCLSA-N 1 3 234.334 2.339 20 0 BEADHO COCC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000718669127 712776717 /nfs/dbraw/zinc/77/67/17/712776717.db2.gz YWBVHJRVHODQQG-STQMWFEESA-N 1 3 242.407 2.156 20 0 BEADHO CCN(CC)CCC[NH2+]C1CC(C(F)F)C1 ZINC000381750540 710701544 /nfs/dbraw/zinc/70/15/44/710701544.db2.gz RAGBTMGROMKLNL-UHFFFAOYSA-N 1 3 234.334 2.352 20 0 BEADHO CCN1CC[C@H](C[NH2+]C[C@@]2(C)CCCS2)C1 ZINC000382099356 710776636 /nfs/dbraw/zinc/77/66/36/710776636.db2.gz BEMFWOOQCJTESA-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000383994983 710987452 /nfs/dbraw/zinc/98/74/52/710987452.db2.gz AATPGSLGIGAVAH-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000383994983 710987456 /nfs/dbraw/zinc/98/74/56/710987456.db2.gz AATPGSLGIGAVAH-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385486677 711013335 /nfs/dbraw/zinc/01/33/35/711013335.db2.gz HETWZSJHWLNYBP-KDELZDPKSA-N 1 3 248.414 2.399 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000385545750 711015208 /nfs/dbraw/zinc/01/52/08/711015208.db2.gz VPEIMWPIDQVPMU-UQYNZRTDSA-N 1 3 248.414 2.399 20 0 BEADHO C[C@H](NCCC1CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386139954 711024000 /nfs/dbraw/zinc/02/40/00/711024000.db2.gz QGBISVJWMRZENV-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@@H]1C)CN1CCCCC1 ZINC000390459379 711119342 /nfs/dbraw/zinc/11/93/42/711119342.db2.gz BLSZFNDEDZPRQJ-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C)(C)C ZINC000392940425 711155167 /nfs/dbraw/zinc/15/51/67/711155167.db2.gz ZVXFSTBTWMBYRK-WFQJECDVSA-N 1 3 236.403 2.255 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCCC1 ZINC000383232510 711481824 /nfs/dbraw/zinc/48/18/24/711481824.db2.gz BNUYGRPQEJXIQG-XPABHHOTSA-N 1 3 234.387 2.153 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]1CCN ZINC000723081283 711501230 /nfs/dbraw/zinc/50/12/30/711501230.db2.gz UIEBQOGSYPRRCZ-AGIUHOORSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1CCN ZINC000723081283 711501231 /nfs/dbraw/zinc/50/12/31/711501231.db2.gz UIEBQOGSYPRRCZ-AGIUHOORSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1CN ZINC000723862701 711539725 /nfs/dbraw/zinc/53/97/25/711539725.db2.gz QSJAIXGKHHEXPK-AAVRWANBSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2C)C[C@H]1CN ZINC000723862701 711539726 /nfs/dbraw/zinc/53/97/26/711539726.db2.gz QSJAIXGKHHEXPK-AAVRWANBSA-N 1 3 224.392 2.339 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724200690 711568895 /nfs/dbraw/zinc/56/88/95/711568895.db2.gz PVVAMQJWJUCGMC-QWHCGFSZSA-N 1 3 208.349 2.060 20 0 BEADHO C[C@H](NCCC1CC=CC1)[C@H]1CCCC[NH2+]1 ZINC000724202160 711569916 /nfs/dbraw/zinc/56/99/16/711569916.db2.gz KHSIIVFFKPGGOB-GXTWGEPZSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383374306 711646043 /nfs/dbraw/zinc/64/60/43/711646043.db2.gz ZNXOWAFXCQOQNO-QLMDPUNJSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383104492 711668075 /nfs/dbraw/zinc/66/80/75/711668075.db2.gz CSVRDWRYGUNIQM-NIDFBQPUSA-N 1 3 234.387 2.009 20 0 BEADHO CN(CCCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000394603599 711707282 /nfs/dbraw/zinc/70/72/82/711707282.db2.gz JNUUWZUTOPTNQP-PBWFPOADSA-N 1 3 222.376 2.391 20 0 BEADHO CSC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000229083520 711837461 /nfs/dbraw/zinc/83/74/61/711837461.db2.gz DKWQBQAFSMAKRA-WDEREUQCSA-N 1 3 230.421 2.235 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700799733 712006042 /nfs/dbraw/zinc/00/60/42/712006042.db2.gz LLUCWCFAKHKZPA-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000702092221 712038867 /nfs/dbraw/zinc/03/88/67/712038867.db2.gz CTBGCOUXGJEDIO-VNQPRFMTSA-N 1 3 244.382 2.331 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704797962 712117643 /nfs/dbraw/zinc/11/76/43/712117643.db2.gz OHMRMFJRKQRKCX-AVGNSLFASA-N 1 3 242.432 2.237 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706816283 712156357 /nfs/dbraw/zinc/15/63/57/712156357.db2.gz RRMSDNBDIIMBKN-HIFPTAJRSA-N 1 3 242.432 2.202 20 0 BEADHO CSC1CC([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000706885881 712158810 /nfs/dbraw/zinc/15/88/10/712158810.db2.gz PJGSNSNNUFIAPU-HIFPTAJRSA-N 1 3 242.432 2.202 20 0 BEADHO CSC1CC([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000706920671 712160983 /nfs/dbraw/zinc/16/09/83/712160983.db2.gz XJZQLFJWWPIFQW-HIFPTAJRSA-N 1 3 242.432 2.200 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CC(C)(C)OC1(C)C ZINC000709698152 712216046 /nfs/dbraw/zinc/21/60/46/712216046.db2.gz YTUXCMXFSCHOCV-GFCCVEGCSA-N 1 3 242.407 2.121 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712642610 712439249 /nfs/dbraw/zinc/43/92/49/712439249.db2.gz NDMSPCXXLAIFDJ-HZSPNIEDSA-N 1 3 236.403 2.400 20 0 BEADHO c1ccc(C[N@@H+]2CCNCCC23CCC3)cc1 ZINC000713205901 712454953 /nfs/dbraw/zinc/45/49/53/712454953.db2.gz ZLAXEWMGPHGCFH-UHFFFAOYSA-N 1 3 230.355 2.405 20 0 BEADHO c1ccc(C[N@H+]2CCNCCC23CCC3)cc1 ZINC000713205901 712454955 /nfs/dbraw/zinc/45/49/55/712454955.db2.gz ZLAXEWMGPHGCFH-UHFFFAOYSA-N 1 3 230.355 2.405 20 0 BEADHO C=C/C=C/CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000713753761 712470924 /nfs/dbraw/zinc/47/09/24/712470924.db2.gz FGBIVYHQVQOHEB-MIACCPTJSA-N 1 3 222.376 2.424 20 0 BEADHO C=C/C=C/CC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000713753761 712470926 /nfs/dbraw/zinc/47/09/26/712470926.db2.gz FGBIVYHQVQOHEB-MIACCPTJSA-N 1 3 222.376 2.424 20 0 BEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000717307419 712646421 /nfs/dbraw/zinc/64/64/21/712646421.db2.gz MKNUVECSXAWZLO-GFCCVEGCSA-N 1 3 240.297 2.021 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C)C1 ZINC000379998804 712651678 /nfs/dbraw/zinc/65/16/78/712651678.db2.gz LIUIRKUBVWPABZ-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO C1=CCCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000718098094 712742701 /nfs/dbraw/zinc/74/27/01/712742701.db2.gz LSIOTDZKJQJJMA-XSXPHNMFSA-N 1 3 232.371 2.071 20 0 BEADHO CN1CCC[C@@H](C[NH+]2CCC3(CC3)CC2)C1 ZINC001208605995 957095689 /nfs/dbraw/zinc/09/56/89/957095689.db2.gz CVIXUUSBXIUBTH-CYBMUJFWSA-N 1 3 222.376 2.204 20 0 BEADHO C[C@H]1CCC[N@H+](CCNc2ccncc2)C1 ZINC000309803136 960128442 /nfs/dbraw/zinc/12/84/42/960128442.db2.gz ROBHYPTUJPTMTE-LBPRGKRZSA-N 1 3 219.332 2.225 20 0 BEADHO C[C@H]1CCC[N@@H+](CCNc2ccncc2)C1 ZINC000309803136 960128450 /nfs/dbraw/zinc/12/84/50/960128450.db2.gz ROBHYPTUJPTMTE-LBPRGKRZSA-N 1 3 219.332 2.225 20 0 BEADHO C[C@H]1C[C@@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC000709465052 960608857 /nfs/dbraw/zinc/60/88/57/960608857.db2.gz NTKHILQHDOVNNL-GWCFXTLKSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC000709465052 960608866 /nfs/dbraw/zinc/60/88/66/960608866.db2.gz NTKHILQHDOVNNL-GWCFXTLKSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCN2C)C1 ZINC000710448753 962382786 /nfs/dbraw/zinc/38/27/86/962382786.db2.gz ZTNXAKBDJYQRAY-UPJWGTAASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C)C1)N(C)C ZINC000697878753 964603381 /nfs/dbraw/zinc/60/33/81/964603381.db2.gz LMQCEVGFNWGBSM-JHJVBQTASA-N 1 3 212.381 2.495 20 0 BEADHO Cc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000697886875 964633569 /nfs/dbraw/zinc/63/35/69/964633569.db2.gz IWUGWKZIDJDNJG-ZDUSSCGKSA-N 1 3 220.360 2.425 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCC3)[C@@H]2C1 ZINC001204089353 966889321 /nfs/dbraw/zinc/88/93/21/966889321.db2.gz MGVNUHXCBGEYHC-YNEHKIRRSA-N 1 3 222.376 2.106 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN2CC[C@@](C)([NH3+])C2)CC1 ZINC001204762771 967152223 /nfs/dbraw/zinc/15/22/23/967152223.db2.gz DFNNKZOISLXKRU-BFHYXJOUSA-N 1 3 222.376 2.402 20 0 BEADHO CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001205088989 967342013 /nfs/dbraw/zinc/34/20/13/967342013.db2.gz VABXLTBZTJSZLW-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@@H](C[N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001205088989 967342021 /nfs/dbraw/zinc/34/20/21/967342021.db2.gz VABXLTBZTJSZLW-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO C[NH+]1CCC(CN2CC3(C2)CC(F)(F)C3)CC1 ZINC001207391277 968748030 /nfs/dbraw/zinc/74/80/30/968748030.db2.gz AUFCEUZAKXFCBB-UHFFFAOYSA-N 1 3 244.329 2.059 20 0 BEADHO CCC[C@@H](C)[N@H+](C)C[C@@H](CN)C(C)C ZINC000083607068 1166113519 /nfs/dbraw/zinc/11/35/19/1166113519.db2.gz RLLBTDJMDAJQOX-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO CCC[C@@H](C)[N@@H+](C)C[C@@H](CN)C(C)C ZINC000083607068 1166113520 /nfs/dbraw/zinc/11/35/20/1166113520.db2.gz RLLBTDJMDAJQOX-VXGBXAGGSA-N 1 3 200.370 2.338 20 0 BEADHO C[C@@H]([NH3+])c1cccc(C2=CCCN(C)C2)c1 ZINC001241570825 969068267 /nfs/dbraw/zinc/06/82/67/969068267.db2.gz OCEPQELISFDSRF-LLVKDONJSA-N 1 3 216.328 2.425 20 0 BEADHO C[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609273 969149177 /nfs/dbraw/zinc/14/91/77/969149177.db2.gz ZYJZLEJZRJHNIO-NWDGAFQWSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609273 969149185 /nfs/dbraw/zinc/14/91/85/969149185.db2.gz ZYJZLEJZRJHNIO-NWDGAFQWSA-N 1 3 246.345 2.305 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[N@H+](C)CCCN ZINC000227744766 1166308241 /nfs/dbraw/zinc/30/82/41/1166308241.db2.gz NYICZAMSKZTNLI-NEPJUHHUSA-N 1 3 200.370 2.482 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[N@@H+](C)CCCN ZINC000227744766 1166308249 /nfs/dbraw/zinc/30/82/49/1166308249.db2.gz NYICZAMSKZTNLI-NEPJUHHUSA-N 1 3 200.370 2.482 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(F)cc2)C12CCC2 ZINC000405201591 1166404345 /nfs/dbraw/zinc/40/43/45/1166404345.db2.gz CVSATXQTDRYVJX-UONOGXRCSA-N 1 3 248.345 2.228 20 0 BEADHO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC000252935577 1166427732 /nfs/dbraw/zinc/42/77/32/1166427732.db2.gz FMAHAOQRSOBZIB-JHJVBQTASA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC000252935577 1166427735 /nfs/dbraw/zinc/42/77/35/1166427735.db2.gz FMAHAOQRSOBZIB-JHJVBQTASA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)[C@H](C)C1 ZINC000252961212 1166461270 /nfs/dbraw/zinc/46/12/70/1166461270.db2.gz VELJTGIBRWVDFS-FDYHWXHSSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)[C@H](C)C1 ZINC000252961212 1166461273 /nfs/dbraw/zinc/46/12/73/1166461273.db2.gz VELJTGIBRWVDFS-FDYHWXHSSA-N 1 3 210.365 2.247 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCCC(C)(C)O ZINC001255948163 970583365 /nfs/dbraw/zinc/58/33/65/970583365.db2.gz GKHDVDIIFZPEBB-CYBMUJFWSA-N 1 3 244.423 2.248 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001255954368 970590053 /nfs/dbraw/zinc/59/00/53/970590053.db2.gz VOZQLFCSAXSRIX-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000925784863 1166833589 /nfs/dbraw/zinc/83/35/89/1166833589.db2.gz OIDHSXDPFVAVLJ-YIYPIFLZSA-N 1 3 224.392 2.399 20 0 BEADHO [NH2+]=CNc1ccc(F)c(CN2CCCC2)c1 ZINC001167871657 1166878441 /nfs/dbraw/zinc/87/84/41/1166878441.db2.gz UOWVHOBJSFKOHF-UHFFFAOYSA-N 1 3 221.279 2.440 20 0 BEADHO C[C@@]1([NH3+])CCN(C2CCC(C)(C)CC2)C1 ZINC000405857182 1166888530 /nfs/dbraw/zinc/88/85/30/1166888530.db2.gz OOIOJLWFIOERNB-CYBMUJFWSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318483 1166911087 /nfs/dbraw/zinc/91/10/87/1166911087.db2.gz BWBHUZCCDWLWFP-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CCC3(CCCC3)C2)CCN1 ZINC000304318483 1166911095 /nfs/dbraw/zinc/91/10/95/1166911095.db2.gz BWBHUZCCDWLWFP-QWHCGFSZSA-N 1 3 222.376 2.393 20 0 BEADHO CCC[N@H+](CC(C)C)[C@H]1CCN[C@@H](C)C1 ZINC000308804538 1167201868 /nfs/dbraw/zinc/20/18/68/1167201868.db2.gz AGLFTHMQEWJUPQ-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO CCC[N@@H+](CC(C)C)[C@H]1CCN[C@@H](C)C1 ZINC000308804538 1167201873 /nfs/dbraw/zinc/20/18/73/1167201873.db2.gz AGLFTHMQEWJUPQ-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO C[NH2+]CCCN(C)CCC1=CCCCC1 ZINC000385107384 1167384747 /nfs/dbraw/zinc/38/47/47/1167384747.db2.gz CFCYDGNGMXJQAE-UHFFFAOYSA-N 1 3 210.365 2.418 20 0 BEADHO CC[C@H](C)[C@H](CNC[C@]1(C)CCC[NH2+]C1)OC ZINC000381381337 1167547593 /nfs/dbraw/zinc/54/75/93/1167547593.db2.gz LNRPYBLMNRXGIA-MELADBBJSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235410497 979040560 /nfs/dbraw/zinc/04/05/60/979040560.db2.gz YGCVCCVTOMHDNB-KBPBESRZSA-N 1 3 242.382 2.446 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235410497 979040564 /nfs/dbraw/zinc/04/05/64/979040564.db2.gz YGCVCCVTOMHDNB-KBPBESRZSA-N 1 3 242.382 2.446 20 0 BEADHO CCC1CCC([N@H+]2C[C@H]3CNCC[C@@H]3C2)CC1 ZINC000310528332 1168239008 /nfs/dbraw/zinc/23/90/08/1168239008.db2.gz NMNBTCYWFBRTIS-PIOWNMBXSA-N 1 3 236.403 2.497 20 0 BEADHO CCC1CCC([N@@H+]2C[C@H]3CNCC[C@@H]3C2)CC1 ZINC000310528332 1168239016 /nfs/dbraw/zinc/23/90/16/1168239016.db2.gz NMNBTCYWFBRTIS-PIOWNMBXSA-N 1 3 236.403 2.497 20 0 BEADHO CCC1CCC([N@@H+]2C[C@H]3CCNC[C@H]3C2)CC1 ZINC000310528323 1168240504 /nfs/dbraw/zinc/24/05/04/1168240504.db2.gz NMNBTCYWFBRTIS-FUUBYGMNSA-N 1 3 236.403 2.497 20 0 BEADHO CCC1CCC([N@H+]2C[C@H]3CCNC[C@H]3C2)CC1 ZINC000310528323 1168240513 /nfs/dbraw/zinc/24/05/13/1168240513.db2.gz NMNBTCYWFBRTIS-FUUBYGMNSA-N 1 3 236.403 2.497 20 0 BEADHO CCC(CC)[N@H+](CC)C[C@@H]1CCCNC1 ZINC000232893572 1168462943 /nfs/dbraw/zinc/46/29/43/1168462943.db2.gz ZLSKMBZYXOXMDB-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(CC)[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000232893572 1168462948 /nfs/dbraw/zinc/46/29/48/1168462948.db2.gz ZLSKMBZYXOXMDB-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)CC[N@@H+]1CCC[C@]12CCCNC2 ZINC000257685171 1168588299 /nfs/dbraw/zinc/58/82/99/1168588299.db2.gz LZYRPRQFRTXESR-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)CC[N@H+]1CCC[C@]12CCCNC2 ZINC000257685171 1168588306 /nfs/dbraw/zinc/58/83/06/1168588306.db2.gz LZYRPRQFRTXESR-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CC(C)CCN1CCC[C@]12CCC[NH2+]C2 ZINC000257685171 1168588313 /nfs/dbraw/zinc/58/83/13/1168588313.db2.gz LZYRPRQFRTXESR-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752858 1168591491 /nfs/dbraw/zinc/59/14/91/1168591491.db2.gz KXRQJFKTFORZBU-KHMAMNHCSA-N 1 3 248.414 2.305 20 0 BEADHO CN1CC[C@@H]2C[N@H+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752858 1168591500 /nfs/dbraw/zinc/59/15/00/1168591500.db2.gz KXRQJFKTFORZBU-KHMAMNHCSA-N 1 3 248.414 2.305 20 0 BEADHO Cc1cccc2c1CC[C@H](N[C@H]1C[C@@](C)([NH3+])C1)C2 ZINC001246457098 1168638457 /nfs/dbraw/zinc/63/84/57/1168638457.db2.gz CGKYHNBTNKILDK-OFQRWUPVSA-N 1 3 244.382 2.322 20 0 BEADHO Cc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@@](C)(N)C1)C2 ZINC001246457098 1168638458 /nfs/dbraw/zinc/63/84/58/1168638458.db2.gz CGKYHNBTNKILDK-OFQRWUPVSA-N 1 3 244.382 2.322 20 0 BEADHO CCN1C[C@@H](C)N(c2cc[nH+]cc2)C[C@H]1C ZINC001354019632 983117475 /nfs/dbraw/zinc/11/74/75/983117475.db2.gz UBOVYSZGSRIGEY-VXGBXAGGSA-N 1 3 219.332 2.001 20 0 BEADHO C[C@@H](Cc1ccco1)[NH2+]CC1(N)CCCC1 ZINC000042594171 1169086659 /nfs/dbraw/zinc/08/66/59/1169086659.db2.gz LTYOXJFFDQYUEH-NSHDSACASA-N 1 3 222.332 2.072 20 0 BEADHO CC1(CN)C[NH+]([C@H]2CCCC(C)(C)C2)C1 ZINC001246602171 973022918 /nfs/dbraw/zinc/02/29/18/973022918.db2.gz VZOFULYFSICERK-NSHDSACASA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cnccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159107922 1169435867 /nfs/dbraw/zinc/43/58/67/1169435867.db2.gz YSKVGTGQXIOILE-UHFFFAOYSA-N 1 3 239.322 2.201 20 0 BEADHO C[NH2+][C@H](C)CCN[C@@H](C)Cc1ccsc1 ZINC001329023477 973434839 /nfs/dbraw/zinc/43/48/39/973434839.db2.gz IMFQIFJRIYCTRR-MNOVXSKESA-N 1 3 226.389 2.267 20 0 BEADHO [NH3+]C[C@@H]1CN(CC2CCCCC2)CCC1(F)F ZINC000403216030 970896069 /nfs/dbraw/zinc/89/60/69/970896069.db2.gz GOKPBAVOFQTDOU-GFCCVEGCSA-N 1 3 246.345 2.483 20 0 BEADHO CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677938 970916321 /nfs/dbraw/zinc/91/63/21/970916321.db2.gz QXTJQXAGOMXCCF-UHFFFAOYSA-N 1 3 240.391 2.020 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403392299 970928716 /nfs/dbraw/zinc/92/87/16/970928716.db2.gz QPXARSHGXNAMCL-QMCPMGKZSA-N 1 3 246.398 2.009 20 0 BEADHO CCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257321127 971220990 /nfs/dbraw/zinc/22/09/90/971220990.db2.gz YRIZVRAFIVSCAM-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO CCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257321127 971220997 /nfs/dbraw/zinc/22/09/97/971220997.db2.gz YRIZVRAFIVSCAM-UPJWGTAASA-N 1 3 210.365 2.059 20 0 BEADHO [NH3+][C@H]1C[C@H](NCC2=CCCCC2)C12CCC2 ZINC000405257366 971223141 /nfs/dbraw/zinc/22/31/41/971223141.db2.gz LKAUNZBIGAYWRC-STQMWFEESA-N 1 3 220.360 2.346 20 0 BEADHO N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC000405257366 971223150 /nfs/dbraw/zinc/22/31/50/971223150.db2.gz LKAUNZBIGAYWRC-STQMWFEESA-N 1 3 220.360 2.346 20 0 BEADHO CCC[C@H](C)[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001257327067 971227028 /nfs/dbraw/zinc/22/70/28/971227028.db2.gz GEVPISPEIPQVKA-BFHYXJOUSA-N 1 3 224.392 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1 ZINC001257355253 971271127 /nfs/dbraw/zinc/27/11/27/971271127.db2.gz SHRANNRJCPDDJE-BETUJISGSA-N 1 3 222.376 2.203 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC001257355253 971271129 /nfs/dbraw/zinc/27/11/29/971271129.db2.gz SHRANNRJCPDDJE-BETUJISGSA-N 1 3 222.376 2.203 20 0 BEADHO CCCCN(C)CCC[NH2+][C@@H](C)CC ZINC001257429270 971333580 /nfs/dbraw/zinc/33/35/80/971333580.db2.gz MDKFZLIWKVZRFU-LBPRGKRZSA-N 1 3 200.370 2.497 20 0 BEADHO CC[C@H](C)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001257446903 971362702 /nfs/dbraw/zinc/36/27/02/971362702.db2.gz SFNSDYVVLWBOLX-NSHDSACASA-N 1 3 210.365 2.344 20 0 BEADHO CN1CC[C@@H]2C[N@@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257458116 971379716 /nfs/dbraw/zinc/37/97/16/971379716.db2.gz QTPXLFGMUZHFKI-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CC[C@@H]2C[N@H+](C3CCCCC3)C[C@@H]2C1 ZINC001257458116 971379724 /nfs/dbraw/zinc/37/97/24/971379724.db2.gz QTPXLFGMUZHFKI-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO CC(C)CN1CCC([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001258002781 971555801 /nfs/dbraw/zinc/55/58/01/971555801.db2.gz DKWOZOXGACYZQD-JOCQHMNTSA-N 1 3 242.382 2.445 20 0 BEADHO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc2c1CNC2 ZINC001217992405 971561553 /nfs/dbraw/zinc/56/15/53/971561553.db2.gz RHTLLSZMGAJANR-BXUZGUMPSA-N 1 3 246.354 2.057 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CCOC ZINC000309654799 971723584 /nfs/dbraw/zinc/72/35/84/971723584.db2.gz PHCHBOQBUATWPV-OLZOCXBDSA-N 1 3 230.396 2.121 20 0 BEADHO CC1(C)[C@@H]2C[C@@H](N[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001246089287 972142998 /nfs/dbraw/zinc/14/29/98/972142998.db2.gz BXGYQIFFZOUUMM-ZDEQEGDKSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CNC[C@H]1[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001246116499 972178922 /nfs/dbraw/zinc/17/89/22/972178922.db2.gz MRTLBRBZQWCLME-ZDEQEGDKSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CNC[C@@H]1C ZINC001246113526 972176475 /nfs/dbraw/zinc/17/64/75/972176475.db2.gz BZPHTLXVGIGPLH-ZDEQEGDKSA-N 1 3 212.381 2.399 20 0 BEADHO CSC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000300797072 957048459 /nfs/dbraw/zinc/04/84/59/957048459.db2.gz DVECYADFJNMLDU-ZDUSSCGKSA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1CCc2cccc(F)c2C1 ZINC001246313139 972272345 /nfs/dbraw/zinc/27/23/45/972272345.db2.gz JELPRQPPPPJQMM-NWDGAFQWSA-N 1 3 236.334 2.010 20 0 BEADHO CCc1ccc(C[C@H](C)[NH2+][C@H]2CC23CNC3)cc1 ZINC001246443977 972315416 /nfs/dbraw/zinc/31/54/16/972315416.db2.gz IWHVKVCLKTWVFH-WFASDCNBSA-N 1 3 244.382 2.132 20 0 BEADHO C1[C@H]([NH2+]C2CCC3(CCCC3)CC2)C12CNC2 ZINC001246444295 972317309 /nfs/dbraw/zinc/31/73/09/972317309.db2.gz JYWOWXPTXCBDCT-ZDUSSCGKSA-N 1 3 234.387 2.441 20 0 BEADHO C1[C@H](NC2CCC3(CCCC3)CC2)C12C[NH2+]C2 ZINC001246444295 972317311 /nfs/dbraw/zinc/31/73/11/972317311.db2.gz JYWOWXPTXCBDCT-ZDUSSCGKSA-N 1 3 234.387 2.441 20 0 BEADHO CN(C)CCC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC001137022021 972329867 /nfs/dbraw/zinc/32/98/67/972329867.db2.gz LXBPDGSEZVFNNP-UHFFFAOYSA-N 1 3 248.370 2.100 20 0 BEADHO CN(C)CCC[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC001137022021 972329875 /nfs/dbraw/zinc/32/98/75/972329875.db2.gz LXBPDGSEZVFNNP-UHFFFAOYSA-N 1 3 248.370 2.100 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC000707627663 958636948 /nfs/dbraw/zinc/63/69/48/958636948.db2.gz RRRVYQWPEYYIDB-VXGBXAGGSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC23CCCC3)CCN1 ZINC000707627663 958636957 /nfs/dbraw/zinc/63/69/57/958636957.db2.gz RRRVYQWPEYYIDB-VXGBXAGGSA-N 1 3 208.349 2.145 20 0 BEADHO [NH3+]CC[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000690738452 958856376 /nfs/dbraw/zinc/85/63/76/958856376.db2.gz HPIUWMWPCARBOS-SNVBAGLBSA-N 1 3 240.297 2.136 20 0 BEADHO C[C@@H](Cc1ccccn1)[NH2+]CC[C@@H]1CCCN1C ZINC000707961860 958880083 /nfs/dbraw/zinc/88/00/83/958880083.db2.gz VMONDLYLFQKGSE-ZFWWWQNUSA-N 1 3 247.386 2.087 20 0 BEADHO Cc1cccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000405277430 959428148 /nfs/dbraw/zinc/42/81/48/959428148.db2.gz XSQZRAUPZPFBKA-LSDHHAIUSA-N 1 3 244.382 2.397 20 0 BEADHO [NH3+]CC1(F)CCN(Cc2cccc(F)c2)CC1 ZINC001222531407 972547059 /nfs/dbraw/zinc/54/70/59/972547059.db2.gz BQILMCDGNCNLDA-UHFFFAOYSA-N 1 3 240.297 2.089 20 0 BEADHO CCCCC[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000694515168 959897172 /nfs/dbraw/zinc/89/71/72/959897172.db2.gz MLUWYPPXNULYBF-HIFPTAJRSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CC[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC000708863265 959986310 /nfs/dbraw/zinc/98/63/10/959986310.db2.gz NBRVWLZDDNQPIM-LOWDOPEQSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC000708863265 959986319 /nfs/dbraw/zinc/98/63/19/959986319.db2.gz NBRVWLZDDNQPIM-LOWDOPEQSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H](N2CCCC(F)(F)CC2)CC[NH2+]1 ZINC000702795776 960305067 /nfs/dbraw/zinc/30/50/67/960305067.db2.gz CHWSYCCGNRHLSC-MNOVXSKESA-N 1 3 232.318 2.248 20 0 BEADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654756 960328471 /nfs/dbraw/zinc/32/84/71/960328471.db2.gz JGADJIDWGKDPFY-WDEREUQCSA-N 1 3 242.794 2.220 20 0 BEADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654756 960328484 /nfs/dbraw/zinc/32/84/84/960328484.db2.gz JGADJIDWGKDPFY-WDEREUQCSA-N 1 3 242.794 2.220 20 0 BEADHO C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccccn1 ZINC000692744331 960565102 /nfs/dbraw/zinc/56/51/02/960565102.db2.gz GBJVNHFLEWBTOZ-BNOWGMLFSA-N 1 3 245.370 2.045 20 0 BEADHO Cc1nc(N[C@@H]2CC[NH2+][C@@H]2C)cc2[nH]ccc21 ZINC001155188183 963015669 /nfs/dbraw/zinc/01/56/69/963015669.db2.gz UYNWIYYSASRYQY-MWLCHTKSSA-N 1 3 230.315 2.034 20 0 BEADHO CCC[C@H](C)C[NH2+]CC[C@H](C)N(C)C ZINC000697871975 964598901 /nfs/dbraw/zinc/59/89/01/964598901.db2.gz QGNXHFGYLYAAOF-RYUDHWBXSA-N 1 3 200.370 2.352 20 0 BEADHO Cc1ccccc1C[NH2+]CC[C@@H](C)N(C)C ZINC000697890475 964642715 /nfs/dbraw/zinc/64/27/15/964642715.db2.gz VXKQPKMZBALZOK-CYBMUJFWSA-N 1 3 220.360 2.425 20 0 BEADHO COc1ccc(C[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000697920997 964687322 /nfs/dbraw/zinc/68/73/22/964687322.db2.gz RSRIEFYPPAABQN-GFCCVEGCSA-N 1 3 236.359 2.125 20 0 BEADHO Cc1nc(NCC2([NH3+])CCC2)cc2[nH]ccc21 ZINC001163327340 965334860 /nfs/dbraw/zinc/33/48/60/965334860.db2.gz XIGZQARVIFIEBM-UHFFFAOYSA-N 1 3 230.315 2.165 20 0 BEADHO CN(C)c1ccccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205094898 965735370 /nfs/dbraw/zinc/73/53/70/965735370.db2.gz RIVYKWBAJZCEBF-AWEZNQCLSA-N 1 3 247.386 2.066 20 0 BEADHO Cc1c2[nH]cnc2ccc1N(CCC[NH3+])C(C)C ZINC001164122454 965743749 /nfs/dbraw/zinc/74/37/49/965743749.db2.gz DJNJCLLPBTZMQT-UHFFFAOYSA-N 1 3 246.358 2.435 20 0 BEADHO CN(C)C1(CNc2ccccc2)CC[NH+](C)CC1 ZINC001164212070 965797919 /nfs/dbraw/zinc/79/79/19/965797919.db2.gz XJNDNBGSBOVSSA-UHFFFAOYSA-N 1 3 247.386 2.125 20 0 BEADHO Cc1cc(O)cc(C)c1CN1CCC[C@@H]([NH3+])CC1 ZINC001205102894 965803339 /nfs/dbraw/zinc/80/33/39/965803339.db2.gz VUSDNDJPJBRPOZ-CYBMUJFWSA-N 1 3 248.370 2.322 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@H+](CCCc1ccc(F)cc1)C2 ZINC001235166195 966023938 /nfs/dbraw/zinc/02/39/38/966023938.db2.gz PTMJZBLRLZTGMD-DZGCQCFKSA-N 1 3 248.345 2.181 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001235166195 966023954 /nfs/dbraw/zinc/02/39/54/966023954.db2.gz PTMJZBLRLZTGMD-DZGCQCFKSA-N 1 3 248.345 2.181 20 0 BEADHO CCC[C@H](C)CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959465 966179205 /nfs/dbraw/zinc/17/92/05/966179205.db2.gz QAESLDZBYLAQFO-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2CC(C)(C[NH3+])C2)CC1 ZINC001206711330 966200369 /nfs/dbraw/zinc/20/03/69/966200369.db2.gz IOANHGYCDOROCD-STQMWFEESA-N 1 3 222.376 2.259 20 0 BEADHO CC1=C[C@H](C)[C@H](C[NH+]2CC(C)(CN)C2)CC1 ZINC001206711330 966200381 /nfs/dbraw/zinc/20/03/81/966200381.db2.gz IOANHGYCDOROCD-STQMWFEESA-N 1 3 222.376 2.259 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CCO1 ZINC000715583357 967192333 /nfs/dbraw/zinc/19/23/33/967192333.db2.gz JWTVQZNMMYOURA-XJFOESAGSA-N 1 3 240.391 2.016 20 0 BEADHO CNc1ccc(C[N@@H+]2CCCC[C@H]2CN)cc1 ZINC001204933363 967239156 /nfs/dbraw/zinc/23/91/56/967239156.db2.gz SIZHDSYXFAYLDX-AWEZNQCLSA-N 1 3 233.359 2.042 20 0 BEADHO CNc1ccc(C[N@H+]2CCCC[C@H]2CN)cc1 ZINC001204933363 967239165 /nfs/dbraw/zinc/23/91/65/967239165.db2.gz SIZHDSYXFAYLDX-AWEZNQCLSA-N 1 3 233.359 2.042 20 0 BEADHO CNc1ccc(C[N@@H+]2CCCC[C@@H]2CN)cc1 ZINC001204933365 967241641 /nfs/dbraw/zinc/24/16/41/967241641.db2.gz SIZHDSYXFAYLDX-CQSZACIVSA-N 1 3 233.359 2.042 20 0 BEADHO CNc1ccc(C[N@H+]2CCCC[C@@H]2CN)cc1 ZINC001204933365 967241652 /nfs/dbraw/zinc/24/16/52/967241652.db2.gz SIZHDSYXFAYLDX-CQSZACIVSA-N 1 3 233.359 2.042 20 0 BEADHO Cc1ccc(CCCN2CCC[C@@H]([NH3+])CC2)o1 ZINC001205093850 967339688 /nfs/dbraw/zinc/33/96/88/967339688.db2.gz GPDBLQUPGYBFRM-CYBMUJFWSA-N 1 3 236.359 2.334 20 0 BEADHO Cc1sccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205123975 967351036 /nfs/dbraw/zinc/35/10/36/967351036.db2.gz IAYJVZQVNWIHQP-GFCCVEGCSA-N 1 3 224.373 2.370 20 0 BEADHO C[C@H]1CN(Cc2ccc3occc3c2)C[C@H]1C[NH3+] ZINC001205136280 967381396 /nfs/dbraw/zinc/38/13/96/967381396.db2.gz VIPLXRDAMHAWLK-SMDDNHRTSA-N 1 3 244.338 2.459 20 0 BEADHO CNc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC001205315395 967524500 /nfs/dbraw/zinc/52/45/00/967524500.db2.gz FXWHCPLFYRNEKU-JSGCOSHPSA-N 1 3 247.386 2.145 20 0 BEADHO CCc1ccccc1C[N@@H+]1CCNCC[C@H]1C ZINC001205324407 967541344 /nfs/dbraw/zinc/54/13/44/967541344.db2.gz AUXXCVVUVOMHPW-CYBMUJFWSA-N 1 3 232.371 2.433 20 0 BEADHO CCc1ccccc1C[N@H+]1CCNCC[C@H]1C ZINC001205324407 967541376 /nfs/dbraw/zinc/54/13/76/967541376.db2.gz AUXXCVVUVOMHPW-CYBMUJFWSA-N 1 3 232.371 2.433 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCCOC1)N1CCCCC1 ZINC001205391964 967617470 /nfs/dbraw/zinc/61/74/70/967617470.db2.gz XXESBNMUZGWNEF-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](CCN[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001205391964 967617479 /nfs/dbraw/zinc/61/74/79/967617479.db2.gz XXESBNMUZGWNEF-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCC(C)(C)C ZINC001205902201 967876864 /nfs/dbraw/zinc/87/68/64/967876864.db2.gz IPVCJWQKXORWNY-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCC(C)(C)C ZINC001205902201 967876866 /nfs/dbraw/zinc/87/68/66/967876866.db2.gz IPVCJWQKXORWNY-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO Cc1cc2cc(N3CC[C@H]([NH3+])C3)ccc2cn1 ZINC001164289234 968216376 /nfs/dbraw/zinc/21/63/76/968216376.db2.gz WICRMLJGAYIJDY-ZDUSSCGKSA-N 1 3 227.311 2.081 20 0 BEADHO C[C@H](CN1CCCC[C@H](C[NH3+])C1)C(F)(F)F ZINC001206606257 968415891 /nfs/dbraw/zinc/41/58/91/968415891.db2.gz IHCKOZFZPYFVED-NXEZZACHSA-N 1 3 238.297 2.246 20 0 BEADHO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)ccc1O ZINC001206622385 968424660 /nfs/dbraw/zinc/42/46/60/968424660.db2.gz BBENJEMMSLBWDW-CQSZACIVSA-N 1 3 248.370 2.261 20 0 BEADHO CC/C=C\CC[N@@H+]1C[C@H](CN)CC[C@H]1C ZINC001206760697 968457379 /nfs/dbraw/zinc/45/73/79/968457379.db2.gz KKTYOKBSRVBHOX-CIUCYMIDSA-N 1 3 210.365 2.402 20 0 BEADHO CC/C=C\CC[N@H+]1C[C@H](CN)CC[C@H]1C ZINC001206760697 968457387 /nfs/dbraw/zinc/45/73/87/968457387.db2.gz KKTYOKBSRVBHOX-CIUCYMIDSA-N 1 3 210.365 2.402 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)CCc1cccnc1 ZINC001207285454 968720153 /nfs/dbraw/zinc/72/01/53/968720153.db2.gz KQKGZKPXRHPOBY-UHFFFAOYSA-N 1 3 249.402 2.144 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)CCc1cccnc1 ZINC001207285454 968720155 /nfs/dbraw/zinc/72/01/55/968720155.db2.gz KQKGZKPXRHPOBY-UHFFFAOYSA-N 1 3 249.402 2.144 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCC[C@@H]1CCO1 ZINC001207858099 968891544 /nfs/dbraw/zinc/89/15/44/968891544.db2.gz DIQZRZORESEGGJ-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001207836122 968897063 /nfs/dbraw/zinc/89/70/63/968897063.db2.gz GUTOINZQDWKYHI-RFQIPJPRSA-N 1 3 224.392 2.495 20 0 BEADHO CN(C)CC1(C[NH+]2CC(C)(C)C2)CCCC1 ZINC001208182381 969113290 /nfs/dbraw/zinc/11/32/90/969113290.db2.gz OBFGMLIGASWVSD-UHFFFAOYSA-N 1 3 224.392 2.450 20 0 BEADHO CCOC(C)(C)CN(CC)CCC[NH+](C)C ZINC001209076542 969348868 /nfs/dbraw/zinc/34/88/68/969348868.db2.gz NLMNRMAAJQDZQL-UHFFFAOYSA-N 1 3 230.396 2.075 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC001169080442 969401842 /nfs/dbraw/zinc/40/18/42/969401842.db2.gz NMYGGOLFSINENC-MHEUCROKSA-N 1 3 245.370 2.357 20 0 BEADHO C[C@H]1C[C@@H]1C[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209433834 969502326 /nfs/dbraw/zinc/50/23/26/969502326.db2.gz VQRQYBYNZJRPJN-NWDGAFQWSA-N 1 3 222.376 2.201 20 0 BEADHO C[C@H](N)c1ccn(-c2ccccc2C(C)(C)[NH3+])n1 ZINC001169234018 969516205 /nfs/dbraw/zinc/51/62/05/969516205.db2.gz DHBMAJVFYRCOQE-JTQLQIEISA-N 1 3 244.342 2.086 20 0 BEADHO CCC/C=C/c1cc(N2CC[NH2+]CC2)ccn1 ZINC001242254559 969695497 /nfs/dbraw/zinc/69/54/97/969695497.db2.gz RLTQNAUINXJRNB-SNAWJCMRSA-N 1 3 231.343 2.305 20 0 BEADHO C[N@@H+]1CCC[C@H](N2Cc3ccccc3C2)CC1 ZINC001254517286 969703065 /nfs/dbraw/zinc/70/30/65/969703065.db2.gz UAKUVHOZBPAMSB-HNNXBMFYSA-N 1 3 230.355 2.487 20 0 BEADHO C[N@H+]1CCC[C@H](N2Cc3ccccc3C2)CC1 ZINC001254517286 969703071 /nfs/dbraw/zinc/70/30/71/969703071.db2.gz UAKUVHOZBPAMSB-HNNXBMFYSA-N 1 3 230.355 2.487 20 0 BEADHO CN1CCC[C@@H]([N@@H+]2CCCCC23CC3)CC1 ZINC001254525740 969709025 /nfs/dbraw/zinc/70/90/25/969709025.db2.gz LSZMIWFVRCHUDJ-CYBMUJFWSA-N 1 3 222.376 2.489 20 0 BEADHO CN1CCC[C@@H]([N@H+]2CCCCC23CC3)CC1 ZINC001254525740 969709032 /nfs/dbraw/zinc/70/90/32/969709032.db2.gz LSZMIWFVRCHUDJ-CYBMUJFWSA-N 1 3 222.376 2.489 20 0 BEADHO Cc1cc(N)[nH+]cc1Nc1ccc2nccn2c1 ZINC001209966964 969732343 /nfs/dbraw/zinc/73/23/43/969732343.db2.gz GEWZKXAXZOTAEZ-UHFFFAOYSA-N 1 3 239.282 2.364 20 0 BEADHO CCCC[N@H+](C)CCCN[C@@H]1CCSC1 ZINC001255269084 970019942 /nfs/dbraw/zinc/01/99/42/970019942.db2.gz YCGWLDOLAGCAEJ-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CCCC[N@@H+](C)CCCN[C@@H]1CCSC1 ZINC001255269084 970019954 /nfs/dbraw/zinc/01/99/54/970019954.db2.gz YCGWLDOLAGCAEJ-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CCCCN(C)CCC[NH2+][C@@H]1CCSC1 ZINC001255269084 970019963 /nfs/dbraw/zinc/01/99/63/970019963.db2.gz YCGWLDOLAGCAEJ-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CCC(CC)N1CCC([NH2+][C@@H](C)COC)CC1 ZINC001255563268 970348838 /nfs/dbraw/zinc/34/88/38/970348838.db2.gz LAKHXHALVJBFJI-LBPRGKRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](N)c1nccn1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255661887 970444255 /nfs/dbraw/zinc/44/42/55/970444255.db2.gz DWPHZWXIDWHONC-FKJOKYEKSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H](N)c1nccn1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661887 970444260 /nfs/dbraw/zinc/44/42/60/970444260.db2.gz DWPHZWXIDWHONC-FKJOKYEKSA-N 1 3 248.374 2.091 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC001255948178 970581358 /nfs/dbraw/zinc/58/13/58/970581358.db2.gz GRJUMIRHSWVGTJ-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](CC)CC(C)(C)O ZINC001255968496 970604058 /nfs/dbraw/zinc/60/40/58/970604058.db2.gz ZUPBQIAOFHAHTO-CYBMUJFWSA-N 1 3 244.423 2.200 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](CC)CC(C)(C)O ZINC001255968496 970604063 /nfs/dbraw/zinc/60/40/63/970604063.db2.gz ZUPBQIAOFHAHTO-CYBMUJFWSA-N 1 3 244.423 2.200 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CCC(C)(C)C2)C[C@H]1CN ZINC001246542458 972577742 /nfs/dbraw/zinc/57/77/42/972577742.db2.gz PKVBNCCTCMPCOM-TUAOUCFPSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CCC(C)(C)C2)C[C@H]1CN ZINC001246542458 972577750 /nfs/dbraw/zinc/57/77/50/972577750.db2.gz PKVBNCCTCMPCOM-TUAOUCFPSA-N 1 3 210.365 2.092 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246544733 972607295 /nfs/dbraw/zinc/60/72/95/972607295.db2.gz YKAYBTQKAXMKEV-SQWLQELKSA-N 1 3 246.398 2.453 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246544733 972607302 /nfs/dbraw/zinc/60/73/02/972607302.db2.gz YKAYBTQKAXMKEV-SQWLQELKSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594975 973007693 /nfs/dbraw/zinc/00/76/93/973007693.db2.gz WWVVEEDDQJDVLW-XHJNMGKDSA-N 1 3 236.403 2.480 20 0 BEADHO C[C@@H]1CC[C@@H](CN)C[N@H+]1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246594975 973007701 /nfs/dbraw/zinc/00/77/01/973007701.db2.gz WWVVEEDDQJDVLW-XHJNMGKDSA-N 1 3 236.403 2.480 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666662 973076196 /nfs/dbraw/zinc/07/61/96/973076196.db2.gz WVMYHYMFPFBHBB-YHQUGGNUSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666662 973076206 /nfs/dbraw/zinc/07/62/06/973076206.db2.gz WVMYHYMFPFBHBB-YHQUGGNUSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246866315 973221091 /nfs/dbraw/zinc/22/10/91/973221091.db2.gz JFMTWUSJTMIABR-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246866315 973221108 /nfs/dbraw/zinc/22/11/08/973221108.db2.gz JFMTWUSJTMIABR-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H]1CC[C@@H](NCC2(C)CC(F)(F)C2)C[NH2+]1 ZINC000720898767 973392857 /nfs/dbraw/zinc/39/28/57/973392857.db2.gz DNVDWKWNOJBLHI-VHSXEESVSA-N 1 3 232.318 2.152 20 0 BEADHO Cc1c2[nH]cnc2ccc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333486 973857224 /nfs/dbraw/zinc/85/72/24/973857224.db2.gz DZJDQLKUILNARL-NSHDSACASA-N 1 3 244.342 2.425 20 0 BEADHO Cc1ccc(CC[C@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001171663427 974124342 /nfs/dbraw/zinc/12/43/42/974124342.db2.gz LEITZCBWTNHUGP-GRTSSRMGSA-N 1 3 232.371 2.395 20 0 BEADHO Cc1ccc(CC[C@H](C)NC2CC([NH3+])C2)cc1 ZINC001171663427 974124352 /nfs/dbraw/zinc/12/43/52/974124352.db2.gz LEITZCBWTNHUGP-GRTSSRMGSA-N 1 3 232.371 2.395 20 0 BEADHO Cc1ccc(CC[C@H](C)NC2(C[NH3+])CC2)cc1 ZINC001171666504 974129590 /nfs/dbraw/zinc/12/95/90/974129590.db2.gz YNZGINWXDQNRTQ-ZDUSSCGKSA-N 1 3 232.371 2.397 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccncc1)C2 ZINC001172100334 974345241 /nfs/dbraw/zinc/34/52/41/974345241.db2.gz OXMBSJBPIAMXID-QKDCVEJESA-N 1 3 245.370 2.187 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C(F)F)C1)C2 ZINC001172129935 974351090 /nfs/dbraw/zinc/35/10/90/974351090.db2.gz FGWJAMYVFGJUNA-GDNZZTSVSA-N 1 3 244.329 2.199 20 0 BEADHO C[C@@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172106282 974366688 /nfs/dbraw/zinc/36/66/88/974366688.db2.gz OUWSTKBOCHXQDI-NDBYEHHHSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106282 974366695 /nfs/dbraw/zinc/36/66/95/974366695.db2.gz OUWSTKBOCHXQDI-NDBYEHHHSA-N 1 3 248.374 2.091 20 0 BEADHO CCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104285 974366957 /nfs/dbraw/zinc/36/69/57/974366957.db2.gz DTUZQCDTTRGJRD-ZSOGYDGISA-N 1 3 240.391 2.018 20 0 BEADHO CCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104285 974366974 /nfs/dbraw/zinc/36/69/74/974366974.db2.gz DTUZQCDTTRGJRD-ZSOGYDGISA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC001172106284 974370509 /nfs/dbraw/zinc/37/05/09/974370509.db2.gz OUWSTKBOCHXQDI-WUHRBBMRSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](N)c1ccn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC001172106284 974370522 /nfs/dbraw/zinc/37/05/22/974370522.db2.gz OUWSTKBOCHXQDI-WUHRBBMRSA-N 1 3 248.374 2.091 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](F)C1)C2 ZINC001172121435 974390684 /nfs/dbraw/zinc/39/06/84/974390684.db2.gz QNZIPAAUMNJECI-FVCCEPFGSA-N 1 3 226.339 2.046 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](F)C1)C2 ZINC001172121435 974390690 /nfs/dbraw/zinc/39/06/90/974390690.db2.gz QNZIPAAUMNJECI-FVCCEPFGSA-N 1 3 226.339 2.046 20 0 BEADHO NC[C@@H]1CCC[N@@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172188442 974394259 /nfs/dbraw/zinc/39/42/59/974394259.db2.gz SLWBUNUJRMGGJC-STQMWFEESA-N 1 3 248.395 2.127 20 0 BEADHO NC[C@@H]1CCC[N@H+]1[C@@H]1CSc2ccccc2C1 ZINC001172188442 974394266 /nfs/dbraw/zinc/39/42/66/974394266.db2.gz SLWBUNUJRMGGJC-STQMWFEESA-N 1 3 248.395 2.127 20 0 BEADHO CC(C)COCC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001172461408 974826541 /nfs/dbraw/zinc/82/65/41/974826541.db2.gz GLFKKGCAHNDOFY-ZDUSSCGKSA-N 1 3 242.407 2.251 20 0 BEADHO CO[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCCN2C)C1 ZINC001172927773 974974222 /nfs/dbraw/zinc/97/42/22/974974222.db2.gz ZVVKNMNPDNLSKX-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO CCc1ccc(C[C@@H](C)NC2CC([NH3+])C2)cc1 ZINC001173237818 975158869 /nfs/dbraw/zinc/15/88/69/975158869.db2.gz FGICKVIRYVILAR-VCANKDNSSA-N 1 3 232.371 2.259 20 0 BEADHO CCc1ccc(C[C@@H](C)[NH2+]C2CC(N)C2)cc1 ZINC001173237818 975158872 /nfs/dbraw/zinc/15/88/72/975158872.db2.gz FGICKVIRYVILAR-VCANKDNSSA-N 1 3 232.371 2.259 20 0 BEADHO CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278792 975236426 /nfs/dbraw/zinc/23/64/26/975236426.db2.gz FPGXTCFGWRPXFZ-KBXIAJHMSA-N 1 3 236.403 2.449 20 0 BEADHO CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001173278792 975236434 /nfs/dbraw/zinc/23/64/34/975236434.db2.gz FPGXTCFGWRPXFZ-KBXIAJHMSA-N 1 3 236.403 2.449 20 0 BEADHO CC(C)[N@H+](CCCO)Cc1cc2cnccc2[nH]1 ZINC001232013931 977837515 /nfs/dbraw/zinc/83/75/15/977837515.db2.gz IDESGJSDJSZVSM-UHFFFAOYSA-N 1 3 247.342 2.156 20 0 BEADHO CC(C)[N@@H+](CCCO)Cc1cc2cnccc2[nH]1 ZINC001232013931 977837519 /nfs/dbraw/zinc/83/75/19/977837519.db2.gz IDESGJSDJSZVSM-UHFFFAOYSA-N 1 3 247.342 2.156 20 0 BEADHO CC(C)c1ccc(CCN2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001235210960 978999429 /nfs/dbraw/zinc/99/94/29/978999429.db2.gz RTGBHRBRVUASHG-ZSHCYNCHSA-N 1 3 244.382 2.241 20 0 BEADHO CC1=CC[C@@H](CC[N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)C1(C)C ZINC001235209967 979001392 /nfs/dbraw/zinc/00/13/92/979001392.db2.gz GTSSRNQIZOKSQN-IGQOVBAYSA-N 1 3 234.387 2.258 20 0 BEADHO CC1=CC[C@@H](CC[N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)C1(C)C ZINC001235209967 979001395 /nfs/dbraw/zinc/00/13/95/979001395.db2.gz GTSSRNQIZOKSQN-IGQOVBAYSA-N 1 3 234.387 2.258 20 0 BEADHO Cc1cccc(CC[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)c1 ZINC001235239077 979002616 /nfs/dbraw/zinc/00/26/16/979002616.db2.gz FAROOMZARVPLCF-HZPDHXFCSA-N 1 3 244.382 2.351 20 0 BEADHO Cc1cccc(CC[N@H+]2C[C@H]3CCC[C@@]3(N)C2)c1 ZINC001235239077 979002622 /nfs/dbraw/zinc/00/26/22/979002622.db2.gz FAROOMZARVPLCF-HZPDHXFCSA-N 1 3 244.382 2.351 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CNCC[C@H]32)CC1 ZINC001235256771 979009386 /nfs/dbraw/zinc/00/93/86/979009386.db2.gz GQMUBVNKTKODFG-BYNSBNAKSA-N 1 3 234.387 2.273 20 0 BEADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CNCC[C@H]32)CC1 ZINC001235256771 979009391 /nfs/dbraw/zinc/00/93/91/979009391.db2.gz GQMUBVNKTKODFG-BYNSBNAKSA-N 1 3 234.387 2.273 20 0 BEADHO CC(C)c1ccc(CCN2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001235283923 979018312 /nfs/dbraw/zinc/01/83/12/979018312.db2.gz RTGBHRBRVUASHG-MUJYYYPQSA-N 1 3 244.382 2.241 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235404156 979037182 /nfs/dbraw/zinc/03/71/82/979037182.db2.gz MTHQUWHGGKRQOU-ZIAGYGMSSA-N 1 3 242.382 2.446 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235404156 979037187 /nfs/dbraw/zinc/03/71/87/979037187.db2.gz MTHQUWHGGKRQOU-ZIAGYGMSSA-N 1 3 242.382 2.446 20 0 BEADHO C(C1CCCCC1)[N@@H+]1CCCC2(CNC2)C1 ZINC001235711885 979127918 /nfs/dbraw/zinc/12/79/18/979127918.db2.gz UKBVMSUDKCRHLI-UHFFFAOYSA-N 1 3 222.376 2.252 20 0 BEADHO C(C1CCCCC1)[N@H+]1CCCC2(CNC2)C1 ZINC001235711885 979127926 /nfs/dbraw/zinc/12/79/26/979127926.db2.gz UKBVMSUDKCRHLI-UHFFFAOYSA-N 1 3 222.376 2.252 20 0 BEADHO CCc1cccc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235958672 979225633 /nfs/dbraw/zinc/22/56/33/979225633.db2.gz AXPREJXAPVBPBH-MUJYYYPQSA-N 1 3 244.382 2.418 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996083 979291475 /nfs/dbraw/zinc/29/14/75/979291475.db2.gz QRGICFZBAUNQRV-GDBMZVCRSA-N 1 3 242.366 2.098 20 0 BEADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996083 979291493 /nfs/dbraw/zinc/29/14/93/979291493.db2.gz QRGICFZBAUNQRV-GDBMZVCRSA-N 1 3 242.366 2.098 20 0 BEADHO C[NH+](C)Cc1cccc(-c2ccc(CN)nc2)c1 ZINC001236420094 979589667 /nfs/dbraw/zinc/58/96/67/979589667.db2.gz XVXSIPMWLJZXFA-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO C[C@H](N)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001236434904 979599494 /nfs/dbraw/zinc/59/94/94/979599494.db2.gz ZALVLCNGZISZBD-ZDUSSCGKSA-N 1 3 232.371 2.387 20 0 BEADHO C[C@]1([NH3+])CCCN(CCc2ccccc2)CC1 ZINC001205257161 979755908 /nfs/dbraw/zinc/75/59/08/979755908.db2.gz SWFAARYPYKHJKR-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO Cc1cc(CN2CCC[C@@](C)([NH3+])CC2)ccc1O ZINC001205273061 979833364 /nfs/dbraw/zinc/83/33/64/979833364.db2.gz DDYGHGOLPAJYIB-OAHLLOKOSA-N 1 3 248.370 2.404 20 0 BEADHO CCN1C[C@@H]2C[NH+](Cc3ccccc3C)C[C@H]2C1 ZINC001203713845 980856040 /nfs/dbraw/zinc/85/60/40/980856040.db2.gz YFCDRRSQPSCLRQ-HZPDHXFCSA-N 1 3 244.382 2.379 20 0 BEADHO c1cnc(C2=CCC[NH2+]C2)c(CN2CCCC2)c1 ZINC001240656538 981566361 /nfs/dbraw/zinc/56/63/61/981566361.db2.gz DVXHAZVTLMLRGE-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO CCN(CC)Cc1cncc(C2=CCC[NH2+]C2)c1 ZINC001240668772 981577607 /nfs/dbraw/zinc/57/76/07/981577607.db2.gz AYJBXIFSFIFAGE-UHFFFAOYSA-N 1 3 245.370 2.300 20 0 BEADHO c1cc(CCC[NH2+]C2CCNCC2)cs1 ZINC001580887719 981708105 /nfs/dbraw/zinc/70/81/05/981708105.db2.gz FPLWUDPUZZVEOW-UHFFFAOYSA-N 1 3 224.373 2.022 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 ZINC001580896018 981727701 /nfs/dbraw/zinc/72/77/01/981727701.db2.gz XAHKYQKUYPVLCS-VDERGJSUSA-N 1 3 242.366 2.199 20 0 BEADHO C[NH2+]Cc1ccccc1C1=CCCN(C)C1 ZINC001241572459 982825552 /nfs/dbraw/zinc/82/55/52/982825552.db2.gz XDHPWTDAKSPQFV-UHFFFAOYSA-N 1 3 216.328 2.125 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001201516846 983313524 /nfs/dbraw/zinc/31/35/24/983313524.db2.gz DMKPZFXLMQXTJJ-MCIONIFRSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1C[C@@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001201516846 983313530 /nfs/dbraw/zinc/31/35/30/983313530.db2.gz DMKPZFXLMQXTJJ-MCIONIFRSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[NH+]1C[C@H]2CN(CCCSC)C[C@@H]2C1 ZINC001201697882 983410840 /nfs/dbraw/zinc/41/08/40/983410840.db2.gz RYEJOWLTQPRQJM-STQMWFEESA-N 1 3 242.432 2.013 20 0 BEADHO CCCC[NH+]1C[C@@H]2CN(CCC)C[C@H]2C1 ZINC001201717228 983424512 /nfs/dbraw/zinc/42/45/12/983424512.db2.gz GUDVYAPPAJVZHF-STQMWFEESA-N 1 3 210.365 2.060 20 0 BEADHO CCCCN1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201717228 983424515 /nfs/dbraw/zinc/42/45/15/983424515.db2.gz GUDVYAPPAJVZHF-STQMWFEESA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256799569 984840981 /nfs/dbraw/zinc/84/09/81/984840981.db2.gz VFPQOPOZDXYIDU-VHDGCEQUSA-N 1 3 248.370 2.091 20 0 BEADHO CCC(C)(C)CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000686307628 985106688 /nfs/dbraw/zinc/10/66/88/985106688.db2.gz ZAHOVVDQGWYJQX-MEBFFEOJSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H](Cc1ccco1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155906220 985241660 /nfs/dbraw/zinc/24/16/60/985241660.db2.gz IXQPFNUDQZJJIQ-MGPQQGTHSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccco1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155906220 985241677 /nfs/dbraw/zinc/24/16/77/985241677.db2.gz IXQPFNUDQZJJIQ-MGPQQGTHSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccco1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155906407 985242006 /nfs/dbraw/zinc/24/20/06/985242006.db2.gz IXQPFNUDQZJJIQ-HZSPNIEDSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccco1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155906407 985242017 /nfs/dbraw/zinc/24/20/17/985242017.db2.gz IXQPFNUDQZJJIQ-HZSPNIEDSA-N 1 3 248.370 2.427 20 0 BEADHO C[NH2+]CCCN(C)CC12CCC(CC1)C2 ZINC001578687453 985299244 /nfs/dbraw/zinc/29/92/44/985299244.db2.gz PJICJHVYLBVWCW-UHFFFAOYSA-N 1 3 210.365 2.108 20 0 BEADHO CNc1ccc(C)cc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC001578757609 985328889 /nfs/dbraw/zinc/32/88/89/985328889.db2.gz UUDQPNOPIMLVDT-NEPJUHHUSA-N 1 3 235.375 2.252 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001578960533 985581898 /nfs/dbraw/zinc/58/18/98/985581898.db2.gz JJXRHMYIUFZZHL-XQQFMLRXSA-N 1 3 242.407 2.168 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001578960533 985581909 /nfs/dbraw/zinc/58/19/09/985581909.db2.gz JJXRHMYIUFZZHL-XQQFMLRXSA-N 1 3 242.407 2.168 20 0 BEADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCN2)cc1 ZINC001579192719 985818557 /nfs/dbraw/zinc/81/85/57/985818557.db2.gz HLRVHCRVJHMDNG-MBNYWOFBSA-N 1 3 248.370 2.139 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CC3CC3)C[C@@H]2C1 ZINC001258471337 985939800 /nfs/dbraw/zinc/93/98/00/985939800.db2.gz ZERXJVPKXWGKGA-AEGPPILISA-N 1 3 236.403 2.449 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CC3CC3)C[C@@H]2C1 ZINC001258471337 985939813 /nfs/dbraw/zinc/93/98/13/985939813.db2.gz ZERXJVPKXWGKGA-AEGPPILISA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H]([NH3+])CCNCCc1ccc(F)cc1Cl ZINC001579480003 986001930 /nfs/dbraw/zinc/00/19/30/986001930.db2.gz DYIDHRVKSMQFAB-VIFPVBQESA-N 1 3 244.741 2.349 20 0 BEADHO CC(C)[NH+](CCCNC1CCOCC1)C(C)C ZINC001461267715 986030032 /nfs/dbraw/zinc/03/00/32/986030032.db2.gz MCVTUVRMQNPJBB-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO Cc1ccc(F)c(CN(C)CCC2C[NH2+]C2)c1 ZINC001579705496 986187537 /nfs/dbraw/zinc/18/75/37/986187537.db2.gz ACBPAWGJYXIWTL-UHFFFAOYSA-N 1 3 236.334 2.175 20 0 BEADHO Cc1cccc(C[NH2+][C@]2(CN)CCCC[C@H]2C)n1 ZINC001579760187 986217120 /nfs/dbraw/zinc/21/71/20/986217120.db2.gz BAMWMYMDFMASTP-DOMZBBRYSA-N 1 3 247.386 2.387 20 0 BEADHO Cc1cccc(C[NH2+][C@@]2(CN)CCCC[C@H]2C)n1 ZINC001579760188 986218893 /nfs/dbraw/zinc/21/88/93/986218893.db2.gz BAMWMYMDFMASTP-IUODEOHRSA-N 1 3 247.386 2.387 20 0 BEADHO C[NH2+]Cc1cccc(-c2ccc(CN)nc2)c1F ZINC001244860115 986404419 /nfs/dbraw/zinc/40/44/19/986404419.db2.gz HIHGUIDLILHRLL-UHFFFAOYSA-N 1 3 245.301 2.066 20 0 BEADHO C[C@]1(C[N@@H+]2CCC[C@H](CCF)C2)CCCNC1 ZINC000689421675 986583494 /nfs/dbraw/zinc/58/34/94/986583494.db2.gz MGZCUYDGDYBFFS-KGLIPLIRSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@]1(C[N@H+]2CCC[C@H](CCF)C2)CCCNC1 ZINC000689421675 986583510 /nfs/dbraw/zinc/58/35/10/986583510.db2.gz MGZCUYDGDYBFFS-KGLIPLIRSA-N 1 3 242.382 2.448 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC001580423202 986841765 /nfs/dbraw/zinc/84/17/65/986841765.db2.gz UCBQKFMGSPTIOF-LVQVYYBASA-N 1 3 244.382 2.477 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC001580423203 986842906 /nfs/dbraw/zinc/84/29/06/986842906.db2.gz UCBQKFMGSPTIOF-WCVJEAGWSA-N 1 3 244.382 2.477 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)CCN1 ZINC001246066972 987353691 /nfs/dbraw/zinc/35/36/91/987353691.db2.gz SQSCZDJTWXXKFS-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCN[C@H](C)C2)cc1 ZINC001246094067 987400998 /nfs/dbraw/zinc/40/09/98/987400998.db2.gz FORSHUAZPVABPG-UKRRQHHQSA-N 1 3 232.371 2.268 20 0 BEADHO CC[C@@H](C)OCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116401 987453775 /nfs/dbraw/zinc/45/37/75/987453775.db2.gz DWJITQKHVLKKSO-AAVRWANBSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)C1CCC([NH2+][C@@H]2CNC[C@@H]2C)CC1 ZINC001246116397 987459853 /nfs/dbraw/zinc/45/98/53/987459853.db2.gz MJKSRDPFUJOWIW-GFJIZPEISA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CNCC23CC3)C[C@@H](C)C1 ZINC001246127977 987478607 /nfs/dbraw/zinc/47/86/07/987478607.db2.gz CZPLZYZJSZICFV-LOWDOPEQSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@]12C[C@H]1CNC2 ZINC001246132436 987482059 /nfs/dbraw/zinc/48/20/59/987482059.db2.gz CTUHCTAXBDIRFO-RVMXOQNASA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CC(CC(C)C)[NH2+][C@]12C[C@H]1CNC2 ZINC001246137682 987492342 /nfs/dbraw/zinc/49/23/42/987492342.db2.gz ZTYBBDGYJSIDKY-JSGCOSHPSA-N 1 3 224.392 2.399 20 0 BEADHO CCCCCC[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150591 987508626 /nfs/dbraw/zinc/50/86/26/987508626.db2.gz WBSALCSDINHQST-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001246182943 987554956 /nfs/dbraw/zinc/55/49/56/987554956.db2.gz BWNFZEJZKZWBGT-JSTMSRMQSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]1C[C@H](NC[C@H]2CC[NH2+]2)CC(C)(C)C1 ZINC001246192672 987580518 /nfs/dbraw/zinc/58/05/18/987580518.db2.gz JHPGLFIUQJOVBS-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC1CCC(NC[C@@H]2CC[NH2+]2)CC1 ZINC001246194657 987585653 /nfs/dbraw/zinc/58/56/53/987585653.db2.gz SJEKIZBNYOUUJQ-BPCQOVAHSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H](N[C@H]2C[C@H]2c2ccccc2)CC[NH2+]1 ZINC001246210780 987608087 /nfs/dbraw/zinc/60/80/87/987608087.db2.gz KHETVUGRBYWJAI-UNQGMJICSA-N 1 3 230.355 2.273 20 0 BEADHO C[C@H](CCCC(C)(C)O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246227331 987625417 /nfs/dbraw/zinc/62/54/17/987625417.db2.gz BYUJAQJQGBADAR-UPJWGTAASA-N 1 3 242.407 2.046 20 0 BEADHO Cc1ccnc(CCC[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC001246241428 987641484 /nfs/dbraw/zinc/64/14/84/987641484.db2.gz RCACJZGTGMXVLC-UKRRQHHQSA-N 1 3 247.386 2.053 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CN)C[C@@H]1C ZINC001246243439 987645079 /nfs/dbraw/zinc/64/50/79/987645079.db2.gz GKEFDWYGYPYNCF-GRYCIOLGSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCN[C@H](C)C1)c1ccc(O)cc1 ZINC001246272960 987667008 /nfs/dbraw/zinc/66/70/08/987667008.db2.gz NCCXSMJIDDZPCC-BZPMIXESSA-N 1 3 248.370 2.226 20 0 BEADHO CC1(C)CCC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246283460 987678086 /nfs/dbraw/zinc/67/80/86/987678086.db2.gz CEIQGIYYLZREBG-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccc(C)cc1 ZINC001246315104 987722186 /nfs/dbraw/zinc/72/21/86/987722186.db2.gz HFYGSEBLQLLDDY-JSGCOSHPSA-N 1 3 220.360 2.253 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001246314921 987722366 /nfs/dbraw/zinc/72/23/66/987722366.db2.gz RHCCJNJWNLQCFL-NEPJUHHUSA-N 1 3 236.384 2.030 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC2)CCN1 ZINC001246332558 987738610 /nfs/dbraw/zinc/73/86/10/987738610.db2.gz NHYSUHWANAFJHT-ZFWWWQNUSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@H]1C[C@@H](NCC2(c3ccccc3)CC2)CC[NH2+]1 ZINC001246332558 987738614 /nfs/dbraw/zinc/73/86/14/987738614.db2.gz NHYSUHWANAFJHT-ZFWWWQNUSA-N 1 3 244.382 2.448 20 0 BEADHO C[C@H]1CC[C@@H](NCCCCCCCCO)C[NH2+]1 ZINC001246345047 987752418 /nfs/dbraw/zinc/75/24/18/987752418.db2.gz VACOVGSNOTYDHN-UONOGXRCSA-N 1 3 242.407 2.049 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430956 987793515 /nfs/dbraw/zinc/79/35/15/987793515.db2.gz HQZOBZJCZUKCEB-DGCLKSJQSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446767 987796914 /nfs/dbraw/zinc/79/69/14/987796914.db2.gz TYQVJQLOHIKWML-YNEHKIRRSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446767 987796918 /nfs/dbraw/zinc/79/69/18/987796918.db2.gz TYQVJQLOHIKWML-YNEHKIRRSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)CC[C@@H](C[NH2+]C2CCNCC2)C1 ZINC001246438438 987798669 /nfs/dbraw/zinc/79/86/69/987798669.db2.gz XYPYXKQMOJFIGQ-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO CCCCCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246445443 987798892 /nfs/dbraw/zinc/79/88/92/987798892.db2.gz OFYQYJVWYWBXRE-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CCCCCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246445443 987798897 /nfs/dbraw/zinc/79/88/97/987798897.db2.gz OFYQYJVWYWBXRE-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CCCCCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246445438 987800433 /nfs/dbraw/zinc/80/04/33/987800433.db2.gz OFYQYJVWYWBXRE-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO CCCCCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246445438 987800439 /nfs/dbraw/zinc/80/04/39/987800439.db2.gz OFYQYJVWYWBXRE-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CN1 ZINC001246443142 987801808 /nfs/dbraw/zinc/80/18/08/987801808.db2.gz LTWSPMIYQPPNNI-QEHJDLSMSA-N 1 3 236.403 2.397 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2(CC3CC3)CC2)CCN1 ZINC001246445158 987801958 /nfs/dbraw/zinc/80/19/58/987801958.db2.gz MYLCSHXSGNBDJQ-ZYHUDNBSSA-N 1 3 208.349 2.049 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CNC3)C1 ZINC001246445121 987802061 /nfs/dbraw/zinc/80/20/61/987802061.db2.gz MMLNMXZDVUMQPS-KXUCPTDWSA-N 1 3 248.292 2.059 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@H](N[C@@H]2CC23C[NH2+]C3)C1 ZINC001246445121 987802064 /nfs/dbraw/zinc/80/20/64/987802064.db2.gz MMLNMXZDVUMQPS-KXUCPTDWSA-N 1 3 248.292 2.059 20 0 BEADHO CC(C)(CN[C@H]1CCC[NH2+]C1)CC(F)(F)F ZINC001246445765 987802775 /nfs/dbraw/zinc/80/27/75/987802775.db2.gz HWDQKQKAZPZFLX-VIFPVBQESA-N 1 3 238.297 2.307 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccnc2)CCN1 ZINC001246444652 987803158 /nfs/dbraw/zinc/80/31/58/987803158.db2.gz AQQFKANOXJMZHH-JSGCOSHPSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C(C)(C)Cc2cccnc2)CCN1 ZINC001246444655 987803251 /nfs/dbraw/zinc/80/32/51/987803251.db2.gz AQQFKANOXJMZHH-TZMCWYRMSA-N 1 3 247.386 2.133 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446823 987804734 /nfs/dbraw/zinc/80/47/34/987804734.db2.gz UGCNJZDOFRQJDB-NEPJUHHUSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)=CCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446823 987804738 /nfs/dbraw/zinc/80/47/38/987804738.db2.gz UGCNJZDOFRQJDB-NEPJUHHUSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446828 987806947 /nfs/dbraw/zinc/80/69/47/987806947.db2.gz UGCNJZDOFRQJDB-RYUDHWBXSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)=CCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446828 987806952 /nfs/dbraw/zinc/80/69/52/987806952.db2.gz UGCNJZDOFRQJDB-RYUDHWBXSA-N 1 3 208.349 2.073 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C)cc3C2)C1 ZINC001246458785 987817283 /nfs/dbraw/zinc/81/72/83/987817283.db2.gz BYRFDXKJAYGSAP-JYJNAYRXSA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@H](N[C@H]2CCc3ccc(C)cc3C2)C1 ZINC001246458785 987817288 /nfs/dbraw/zinc/81/72/88/987817288.db2.gz BYRFDXKJAYGSAP-JYJNAYRXSA-N 1 3 244.382 2.192 20 0 BEADHO CC1(C)CCC([NH2+][C@H]2C[C@@](C)(N)C2)CC1 ZINC001246457891 987817719 /nfs/dbraw/zinc/81/77/19/987817719.db2.gz FKPSZLFPDIJLKN-BJHJDKERSA-N 1 3 210.365 2.425 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001246461676 987818507 /nfs/dbraw/zinc/81/85/07/987818507.db2.gz PEMDERSRFFMBNC-NZEXEKPDSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@H]2CCc3c(C)cccc3C2)C1 ZINC001246461608 987819140 /nfs/dbraw/zinc/81/91/40/987819140.db2.gz NNFVKQZKIDPQQP-KKUMJFAQSA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@H](N[C@H]2CCc3c(C)cccc3C2)C1 ZINC001246461608 987819142 /nfs/dbraw/zinc/81/91/42/987819142.db2.gz NNFVKQZKIDPQQP-KKUMJFAQSA-N 1 3 244.382 2.192 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001246461677 987820520 /nfs/dbraw/zinc/82/05/20/987820520.db2.gz PEMDERSRFFMBNC-QWQWKMKNSA-N 1 3 210.365 2.151 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001246461679 987820543 /nfs/dbraw/zinc/82/05/43/987820543.db2.gz PEMDERSRFFMBNC-WJTVCTBASA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](NC)C1 ZINC001246461059 987820804 /nfs/dbraw/zinc/82/08/04/987820804.db2.gz MYALZVZRYRYQRQ-RBSFLKMASA-N 1 3 232.371 2.348 20 0 BEADHO CC[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH2+]C)C1 ZINC001246461059 987820810 /nfs/dbraw/zinc/82/08/10/987820810.db2.gz MYALZVZRYRYQRQ-RBSFLKMASA-N 1 3 232.371 2.348 20 0 BEADHO CN[C@H]1C[C@H]([NH2+]C2CCc3ccccc3CC2)C1 ZINC001246462389 987823900 /nfs/dbraw/zinc/82/39/00/987823900.db2.gz QUQXUHVITPNICP-WKILWMFISA-N 1 3 244.382 2.274 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC001246497776 987853634 /nfs/dbraw/zinc/85/36/34/987853634.db2.gz RIPNTSIDBGPMJM-SDDRHHMPSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)CCC[C@H](C)NC12CC([NH3+])(C1)C2 ZINC001246500968 987855555 /nfs/dbraw/zinc/85/55/55/987855555.db2.gz JIRZEYJIQDAQOG-HIFPTAJRSA-N 1 3 210.365 2.425 20 0 BEADHO CCC[N@H+]([C@@H](C)CC)[C@@H](C)CCNC ZINC001246526804 987879183 /nfs/dbraw/zinc/87/91/83/987879183.db2.gz CRIXAFALJCJEMQ-RYUDHWBXSA-N 1 3 200.370 2.495 20 0 BEADHO CCC[N@@H+]([C@@H](C)CC)[C@@H](C)CCNC ZINC001246526804 987879187 /nfs/dbraw/zinc/87/91/87/987879187.db2.gz CRIXAFALJCJEMQ-RYUDHWBXSA-N 1 3 200.370 2.495 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC001246539261 987900436 /nfs/dbraw/zinc/90/04/36/987900436.db2.gz GPBUZHPAQFDDKA-FRRDWIJNSA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC001246539261 987900449 /nfs/dbraw/zinc/90/04/49/987900449.db2.gz GPBUZHPAQFDDKA-FRRDWIJNSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC001246539296 987900842 /nfs/dbraw/zinc/90/08/42/987900842.db2.gz HECQLJLNRQBCLU-WUHRBBMRSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC001246539296 987900846 /nfs/dbraw/zinc/90/08/46/987900846.db2.gz HECQLJLNRQBCLU-WUHRBBMRSA-N 1 3 210.365 2.092 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540740 987901552 /nfs/dbraw/zinc/90/15/52/987901552.db2.gz KATOVLKNHYSGIP-QJPTWQEYSA-N 1 3 244.448 2.433 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540740 987901562 /nfs/dbraw/zinc/90/15/62/987901562.db2.gz KATOVLKNHYSGIP-QJPTWQEYSA-N 1 3 244.448 2.433 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CCC(C)(C)C2)C[C@H]1CN ZINC001246542455 987909300 /nfs/dbraw/zinc/90/93/00/987909300.db2.gz PKVBNCCTCMPCOM-QJPTWQEYSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CCC(C)(C)C2)C[C@H]1CN ZINC001246542455 987909309 /nfs/dbraw/zinc/90/93/09/987909309.db2.gz PKVBNCCTCMPCOM-QJPTWQEYSA-N 1 3 210.365 2.092 20 0 BEADHO CC1(C)CC[C@@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC001246545343 987919657 /nfs/dbraw/zinc/91/96/57/987919657.db2.gz JHKFRHAUBAUUCY-NWDGAFQWSA-N 1 3 210.365 2.378 20 0 BEADHO CC1(C)CC[C@@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC001246545343 987919671 /nfs/dbraw/zinc/91/96/71/987919671.db2.gz JHKFRHAUBAUUCY-NWDGAFQWSA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@H](C)OCC[C@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246546437 987927587 /nfs/dbraw/zinc/92/75/87/987927587.db2.gz MVOGMSJDLZNJJX-XUXIUFHCSA-N 1 3 242.407 2.392 20 0 BEADHO CC[C@H]1CC[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246547745 987931730 /nfs/dbraw/zinc/93/17/30/987931730.db2.gz NBRVWLZDDNQPIM-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246547745 987931744 /nfs/dbraw/zinc/93/17/44/987931744.db2.gz NBRVWLZDDNQPIM-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001118019117 987980008 /nfs/dbraw/zinc/98/00/08/987980008.db2.gz NSQJKOPJRWRGCU-OAHLLOKOSA-N 1 3 232.371 2.248 20 0 BEADHO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561876 987996873 /nfs/dbraw/zinc/99/68/73/987996873.db2.gz GYAAJXMSTLJZLK-SYQHCUMBSA-N 1 3 242.407 2.249 20 0 BEADHO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246561876 987996883 /nfs/dbraw/zinc/99/68/83/987996883.db2.gz GYAAJXMSTLJZLK-SYQHCUMBSA-N 1 3 242.407 2.249 20 0 BEADHO Cc1cccc2c1CN([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246566664 988024227 /nfs/dbraw/zinc/02/42/27/988024227.db2.gz IPSNYJRUCORMBQ-OCCSQVGLSA-N 1 3 230.355 2.451 20 0 BEADHO CC[C@H](C)C[C@H](CC)N1CC(C[NH2+]C)C1 ZINC001246593122 988178137 /nfs/dbraw/zinc/17/81/37/988178137.db2.gz AGEVLKBEWZHKMB-AAEUAGOBSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)N1CC(C[NH2+]C)C1 ZINC001246593126 988180501 /nfs/dbraw/zinc/18/05/01/988180501.db2.gz AGEVLKBEWZHKMB-DGCLKSJQSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1C[C@H]([NH+]2CC(C)(CN)C2)CC(C)(C)C1 ZINC001246601271 988206065 /nfs/dbraw/zinc/20/60/65/988206065.db2.gz UNTSXLUKAHVPAW-NEPJUHHUSA-N 1 3 224.392 2.482 20 0 BEADHO CC1(C)CC[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246633728 988318933 /nfs/dbraw/zinc/31/89/33/988318933.db2.gz LXMAQSREJVZZSX-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246633728 988318951 /nfs/dbraw/zinc/31/89/51/988318951.db2.gz LXMAQSREJVZZSX-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246633728 988318967 /nfs/dbraw/zinc/31/89/67/988318967.db2.gz LXMAQSREJVZZSX-SDDRHHMPSA-N 1 3 208.349 2.001 20 0 BEADHO CC[C@@H]1CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246640310 988337055 /nfs/dbraw/zinc/33/70/55/988337055.db2.gz SBRGLLAOYXLWIT-YVECIDJPSA-N 1 3 208.349 2.001 20 0 BEADHO CCCCC[C@H](CC)N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246642863 988349225 /nfs/dbraw/zinc/34/92/25/988349225.db2.gz DROMRVAZDMTHJH-AVGNSLFASA-N 1 3 210.365 2.378 20 0 BEADHO CCCCC[C@H](CC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657994 988383575 /nfs/dbraw/zinc/38/35/75/988383575.db2.gz BMGXNDCTDAUABS-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO CCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657994 988383589 /nfs/dbraw/zinc/38/35/89/988383589.db2.gz BMGXNDCTDAUABS-RVMXOQNASA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CN1 ZINC001246655754 988383687 /nfs/dbraw/zinc/38/36/87/988383687.db2.gz KPWDWZPXUFMISZ-RQJABVFESA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CN1 ZINC001246655754 988383698 /nfs/dbraw/zinc/38/36/98/988383698.db2.gz KPWDWZPXUFMISZ-RQJABVFESA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CN1 ZINC001246655756 988386879 /nfs/dbraw/zinc/38/68/79/988386879.db2.gz KPWDWZPXUFMISZ-SYQHCUMBSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CCC[C@@H]3C2)CN1 ZINC001246655756 988386882 /nfs/dbraw/zinc/38/68/82/988386882.db2.gz KPWDWZPXUFMISZ-SYQHCUMBSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656404 988387036 /nfs/dbraw/zinc/38/70/36/988387036.db2.gz NOJKRZHMJRVRJY-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CCN1 ZINC001246656404 988387049 /nfs/dbraw/zinc/38/70/49/988387049.db2.gz NOJKRZHMJRVRJY-WYUUTHIRSA-N 1 3 244.329 2.104 20 0 BEADHO CC(C)CC(CC(C)C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246662260 988396123 /nfs/dbraw/zinc/39/61/23/988396123.db2.gz YRHLZTICZOHNDD-WDNDVIMCSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246662260 988396128 /nfs/dbraw/zinc/39/61/28/988396128.db2.gz YRHLZTICZOHNDD-WDNDVIMCSA-N 1 3 224.392 2.336 20 0 BEADHO C[C@@H]1C[C@H](N2CC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790551 988466404 /nfs/dbraw/zinc/46/64/04/988466404.db2.gz HMDUONJATYGBMD-VHDGCEQUSA-N 1 3 245.370 2.011 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CNC3)C2)C[C@@H]1C ZINC001246792229 988467836 /nfs/dbraw/zinc/46/78/36/988467836.db2.gz ORBVMOXMLUWNIW-HZSPNIEDSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CNC3)C2)C[C@@H]1C ZINC001246792229 988467848 /nfs/dbraw/zinc/46/78/48/988467848.db2.gz ORBVMOXMLUWNIW-HZSPNIEDSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[C@@H](N2CC[C@H](c3cccnc3)C2)CC[NH2+]1 ZINC001246790550 988468912 /nfs/dbraw/zinc/46/89/12/988468912.db2.gz HMDUONJATYGBMD-SNPRPXQTSA-N 1 3 245.370 2.011 20 0 BEADHO CCCOC1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246788745 988469589 /nfs/dbraw/zinc/46/95/89/988469589.db2.gz ILBKGFYXUYPZJH-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO CCCOC1CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246788745 988469593 /nfs/dbraw/zinc/46/95/93/988469593.db2.gz ILBKGFYXUYPZJH-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C1CC[C@H]2C[N@@H+]([C@H]3CCCNC3)CC[C@H]2C1 ZINC001246833780 988527763 /nfs/dbraw/zinc/52/77/63/988527763.db2.gz ICLNTGGGMVODTQ-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO C1CC[C@H]2C[N@H+]([C@H]3CCCNC3)CC[C@H]2C1 ZINC001246833780 988527784 /nfs/dbraw/zinc/52/77/84/988527784.db2.gz ICLNTGGGMVODTQ-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246850257 988564692 /nfs/dbraw/zinc/56/46/92/988564692.db2.gz BWOUWYNYSLOQBZ-XDQVBPFNSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246850257 988564704 /nfs/dbraw/zinc/56/47/04/988564704.db2.gz BWOUWYNYSLOQBZ-XDQVBPFNSA-N 1 3 240.391 2.003 20 0 BEADHO CCCCC[C@H](C)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246857566 988587464 /nfs/dbraw/zinc/58/74/64/988587464.db2.gz AZWHTYFKLVCCOG-AVGNSLFASA-N 1 3 210.365 2.378 20 0 BEADHO CCC[N@H+](C1CCOCC1)[C@H]1CCN[C@H](C)C1 ZINC001246900264 988673847 /nfs/dbraw/zinc/67/38/47/988673847.db2.gz UOTJSRDMYYEVPC-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C1CCOCC1)[C@H]1CCN[C@H](C)C1 ZINC001246900264 988673857 /nfs/dbraw/zinc/67/38/57/988673857.db2.gz UOTJSRDMYYEVPC-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO CCCC1CCC(N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246947160 988778158 /nfs/dbraw/zinc/77/81/58/988778158.db2.gz JDHVQUIJPPBWIW-QSCRHYGLSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H](N)C[N@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246982497 988817424 /nfs/dbraw/zinc/81/74/24/988817424.db2.gz WTOQZMKYKLOUEA-ZANVPECISA-N 1 3 238.762 2.086 20 0 BEADHO C[C@H](N)C[N@@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001246982497 988817426 /nfs/dbraw/zinc/81/74/26/988817426.db2.gz WTOQZMKYKLOUEA-ZANVPECISA-N 1 3 238.762 2.086 20 0 BEADHO CCCCC[C@@H](CC)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988935 988821922 /nfs/dbraw/zinc/82/19/22/988821922.db2.gz KWCPVCGPCPMGRN-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO C[NH2+][C@@H](C)CCN[C@@H](C)Cc1cccs1 ZINC001325744243 989248412 /nfs/dbraw/zinc/24/84/12/989248412.db2.gz RYMXUIPUDQDAFY-QWRGUYRKSA-N 1 3 226.389 2.267 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC001119699009 989344081 /nfs/dbraw/zinc/34/40/81/989344081.db2.gz GZKJDUKXRPRXJD-NJMOYASZSA-N 1 3 222.376 2.151 20 0 BEADHO c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccn1 ZINC001120860692 989931673 /nfs/dbraw/zinc/93/16/73/989931673.db2.gz RDCPVTOUBRPDLI-CQSZACIVSA-N 1 3 231.343 2.146 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308554268 991035225 /nfs/dbraw/zinc/03/52/25/991035225.db2.gz NPJMDGMEQZUKHS-HZSPNIEDSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308984342 991235253 /nfs/dbraw/zinc/23/52/53/991235253.db2.gz HGSBODJXOVUNOB-RWMBFGLXSA-N 1 3 242.432 2.058 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001258335129 991262044 /nfs/dbraw/zinc/26/20/44/991262044.db2.gz XFIUVFMPDHFRIB-GHMZBOCLSA-N 1 3 232.437 2.433 20 0 BEADHO CSC(C)(C)C[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001258335129 991262055 /nfs/dbraw/zinc/26/20/55/991262055.db2.gz XFIUVFMPDHFRIB-GHMZBOCLSA-N 1 3 232.437 2.433 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)C1CCC1 ZINC001561053641 991710921 /nfs/dbraw/zinc/71/09/21/991710921.db2.gz XZYWYUREPOJRHZ-CBBWQLFWSA-N 1 3 236.403 2.495 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)N(C)CC(C)=O ZINC001258908607 991900612 /nfs/dbraw/zinc/90/06/12/991900612.db2.gz YRVXIXMXKWSFBR-LBPRGKRZSA-N 1 3 228.380 2.018 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@H](C)C1 ZINC001258907561 991900874 /nfs/dbraw/zinc/90/08/74/991900874.db2.gz KMVMPSHGQDNYJK-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001261370807 992280238 /nfs/dbraw/zinc/28/02/38/992280238.db2.gz VCIGDOPNIOYFCQ-GHMZBOCLSA-N 1 3 218.344 2.001 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CC3)[C@@H]2C1 ZINC001474756468 992511507 /nfs/dbraw/zinc/51/15/07/992511507.db2.gz GSWPMXFINWBMHY-AHDPXTMNSA-N 1 3 234.387 2.105 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001474757405 992524089 /nfs/dbraw/zinc/52/40/89/992524089.db2.gz VSLRNXZGWWHELY-HKKVPVCXSA-N 1 3 236.403 2.351 20 0 BEADHO Cc1c[nH+]c2ccccc2c1NC[C@@H]1CCN1C ZINC001262373597 992867104 /nfs/dbraw/zinc/86/71/04/992867104.db2.gz FLFQOBCFJOARPP-LBPRGKRZSA-N 1 3 241.338 2.081 20 0 BEADHO CC(C)[C@@H](CN)C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC001575422909 993033975 /nfs/dbraw/zinc/03/39/75/993033975.db2.gz OFXSFZYJSWVVCJ-VHSXEESVSA-N 1 3 234.334 2.098 20 0 BEADHO CC(C)[C@H](CN)C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC001575422910 993034093 /nfs/dbraw/zinc/03/40/93/993034093.db2.gz OFXSFZYJSWVVCJ-ZJUUUORDSA-N 1 3 234.334 2.098 20 0 BEADHO CC(C)C(C[NH2+][C@@H]1CNC[C@H]1C)C(C)C ZINC001575432799 993044619 /nfs/dbraw/zinc/04/46/19/993044619.db2.gz KEYIWCZEUCSLPQ-DGCLKSJQSA-N 1 3 212.381 2.112 20 0 BEADHO [NH3+][C@@H]1CCCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000378809309 993204491 /nfs/dbraw/zinc/20/44/91/993204491.db2.gz ZASUODYREVCHER-MRXNPFEDSA-N 1 3 244.382 2.489 20 0 BEADHO CC(C)[NH+]1CCC(NC/C=C\C2CC2)CC1 ZINC000378788256 993206352 /nfs/dbraw/zinc/20/63/52/993206352.db2.gz LAYQEHIFJHBILA-ARJAWSKDSA-N 1 3 222.376 2.415 20 0 BEADHO C[C@H]([NH2+]C[C@H]1C[C@@H]1C1CCCC1)C1CNC1 ZINC001576245329 993229216 /nfs/dbraw/zinc/22/92/16/993229216.db2.gz OPDKJEARWLAXRG-ZKYQVNSYSA-N 1 3 222.376 2.010 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\C1CC1 ZINC000379287574 993240008 /nfs/dbraw/zinc/24/00/08/993240008.db2.gz HTJDQOZOPFIPOP-LDIIPZEWSA-N 1 3 208.349 2.060 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C\C1CC1 ZINC000379287574 993240018 /nfs/dbraw/zinc/24/00/18/993240018.db2.gz HTJDQOZOPFIPOP-LDIIPZEWSA-N 1 3 208.349 2.060 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1cccc2[nH]ccc21 ZINC001576380644 993286617 /nfs/dbraw/zinc/28/66/17/993286617.db2.gz WBQSNJTZUDTSBI-KBPBESRZSA-N 1 3 243.354 2.383 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CN)C2)C[C@H](C)O1 ZINC000379928232 993297343 /nfs/dbraw/zinc/29/73/43/993297343.db2.gz TVMHHFDHKHFVSX-CRWXNKLISA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CN)C2)C[C@H](C)O1 ZINC000379928232 993297348 /nfs/dbraw/zinc/29/73/48/993297348.db2.gz TVMHHFDHKHFVSX-CRWXNKLISA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001576648384 993384015 /nfs/dbraw/zinc/38/40/15/993384015.db2.gz YLNXSWLIRCAFNO-QUGYJXMDSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CNCC2(C)C)C1 ZINC001576678715 993391020 /nfs/dbraw/zinc/39/10/20/993391020.db2.gz OJXYCZHRLQUHSU-FRRDWIJNSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]1C[NH2+]C[C@@H](NC[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851126 993434765 /nfs/dbraw/zinc/43/47/65/993434765.db2.gz XWJZCVPCYWFEBK-SAXRGWBVSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H](Cc1ccco1)[N@@H+]1CCCC[C@H](CN)C1 ZINC000383652634 993508539 /nfs/dbraw/zinc/50/85/39/993508539.db2.gz DVOCYRQVWNACQJ-QWHCGFSZSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@@H](Cc1ccco1)[N@H+]1CCCC[C@H](CN)C1 ZINC000383652634 993508547 /nfs/dbraw/zinc/50/85/47/993508547.db2.gz DVOCYRQVWNACQJ-QWHCGFSZSA-N 1 3 236.359 2.271 20 0 BEADHO C[C@@H](Cc1ccco1)N1CCCC[C@H](C[NH3+])C1 ZINC000383652634 993508559 /nfs/dbraw/zinc/50/85/59/993508559.db2.gz DVOCYRQVWNACQJ-QWHCGFSZSA-N 1 3 236.359 2.271 20 0 BEADHO CC[C@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](N)C1 ZINC001577254370 993564196 /nfs/dbraw/zinc/56/41/96/993564196.db2.gz JVGQQARKDPIACJ-RNJOBUHISA-N 1 3 210.365 2.282 20 0 BEADHO CCCSC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001577596950 993690277 /nfs/dbraw/zinc/69/02/77/993690277.db2.gz NSKBMHKCZGUWHU-SDDRHHMPSA-N 1 3 230.421 2.248 20 0 BEADHO CCCSC[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001577596950 993690282 /nfs/dbraw/zinc/69/02/82/993690282.db2.gz NSKBMHKCZGUWHU-SDDRHHMPSA-N 1 3 230.421 2.248 20 0 BEADHO CC1CCC([N@@H+]2CCC[C@@H](N)CC2)CC1 ZINC000393196294 993909840 /nfs/dbraw/zinc/90/98/40/993909840.db2.gz AHVWCICJQCWFPY-OTTFEQOBSA-N 1 3 210.365 2.378 20 0 BEADHO CC1CCC([N@H+]2CCC[C@@H](N)CC2)CC1 ZINC000393196294 993909851 /nfs/dbraw/zinc/90/98/51/993909851.db2.gz AHVWCICJQCWFPY-OTTFEQOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001621108268 1170717209 /nfs/dbraw/zinc/71/72/09/1170717209.db2.gz KWWHDXMPDBDEPF-GZBLMMOJSA-N 1 3 236.403 2.495 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001621569797 1170854160 /nfs/dbraw/zinc/85/41/60/1170854160.db2.gz FBDVZMFMTKOXJO-DGAVXFQQSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](CN)C1 ZINC000300932636 349452690 /nfs/dbraw/zinc/45/26/90/349452690.db2.gz NYEIBRCAASJISC-STQMWFEESA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](CN)C1 ZINC000300932636 349452693 /nfs/dbraw/zinc/45/26/93/349452693.db2.gz NYEIBRCAASJISC-STQMWFEESA-N 1 3 212.381 2.339 20 0 BEADHO C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CC1 ZINC000161703094 538917591 /nfs/dbraw/zinc/91/75/91/538917591.db2.gz PFODZOTXPQGLFC-ZIAGYGMSSA-N 1 3 222.376 2.393 20 0 BEADHO C(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC1CC1 ZINC000161703094 538917593 /nfs/dbraw/zinc/91/75/93/538917593.db2.gz PFODZOTXPQGLFC-ZIAGYGMSSA-N 1 3 222.376 2.393 20 0 BEADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC1CC1 ZINC000161703094 538917589 /nfs/dbraw/zinc/91/75/89/538917589.db2.gz PFODZOTXPQGLFC-ZIAGYGMSSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(CC)[C@H]([NH2+][C@H](C)C[C@H](C)N)C[C@H]1OC ZINC000422943706 398159248 /nfs/dbraw/zinc/15/92/48/398159248.db2.gz RDGURCYWILVPJI-UMSGYPCISA-N 1 3 242.407 2.296 20 0 BEADHO CCC1(CC)[C@H](N[C@H](C)C[C@H](C)[NH3+])C[C@H]1OC ZINC000422943706 398159252 /nfs/dbraw/zinc/15/92/52/398159252.db2.gz RDGURCYWILVPJI-UMSGYPCISA-N 1 3 242.407 2.296 20 0 BEADHO Cc1ccccc1C1(CN[C@@H](C)C2C[NH2+]C2)CC1 ZINC000422907327 398157365 /nfs/dbraw/zinc/15/73/65/398157365.db2.gz WYHYJCDMWXITOB-ZDUSSCGKSA-N 1 3 244.382 2.224 20 0 BEADHO Cc1ccccc1C1(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000422907327 398157366 /nfs/dbraw/zinc/15/73/66/398157366.db2.gz WYHYJCDMWXITOB-ZDUSSCGKSA-N 1 3 244.382 2.224 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCOC1CCCCC1 ZINC000422941830 398159795 /nfs/dbraw/zinc/15/97/95/398159795.db2.gz IPSZMPDKWDSSGN-NEPJUHHUSA-N 1 3 228.380 2.051 20 0 BEADHO Cc1cc(CNCC2=CC[N@H+](C)CC2)cs1 ZINC000294669419 178021154 /nfs/dbraw/zinc/02/11/54/178021154.db2.gz AIXBYTKPRJEHMV-UHFFFAOYSA-N 1 3 236.384 2.408 20 0 BEADHO Cc1cc(CNCC2=CC[N@@H+](C)CC2)cs1 ZINC000294669419 178021156 /nfs/dbraw/zinc/02/11/56/178021156.db2.gz AIXBYTKPRJEHMV-UHFFFAOYSA-N 1 3 236.384 2.408 20 0 BEADHO Cc1cc(C[NH2+]C[C@H](C)CN(C)C)cs1 ZINC000295623134 178024186 /nfs/dbraw/zinc/02/41/86/178024186.db2.gz FGJDWAXHKQPKOE-JTQLQIEISA-N 1 3 226.389 2.344 20 0 BEADHO C[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814613 398170400 /nfs/dbraw/zinc/17/04/00/398170400.db2.gz PTZUNLMPGVRZRO-UTUOFQBUSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814613 398170402 /nfs/dbraw/zinc/17/04/02/398170402.db2.gz PTZUNLMPGVRZRO-UTUOFQBUSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422976843 398161438 /nfs/dbraw/zinc/16/14/38/398161438.db2.gz VQBKKHYNAZVXCW-RDBSUJKOSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000423174525 398164026 /nfs/dbraw/zinc/16/40/26/398164026.db2.gz CIAXKJHKAAOLBX-CIUDSAMLSA-N 1 3 226.286 2.290 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)CC(F)(F)F ZINC000423174527 398164341 /nfs/dbraw/zinc/16/43/41/398164341.db2.gz CIAXKJHKAAOLBX-VGMNWLOBSA-N 1 3 226.286 2.290 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)(C)C)C1CNC1 ZINC000423174437 398164653 /nfs/dbraw/zinc/16/46/53/398164653.db2.gz CDKRGHHHZZIYQW-CYZMBNFOSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCN1)C1C(C)(C)C1(C)C ZINC000423233165 398165313 /nfs/dbraw/zinc/16/53/13/398165313.db2.gz JIBRNIHBPCBFJL-QWRGUYRKSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)CC(F)F ZINC000647801218 398207638 /nfs/dbraw/zinc/20/76/38/398207638.db2.gz RPGXYIBZMATDBU-AXFHLTTASA-N 1 3 234.334 2.385 20 0 BEADHO CCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000187707520 259304054 /nfs/dbraw/zinc/30/40/54/259304054.db2.gz SUOIYUUXAWCDRU-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[C@@H](C)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000187707520 259304056 /nfs/dbraw/zinc/30/40/56/259304056.db2.gz SUOIYUUXAWCDRU-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)c2ccccc21 ZINC000252790959 136227016 /nfs/dbraw/zinc/22/70/16/136227016.db2.gz SWEPYNYPJLXDLL-KCPJHIHWSA-N 1 3 246.354 2.290 20 0 BEADHO Fc1ccc(CNCC2CC[NH2+]CC2)c(F)c1 ZINC000094010417 398244587 /nfs/dbraw/zinc/24/45/87/398244587.db2.gz GTMNPKZCBFSDSR-UHFFFAOYSA-N 1 3 240.297 2.054 20 0 BEADHO C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386090437 398263016 /nfs/dbraw/zinc/26/30/16/398263016.db2.gz IBILQXKYVZLGMM-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO Fc1ccc(CNCC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000259047502 349542748 /nfs/dbraw/zinc/54/27/48/349542748.db2.gz QAQWMZIAZNNKIS-SNVBAGLBSA-N 1 3 240.297 2.054 20 0 BEADHO CCC(CC)[N@H+](CCOC)C[C@@H]1CCCNC1 ZINC000042681749 168374872 /nfs/dbraw/zinc/37/48/72/168374872.db2.gz RSLLRDNOXXOJJV-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CCC(CC)[N@@H+](CCOC)C[C@@H]1CCCNC1 ZINC000042681749 168374873 /nfs/dbraw/zinc/37/48/73/168374873.db2.gz RSLLRDNOXXOJJV-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000251307756 398268642 /nfs/dbraw/zinc/26/86/42/398268642.db2.gz JHDLNWFINJHWCL-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000348109801 136234277 /nfs/dbraw/zinc/23/42/77/136234277.db2.gz ZITBKZLCCIZSGY-KBUPBQIOSA-N 1 3 234.387 2.391 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H]1C ZINC000083389772 398280506 /nfs/dbraw/zinc/28/05/06/398280506.db2.gz NUVFNGJUGRABEX-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000040622283 538971703 /nfs/dbraw/zinc/97/17/03/538971703.db2.gz DVLASFIIZGGXPS-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CCC[C@H](C)CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000625096963 342852076 /nfs/dbraw/zinc/85/20/76/342852076.db2.gz HSDDUOVEMFXCHE-BFHYXJOUSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300231804 259326897 /nfs/dbraw/zinc/32/68/97/259326897.db2.gz IWYPRVVTNGZCAG-CHWSQXEVSA-N 1 3 242.432 2.059 20 0 BEADHO CC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000036169893 342894445 /nfs/dbraw/zinc/89/44/45/342894445.db2.gz DQMJOFRFMSIZNX-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000036169893 342894447 /nfs/dbraw/zinc/89/44/47/342894447.db2.gz DQMJOFRFMSIZNX-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000232728135 342879349 /nfs/dbraw/zinc/87/93/49/342879349.db2.gz FELIBMYCWFOYPT-RYUDHWBXSA-N 1 3 210.365 2.282 20 0 BEADHO CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871909 342908941 /nfs/dbraw/zinc/90/89/41/342908941.db2.gz KUKRNAUGFUSGAA-OCCSQVGLSA-N 1 3 222.376 2.345 20 0 BEADHO CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871909 342908942 /nfs/dbraw/zinc/90/89/42/342908942.db2.gz KUKRNAUGFUSGAA-OCCSQVGLSA-N 1 3 222.376 2.345 20 0 BEADHO CCO[C@H]1C[C@H](NCCC[NH2+]C(C)C)C1(C)C ZINC000233760484 342912486 /nfs/dbraw/zinc/91/24/86/342912486.db2.gz YYXWWJYPWUQFBQ-STQMWFEESA-N 1 3 242.407 2.168 20 0 BEADHO Cc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000109683406 398327715 /nfs/dbraw/zinc/32/77/15/398327715.db2.gz IEPFVXMATSDZIW-GASCZTMLSA-N 1 3 244.382 2.263 20 0 BEADHO CCNCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000576814627 365691106 /nfs/dbraw/zinc/69/11/06/365691106.db2.gz FXMNNLJGFDILLL-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918941 343003257 /nfs/dbraw/zinc/00/32/57/343003257.db2.gz WETHOZHNAZOARE-TZMCWYRMSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918941 343003259 /nfs/dbraw/zinc/00/32/59/343003259.db2.gz WETHOZHNAZOARE-TZMCWYRMSA-N 1 3 222.376 2.344 20 0 BEADHO C[C@@H]1C[NH+](Cc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000211967422 343017108 /nfs/dbraw/zinc/01/71/08/343017108.db2.gz RSSAORPTRDZZSI-CHWSQXEVSA-N 1 3 244.382 2.420 20 0 BEADHO CC1(C)C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000045116848 534932073 /nfs/dbraw/zinc/93/20/73/534932073.db2.gz RTQDSGZKWSCWOI-CQSZACIVSA-N 1 3 245.370 2.439 20 0 BEADHO Cc1ccc(CN(C)CCC[NH3+])cc1C ZINC000049668648 343114308 /nfs/dbraw/zinc/11/43/08/343114308.db2.gz REYRHPYXVCSKNJ-UHFFFAOYSA-N 1 3 206.333 2.084 20 0 BEADHO C[C@@H](Cc1ccsc1)N[C@H]1CCC[NH2+]CC1 ZINC000168737472 343210594 /nfs/dbraw/zinc/21/05/94/343210594.db2.gz IDHUHLLPSVGBJJ-AAEUAGOBSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCNCC1 ZINC000168737472 343210596 /nfs/dbraw/zinc/21/05/96/343210596.db2.gz IDHUHLLPSVGBJJ-AAEUAGOBSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000335613058 136295677 /nfs/dbraw/zinc/29/56/77/136295677.db2.gz RWLYBTLHCIWDAM-ONGXEEELSA-N 1 3 232.318 2.009 20 0 BEADHO CN(CC1CCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000082493362 343442514 /nfs/dbraw/zinc/44/25/14/343442514.db2.gz NZHUSEDBVPAZKP-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2N)ccc1F ZINC000258862206 136374143 /nfs/dbraw/zinc/37/41/43/136374143.db2.gz FOSCGRZEPZFWHL-STQMWFEESA-N 1 3 222.307 2.104 20 0 BEADHO C[C@H]1CC[N@H+](CCC2CCC2)C[C@@H]1CN ZINC000398701227 488222203 /nfs/dbraw/zinc/22/22/03/488222203.db2.gz KBUWTBZEIMGUGB-AAEUAGOBSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1CN ZINC000398701227 488222206 /nfs/dbraw/zinc/22/22/06/488222206.db2.gz KBUWTBZEIMGUGB-AAEUAGOBSA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)CC[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000087646113 343656369 /nfs/dbraw/zinc/65/63/69/343656369.db2.gz SVFFDSYYQDXKEY-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000577054379 365795216 /nfs/dbraw/zinc/79/52/16/365795216.db2.gz GASLCIZQOCQJLO-NEPJUHHUSA-N 1 3 210.365 2.140 20 0 BEADHO CC1(C)CC(C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000577054381 365795376 /nfs/dbraw/zinc/79/53/76/365795376.db2.gz GASLCIZQOCQJLO-RYUDHWBXSA-N 1 3 210.365 2.140 20 0 BEADHO Cc1ccsc1C[NH2+]CC1(N)CCC1 ZINC000088052336 343698894 /nfs/dbraw/zinc/69/88/94/343698894.db2.gz KOVIBGNWDOLASV-UHFFFAOYSA-N 1 3 210.346 2.028 20 0 BEADHO CCc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527783 343781239 /nfs/dbraw/zinc/78/12/39/343781239.db2.gz PBCQXKULBZXKSP-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336665059 537816560 /nfs/dbraw/zinc/81/65/60/537816560.db2.gz LKBNVBQAPVKWGX-KBPBESRZSA-N 1 3 222.376 2.273 20 0 BEADHO C/C=C/C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000384716508 343960123 /nfs/dbraw/zinc/96/01/23/343960123.db2.gz FZCKUJYJOPUAFF-NSCUHMNNSA-N 1 3 231.343 2.216 20 0 BEADHO CC1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000634733977 344114602 /nfs/dbraw/zinc/11/46/02/344114602.db2.gz TYTSQFNKTLLMNE-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)CN1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086250057 344213774 /nfs/dbraw/zinc/21/37/74/344213774.db2.gz NODJAHNLMBAKEP-UHFFFAOYSA-N 1 3 235.375 2.225 20 0 BEADHO CCC(CC)C[NH2+]C[C@]1(C)CCCNC1 ZINC000130406411 344220330 /nfs/dbraw/zinc/22/03/30/344220330.db2.gz HXSGAXCHNFNCAT-CYBMUJFWSA-N 1 3 212.381 2.402 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336691816 192069389 /nfs/dbraw/zinc/06/93/89/192069389.db2.gz WYZJPLUFHVWFMT-RDBSUJKOSA-N 1 3 224.392 2.352 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccc2F)C1 ZINC000093209728 344312245 /nfs/dbraw/zinc/31/22/45/344312245.db2.gz GKTZXNQQPJAUQJ-CHWSQXEVSA-N 1 3 236.334 2.228 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccc2F)C1 ZINC000093209722 344312273 /nfs/dbraw/zinc/31/22/73/344312273.db2.gz GKTZXNQQPJAUQJ-QWHCGFSZSA-N 1 3 236.334 2.228 20 0 BEADHO CN(CC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041051911 344416501 /nfs/dbraw/zinc/41/65/01/344416501.db2.gz KUZLFUYNHGAYQJ-FOSCPWQOSA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)C[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000042559896 344458363 /nfs/dbraw/zinc/45/83/63/344458363.db2.gz RHKHNROQKDUASW-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)C[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000042559896 344458365 /nfs/dbraw/zinc/45/83/65/344458365.db2.gz RHKHNROQKDUASW-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCF ZINC000389331099 344459895 /nfs/dbraw/zinc/45/98/95/344459895.db2.gz LSBQSZKBCBJWRI-RYUDHWBXSA-N 1 3 216.344 2.246 20 0 BEADHO [NH3+]C1(CNCCCOCc2ccccc2)CCC1 ZINC000390018817 259379258 /nfs/dbraw/zinc/37/92/58/259379258.db2.gz AACNTFRFFGQNOK-UHFFFAOYSA-N 1 3 248.370 2.064 20 0 BEADHO CSCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000166365971 344875670 /nfs/dbraw/zinc/87/56/70/344875670.db2.gz HTRNBUQUWMVIBD-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO CSCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000166365971 344875672 /nfs/dbraw/zinc/87/56/72/344875672.db2.gz HTRNBUQUWMVIBD-UHFFFAOYSA-N 1 3 230.421 2.202 20 0 BEADHO CC1CCC(C)([NH2+]CC23CC(C2)CN3)CC1 ZINC000634993273 345189639 /nfs/dbraw/zinc/18/96/39/345189639.db2.gz PKGQOZBQSPHINI-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO CC1CCC(C)(NCC23CC(C2)C[NH2+]3)CC1 ZINC000634993273 345189642 /nfs/dbraw/zinc/18/96/42/345189642.db2.gz PKGQOZBQSPHINI-UHFFFAOYSA-N 1 3 222.376 2.297 20 0 BEADHO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000634998154 345197079 /nfs/dbraw/zinc/19/70/79/345197079.db2.gz BMDVDFQNAVSIOM-TZMCWYRMSA-N 1 3 248.370 2.030 20 0 BEADHO C1CC12CCC[C@H]2[NH2+][C@@H]1CCCNCC1 ZINC000634998049 345197310 /nfs/dbraw/zinc/19/73/10/345197310.db2.gz ZTRVOEFXMQDBJV-VXGBXAGGSA-N 1 3 208.349 2.051 20 0 BEADHO CC(C)C[C@H]([NH3+])CN[C@@]12C[C@@H]1CCCC2 ZINC000635001286 345197532 /nfs/dbraw/zinc/19/75/32/345197532.db2.gz MYURTFBZYIGUGK-AVGNSLFASA-N 1 3 210.365 2.282 20 0 BEADHO CCc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998167 345197551 /nfs/dbraw/zinc/19/75/51/345197551.db2.gz BTJGHYYNNDMFQW-GHMZBOCLSA-N 1 3 238.400 2.337 20 0 BEADHO C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C[NH3+] ZINC000634998233 345197966 /nfs/dbraw/zinc/19/79/66/345197966.db2.gz CITPPGOSINXVLR-VZFGUZNESA-N 1 3 230.355 2.226 20 0 BEADHO CC[C@](C)(NCCC[NH3+])c1ccc(F)cc1 ZINC000634999155 345199617 /nfs/dbraw/zinc/19/96/17/345199617.db2.gz QSKLURAHMFGSAJ-ZDUSSCGKSA-N 1 3 224.323 2.389 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](CN)C2)c1C ZINC000634999871 345201134 /nfs/dbraw/zinc/20/11/34/345201134.db2.gz BKPQJXSXFCFNIB-SWLSCSKDSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)c1C ZINC000634999871 345201136 /nfs/dbraw/zinc/20/11/36/345201136.db2.gz BKPQJXSXFCFNIB-SWLSCSKDSA-N 1 3 232.371 2.330 20 0 BEADHO CC[C@H](N[C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000635004481 345207502 /nfs/dbraw/zinc/20/75/02/345207502.db2.gz PFSUHTUTAFZJAG-AVGNSLFASA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000635004481 345207504 /nfs/dbraw/zinc/20/75/04/345207504.db2.gz PFSUHTUTAFZJAG-AVGNSLFASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000635004223 345207613 /nfs/dbraw/zinc/20/76/13/345207613.db2.gz NOLDUJYGHHPLDE-OSRDXIQISA-N 1 3 248.370 2.232 20 0 BEADHO Cc1cc([C@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)no1 ZINC000635005865 345210031 /nfs/dbraw/zinc/21/00/31/345210031.db2.gz PSPMCGKTTYFXFK-SRVKXCTJSA-N 1 3 237.347 2.151 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CNc2ccccc21 ZINC000635010078 345212095 /nfs/dbraw/zinc/21/20/95/345212095.db2.gz XYXZJZPIJCJWOG-XQQFMLRXSA-N 1 3 247.386 2.301 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635011123 345212977 /nfs/dbraw/zinc/21/29/77/345212977.db2.gz MHBATPVWVMNCNK-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012630 345214621 /nfs/dbraw/zinc/21/46/21/345214621.db2.gz UUFYOVUJMJSHED-NEPJUHHUSA-N 1 3 212.381 2.399 20 0 BEADHO N[C@@H](CC[NH2+]C1CCCC1)Cc1ccccc1 ZINC000635007808 345214873 /nfs/dbraw/zinc/21/48/73/345214873.db2.gz XXZPQVKHHMTLCH-AWEZNQCLSA-N 1 3 232.371 2.479 20 0 BEADHO CC(C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000051208072 345314089 /nfs/dbraw/zinc/31/40/89/345314089.db2.gz XYKJWSHRILXYAS-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158612150 345357293 /nfs/dbraw/zinc/35/72/93/345357293.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158612150 345357297 /nfs/dbraw/zinc/35/72/97/345357297.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158612150 345357300 /nfs/dbraw/zinc/35/73/00/345357300.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158612150 345357303 /nfs/dbraw/zinc/35/73/03/345357303.db2.gz AYPGVLVFQCYHSV-ZIAGYGMSSA-N 1 3 224.392 2.449 20 0 BEADHO CCOC(C)(C)CNC1CC[NH+](C(C)C)CC1 ZINC000159165037 345413991 /nfs/dbraw/zinc/41/39/91/345413991.db2.gz BZXDQYAOEMBKTD-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO CCOC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159307471 345421774 /nfs/dbraw/zinc/42/17/74/345421774.db2.gz RMQKLACBZCGNJY-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO CCOC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159307471 345421778 /nfs/dbraw/zinc/42/17/78/345421778.db2.gz RMQKLACBZCGNJY-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO c1cnc2c(c1)cccc2C[NH2+]C1CCNCC1 ZINC000159308784 345422749 /nfs/dbraw/zinc/42/27/49/345422749.db2.gz WJJKCIWYVHPROJ-UHFFFAOYSA-N 1 3 241.338 2.076 20 0 BEADHO CC(C)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634498 345488547 /nfs/dbraw/zinc/48/85/47/345488547.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634498 345488548 /nfs/dbraw/zinc/48/85/48/345488548.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000081634498 345488549 /nfs/dbraw/zinc/48/85/49/345488549.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000081634498 345488550 /nfs/dbraw/zinc/48/85/50/345488550.db2.gz FWQPWETUNNWRKW-CQSZACIVSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636369 345488817 /nfs/dbraw/zinc/48/88/17/345488817.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636369 345488819 /nfs/dbraw/zinc/48/88/19/345488819.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000081636369 345488822 /nfs/dbraw/zinc/48/88/22/345488822.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000081636369 345488824 /nfs/dbraw/zinc/48/88/24/345488824.db2.gz AKYXCMLBQAYLRP-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CCCOCC)C1 ZINC000081570259 345479248 /nfs/dbraw/zinc/47/92/48/345479248.db2.gz OLLKTIBXNHFRRN-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CCCOCC)C1 ZINC000081570259 345479250 /nfs/dbraw/zinc/47/92/50/345479250.db2.gz OLLKTIBXNHFRRN-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO Cc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000309013154 178889558 /nfs/dbraw/zinc/88/95/58/178889558.db2.gz YDOGSQURYXDPBO-RYUDHWBXSA-N 1 3 206.333 2.240 20 0 BEADHO CCC[N@H+](CC)CCCN(CC)CC ZINC000219260908 345745601 /nfs/dbraw/zinc/74/56/01/345745601.db2.gz TYFXYJLYKMSPGV-UHFFFAOYSA-N 1 3 200.370 2.450 20 0 BEADHO CCC[N@@H+](CC)CCCN(CC)CC ZINC000219260908 345745605 /nfs/dbraw/zinc/74/56/05/345745605.db2.gz TYFXYJLYKMSPGV-UHFFFAOYSA-N 1 3 200.370 2.450 20 0 BEADHO CCCN(CC)CCC[NH+](CC)CC ZINC000219260908 345745606 /nfs/dbraw/zinc/74/56/06/345745606.db2.gz TYFXYJLYKMSPGV-UHFFFAOYSA-N 1 3 200.370 2.450 20 0 BEADHO CC(C)C1CCC([NH2+]CC2CNC2)CC1 ZINC000204892393 345732175 /nfs/dbraw/zinc/73/21/75/345732175.db2.gz SYDBYOGTXSTNFX-UHFFFAOYSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccc(C)c1CN1CCC[C@H](C[NH3+])C1 ZINC000149341100 179034331 /nfs/dbraw/zinc/03/43/31/179034331.db2.gz PZTPLJBTFBIGEE-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](CN)C1 ZINC000149341100 179034333 /nfs/dbraw/zinc/03/43/33/179034333.db2.gz PZTPLJBTFBIGEE-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H](CN)C1 ZINC000149341100 179034335 /nfs/dbraw/zinc/03/43/35/179034335.db2.gz PZTPLJBTFBIGEE-CQSZACIVSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCNC2)[C@H]1C ZINC000669378551 537969333 /nfs/dbraw/zinc/96/93/33/537969333.db2.gz GODLHYWPBQHANE-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCNC2)[C@H]1C ZINC000669378551 537969338 /nfs/dbraw/zinc/96/93/38/537969338.db2.gz GODLHYWPBQHANE-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1cccc(C[NH2+]CC2=CCN(C)CC2)c1 ZINC000271822905 179089244 /nfs/dbraw/zinc/08/92/44/179089244.db2.gz NCHPDJNWQHXZHE-UHFFFAOYSA-N 1 3 230.355 2.347 20 0 BEADHO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](CN)C1CC1 ZINC000580062461 346502360 /nfs/dbraw/zinc/50/23/60/346502360.db2.gz FCJBLANSYTWOKO-RISCZKNCSA-N 1 3 248.370 2.392 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCc1ccsc1 ZINC000641800644 362751379 /nfs/dbraw/zinc/75/13/79/362751379.db2.gz CETAEZWAUMSPCU-RYUDHWBXSA-N 1 3 238.400 2.396 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)C1(C)C)c1ccccc1 ZINC000641801100 362755568 /nfs/dbraw/zinc/75/55/68/362755568.db2.gz NBYMOGMNNLOWQI-HZSPNIEDSA-N 1 3 248.370 2.090 20 0 BEADHO CC1(C)c2ccccc2CCN1C[C@@H]1CC[NH2+]C1 ZINC000641802131 362758592 /nfs/dbraw/zinc/75/85/92/362758592.db2.gz XWTHCGPRIHCHHY-CYBMUJFWSA-N 1 3 244.382 2.389 20 0 BEADHO C[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)c1ccccc1 ZINC000216056198 349971790 /nfs/dbraw/zinc/97/17/90/349971790.db2.gz VKIQLAPYQKBGDH-MGPQQGTHSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)c1ccccc1 ZINC000216056198 349971792 /nfs/dbraw/zinc/97/17/92/349971792.db2.gz VKIQLAPYQKBGDH-MGPQQGTHSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CN1CCCC1 ZINC000380055721 365829791 /nfs/dbraw/zinc/82/97/91/365829791.db2.gz NFIWDWRFZSIXOJ-LXTVHRRPSA-N 1 3 236.403 2.497 20 0 BEADHO CSC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000300870449 346614077 /nfs/dbraw/zinc/61/40/77/346614077.db2.gz QOZFZHFPMZSVKY-LLVKDONJSA-N 1 3 230.421 2.187 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3c(c2)COC3)C1 ZINC000577204757 365875710 /nfs/dbraw/zinc/87/57/10/365875710.db2.gz IFJPBQVIMMEKTK-GJZGRUSLSA-N 1 3 246.354 2.076 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3c(c2)COC3)C1 ZINC000577204758 365875778 /nfs/dbraw/zinc/87/57/78/365875778.db2.gz IFJPBQVIMMEKTK-HUUCEWRRSA-N 1 3 246.354 2.076 20 0 BEADHO Cc1cccc([C@@H](C)[N@@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313352779 179179007 /nfs/dbraw/zinc/17/90/07/179179007.db2.gz LTDOBSNNVSFANF-HIFRSBDPSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1cccc([C@@H](C)[N@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313352779 179179009 /nfs/dbraw/zinc/17/90/09/179179009.db2.gz LTDOBSNNVSFANF-HIFRSBDPSA-N 1 3 248.370 2.106 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000324209178 323136096 /nfs/dbraw/zinc/13/60/96/323136096.db2.gz CQGUHTDKGKSPFH-DGCLKSJQSA-N 1 3 210.365 2.010 20 0 BEADHO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000390253088 347294530 /nfs/dbraw/zinc/29/45/30/347294530.db2.gz VDOYEDZLOUYLNI-ZJUUUORDSA-N 1 3 220.307 2.281 20 0 BEADHO c1csc(C[NH2+]CCCN2CCCC2)c1 ZINC000020128956 347409080 /nfs/dbraw/zinc/40/90/80/347409080.db2.gz IVOUSKQTXAMGRM-UHFFFAOYSA-N 1 3 224.373 2.324 20 0 BEADHO CN1CC=C(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000390508129 347372956 /nfs/dbraw/zinc/37/29/56/347372956.db2.gz YBCOBUAUYDJWKK-UHFFFAOYSA-N 1 3 220.360 2.027 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000577214322 365884281 /nfs/dbraw/zinc/88/42/81/365884281.db2.gz AYZXYHNWBWRCOL-UWVGGRQHSA-N 1 3 210.365 2.138 20 0 BEADHO Cc1ccccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994570 179275497 /nfs/dbraw/zinc/27/54/97/179275497.db2.gz WZCRCJHCLXTUJJ-HNNXBMFYSA-N 1 3 230.355 2.180 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000228074033 179276681 /nfs/dbraw/zinc/27/66/81/179276681.db2.gz UHUWXBOGCHTLEN-CHWSQXEVSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000228074033 179276682 /nfs/dbraw/zinc/27/66/82/179276682.db2.gz UHUWXBOGCHTLEN-CHWSQXEVSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000105480761 179284957 /nfs/dbraw/zinc/28/49/57/179284957.db2.gz KZMIYWIKDADWTO-ZFWWWQNUSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000105480761 179284958 /nfs/dbraw/zinc/28/49/58/179284958.db2.gz KZMIYWIKDADWTO-ZFWWWQNUSA-N 1 3 232.371 2.425 20 0 BEADHO CCS[C@@H]1CC[C@@H](N(C)C[C@H]2CC[NH2+]C2)C1 ZINC000592476775 347791242 /nfs/dbraw/zinc/79/12/42/347791242.db2.gz YQOSOLKYZUKUQU-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO CSCC1(CC[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000596649692 348605126 /nfs/dbraw/zinc/60/51/26/348605126.db2.gz FEQMKWNHSRQPPL-MNOVXSKESA-N 1 3 230.421 2.235 20 0 BEADHO CCSC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000596650119 348605537 /nfs/dbraw/zinc/60/55/37/348605537.db2.gz GURNUVWSIHAHOM-RYUDHWBXSA-N 1 3 242.432 2.250 20 0 BEADHO C[NH2+]C[C@@H](C)NC1CCC(CSC)CC1 ZINC000596653757 348607709 /nfs/dbraw/zinc/60/77/09/348607709.db2.gz DTFFGRNPVDFTTJ-VOMCLLRMSA-N 1 3 230.421 2.106 20 0 BEADHO C[C@H]([N@H+](C)C[C@H]1CCCNC1)C(C)(C)C ZINC000251028812 349181879 /nfs/dbraw/zinc/18/18/79/349181879.db2.gz HJRDZGYJMGOCRP-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]([N@@H+](C)C[C@H]1CCCNC1)C(C)(C)C ZINC000251028812 349181883 /nfs/dbraw/zinc/18/18/83/349181883.db2.gz HJRDZGYJMGOCRP-RYUDHWBXSA-N 1 3 212.381 2.352 20 0 BEADHO COC1([C@H](C)[NH2+]C[C@H](C)CN(C)C)CCCC1 ZINC000421853147 192389791 /nfs/dbraw/zinc/38/97/91/192389791.db2.gz IPHBFUOETMMYHM-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000250475315 349171160 /nfs/dbraw/zinc/17/11/60/349171160.db2.gz AHDNCOBMGLDNLK-NEPJUHHUSA-N 1 3 210.365 2.105 20 0 BEADHO Cc1csc([C@H](C)N[C@@H](C)CCC[NH3+])n1 ZINC000336659886 179796061 /nfs/dbraw/zinc/79/60/61/179796061.db2.gz BPQNDKGDHDQTGQ-WPRPVWTQSA-N 1 3 227.377 2.230 20 0 BEADHO C[C@H]([NH2+]CC(C1CCC1)C1CCC1)C1CNC1 ZINC000530213027 323216985 /nfs/dbraw/zinc/21/69/85/323216985.db2.gz SVJNWYXFWPQLLM-NSHDSACASA-N 1 3 236.403 2.400 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCC[C@H]2C)C1 ZINC000252107118 349195859 /nfs/dbraw/zinc/19/58/59/349195859.db2.gz HEWSJGGECOMNGV-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)CC1CC1 ZINC000131442384 191015597 /nfs/dbraw/zinc/01/55/97/191015597.db2.gz DVDNHUCXJYKLFI-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1nc([C@@H](C)NCCCC[NH+](C)C)cs1 ZINC000045663926 180035138 /nfs/dbraw/zinc/03/51/38/180035138.db2.gz CHPRHUNWXQMPDV-SNVBAGLBSA-N 1 3 241.404 2.444 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000384029352 350124015 /nfs/dbraw/zinc/12/40/15/350124015.db2.gz BRQAFALETJUUNW-AVGNSLFASA-N 1 3 242.432 2.237 20 0 BEADHO c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422749162 192452106 /nfs/dbraw/zinc/45/21/06/192452106.db2.gz XVFWYFAGZIBFMW-YIONKMFJSA-N 1 3 230.355 2.102 20 0 BEADHO C[N@@H+]1CC[C@@H](NCCC(C)(F)F)CC1(C)C ZINC000623534187 362954149 /nfs/dbraw/zinc/95/41/49/362954149.db2.gz BQODFJGJJWPBKE-SNVBAGLBSA-N 1 3 234.334 2.494 20 0 BEADHO C[N@H+]1CC[C@@H](NCCC(C)(F)F)CC1(C)C ZINC000623534187 362954153 /nfs/dbraw/zinc/95/41/53/362954153.db2.gz BQODFJGJJWPBKE-SNVBAGLBSA-N 1 3 234.334 2.494 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+]C1CCNCC1 ZINC000038041067 350302414 /nfs/dbraw/zinc/30/24/14/350302414.db2.gz RVOMLLLDISPJQE-SNVBAGLBSA-N 1 3 224.373 2.021 20 0 BEADHO C[C@H](Cc1cccs1)NC1CC[NH2+]CC1 ZINC000038041067 350302416 /nfs/dbraw/zinc/30/24/16/350302416.db2.gz RVOMLLLDISPJQE-SNVBAGLBSA-N 1 3 224.373 2.021 20 0 BEADHO C[N@@H+]1CC[C@H](NCCC(C)(F)F)CC1(C)C ZINC000623534186 362953756 /nfs/dbraw/zinc/95/37/56/362953756.db2.gz BQODFJGJJWPBKE-JTQLQIEISA-N 1 3 234.334 2.494 20 0 BEADHO C[N@H+]1CC[C@H](NCCC(C)(F)F)CC1(C)C ZINC000623534186 362953760 /nfs/dbraw/zinc/95/37/60/362953760.db2.gz BQODFJGJJWPBKE-JTQLQIEISA-N 1 3 234.334 2.494 20 0 BEADHO CCC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623535261 362954614 /nfs/dbraw/zinc/95/46/14/362954614.db2.gz SARGAMSPGZTZGI-STQMWFEESA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623535261 362954618 /nfs/dbraw/zinc/95/46/18/362954618.db2.gz SARGAMSPGZTZGI-STQMWFEESA-N 1 3 242.407 2.264 20 0 BEADHO Cc1ncsc1C[NH2+]CC(C)(C)CN(C)C ZINC000084149115 180320451 /nfs/dbraw/zinc/32/04/51/180320451.db2.gz BXHVWOITULAQFU-UHFFFAOYSA-N 1 3 241.404 2.129 20 0 BEADHO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000162812278 350438440 /nfs/dbraw/zinc/43/84/40/350438440.db2.gz POBXYQPNWNRYIN-UONOGXRCSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000162812278 350438443 /nfs/dbraw/zinc/43/84/43/350438443.db2.gz POBXYQPNWNRYIN-UONOGXRCSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1ccncc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623539463 362958608 /nfs/dbraw/zinc/95/86/08/362958608.db2.gz PKKFRFNBGCIUQQ-AWEZNQCLSA-N 1 3 247.386 2.352 20 0 BEADHO C[C@@H]1CCN(CCC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000577481854 365963512 /nfs/dbraw/zinc/96/35/12/365963512.db2.gz GGONNHQUKJXBBT-AGIUHOORSA-N 1 3 210.365 2.236 20 0 BEADHO COc1cccc2c1CCC[C@H]2NC[C@@H](C)C[NH3+] ZINC000577482271 365963563 /nfs/dbraw/zinc/96/35/63/365963563.db2.gz YTSBFUCZKATLBP-SMDDNHRTSA-N 1 3 248.370 2.257 20 0 BEADHO C[C@@H]1CC[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)O1 ZINC000623545188 362965256 /nfs/dbraw/zinc/96/52/56/362965256.db2.gz AAXAGOUQTLARPD-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1CC[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545188 362965259 /nfs/dbraw/zinc/96/52/59/362965259.db2.gz AAXAGOUQTLARPD-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000228914343 191108359 /nfs/dbraw/zinc/10/83/59/191108359.db2.gz WREZXLNJRZAORT-WOPDTQHZSA-N 1 3 210.365 2.425 20 0 BEADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)COC(C)C)C1 ZINC000337308023 350571831 /nfs/dbraw/zinc/57/18/31/350571831.db2.gz SSIFMHYNRPMPMM-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)COC(C)C)C1 ZINC000337308023 350571834 /nfs/dbraw/zinc/57/18/34/350571834.db2.gz SSIFMHYNRPMPMM-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCCC[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336691299 350984094 /nfs/dbraw/zinc/98/40/94/350984094.db2.gz PSFRJFLOSHKMGP-NWDGAFQWSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@H](N[C@H]1CCC[C@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000577611603 366017215 /nfs/dbraw/zinc/01/72/15/366017215.db2.gz TWALEVYVDCCQEL-CYDGBPFRSA-N 1 3 228.355 2.387 20 0 BEADHO CC[NH+](CC)CCCN(C)C[C@@H]1CCCOC1 ZINC000177959327 366072706 /nfs/dbraw/zinc/07/27/06/366072706.db2.gz ZYVWLQSVCAYNJR-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000177959327 366072715 /nfs/dbraw/zinc/07/27/15/366072715.db2.gz ZYVWLQSVCAYNJR-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000177959327 366072722 /nfs/dbraw/zinc/07/27/22/366072722.db2.gz ZYVWLQSVCAYNJR-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]CC1(N)CCCCC1 ZINC000414847531 351856479 /nfs/dbraw/zinc/85/64/79/351856479.db2.gz VDBTYYLZVNUTNZ-ZDUSSCGKSA-N 1 3 242.407 2.299 20 0 BEADHO COC[C@H](CC(C)C)NCC1([NH3+])CCCCC1 ZINC000414847531 351856480 /nfs/dbraw/zinc/85/64/80/351856480.db2.gz VDBTYYLZVNUTNZ-ZDUSSCGKSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)CN1CCCC1 ZINC000638385752 352194470 /nfs/dbraw/zinc/19/44/70/352194470.db2.gz JWCDXUYCVIDJMV-IJLUTSLNSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](CN[C@H](C)[C@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000638385752 352194473 /nfs/dbraw/zinc/19/44/73/352194473.db2.gz JWCDXUYCVIDJMV-IJLUTSLNSA-N 1 3 246.345 2.352 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CCCC[C@H]1OC ZINC000037211032 358471022 /nfs/dbraw/zinc/47/10/22/358471022.db2.gz MFJYQWWYRRLRNP-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000037211032 358471026 /nfs/dbraw/zinc/47/10/26/358471026.db2.gz MFJYQWWYRRLRNP-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO COCc1cccc(C[NH2+]C2(C)CCNCC2)c1 ZINC000414946935 352370558 /nfs/dbraw/zinc/37/05/58/352370558.db2.gz VBAZWSHPHFKHQU-UHFFFAOYSA-N 1 3 248.370 2.065 20 0 BEADHO C[C@@H](C[N@@H+]1CCCNCC1)c1ccc(F)cc1 ZINC000041271332 352605571 /nfs/dbraw/zinc/60/55/71/352605571.db2.gz XGELVAJDZJNKQI-LBPRGKRZSA-N 1 3 236.334 2.225 20 0 BEADHO C[C@@H](C[N@H+]1CCCNCC1)c1ccc(F)cc1 ZINC000041271332 352605575 /nfs/dbraw/zinc/60/55/75/352605575.db2.gz XGELVAJDZJNKQI-LBPRGKRZSA-N 1 3 236.334 2.225 20 0 BEADHO [NH3+]CCCN[C@H]1CCc2c1cccc2Cl ZINC000415087835 352567120 /nfs/dbraw/zinc/56/71/20/352567120.db2.gz VENZPMCCVQXOIH-LBPRGKRZSA-N 1 3 224.735 2.266 20 0 BEADHO CN(CC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042011635 352617030 /nfs/dbraw/zinc/61/70/30/352617030.db2.gz ZASRIPYKYIYQQE-PBWFPOADSA-N 1 3 222.376 2.391 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+]CCCN)C[C@@H]1C ZINC000336688772 188083116 /nfs/dbraw/zinc/08/31/16/188083116.db2.gz VUZUNMYFUOZYDT-AVGNSLFASA-N 1 3 212.381 2.386 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCS1 ZINC000128074109 188084933 /nfs/dbraw/zinc/08/49/33/188084933.db2.gz RUXARMORPGJVPC-AGIUHOORSA-N 1 3 240.416 2.098 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCS1 ZINC000128074109 188084934 /nfs/dbraw/zinc/08/49/34/188084934.db2.gz RUXARMORPGJVPC-AGIUHOORSA-N 1 3 240.416 2.098 20 0 BEADHO COc1ccccc1CNCC1=CC[N@H+](C)CC1 ZINC000271867202 188090637 /nfs/dbraw/zinc/09/06/37/188090637.db2.gz WPGBCLGLYUEYPU-UHFFFAOYSA-N 1 3 246.354 2.047 20 0 BEADHO COc1ccccc1CNCC1=CC[N@@H+](C)CC1 ZINC000271867202 188090638 /nfs/dbraw/zinc/09/06/38/188090638.db2.gz WPGBCLGLYUEYPU-UHFFFAOYSA-N 1 3 246.354 2.047 20 0 BEADHO C1CC1N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250940918 188086855 /nfs/dbraw/zinc/08/68/55/188086855.db2.gz ZKIHBVNAKCCARB-JHJVBQTASA-N 1 3 208.349 2.049 20 0 BEADHO C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCN4CCC[C@H]4C3)[C@@H]12 ZINC000306073395 188154606 /nfs/dbraw/zinc/15/46/06/188154606.db2.gz DNFJOCUWIWKGKC-CAEXGNQWSA-N 1 3 234.387 2.391 20 0 BEADHO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CCCNC1 ZINC000132111528 188222095 /nfs/dbraw/zinc/22/20/95/188222095.db2.gz RMBALCRMIDJFKC-WFWUXJIDSA-N 1 3 248.414 2.400 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970278 353293651 /nfs/dbraw/zinc/29/36/51/353293651.db2.gz YCWOXAIQSXHGFV-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000251970278 353293652 /nfs/dbraw/zinc/29/36/52/353293652.db2.gz YCWOXAIQSXHGFV-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH3+] ZINC000252368455 363229948 /nfs/dbraw/zinc/22/99/48/363229948.db2.gz OXJYWERKFNGMGY-ZIAGYGMSSA-N 1 3 218.344 2.246 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccs3)C[C@@H]21 ZINC000230126739 353473265 /nfs/dbraw/zinc/47/32/65/353473265.db2.gz FUMKYKSMYPIVMB-WCFLWFBJSA-N 1 3 236.384 2.307 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCSC1 ZINC000231348347 353595087 /nfs/dbraw/zinc/59/50/87/353595087.db2.gz LFRXWXHHKJRCCX-JHJVBQTASA-N 1 3 242.432 2.392 20 0 BEADHO CC1(C)CC[N@H+](C[C@H]2CCCNC2)CCS1 ZINC000231047870 353560733 /nfs/dbraw/zinc/56/07/33/353560733.db2.gz YETSKADZOAQYGM-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)CC[N@@H+](C[C@H]2CCCNC2)CCS1 ZINC000231047870 353560735 /nfs/dbraw/zinc/56/07/35/353560735.db2.gz YETSKADZOAQYGM-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CC1(C)CCN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000231047870 353560739 /nfs/dbraw/zinc/56/07/39/353560739.db2.gz YETSKADZOAQYGM-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CCC[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106240 353612880 /nfs/dbraw/zinc/61/28/80/353612880.db2.gz XLRLXKYMIRCJJE-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000639106240 353612883 /nfs/dbraw/zinc/61/28/83/353612883.db2.gz XLRLXKYMIRCJJE-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CCC[C@H](CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000639106240 353612886 /nfs/dbraw/zinc/61/28/86/353612886.db2.gz XLRLXKYMIRCJJE-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)[N@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000232662036 353752940 /nfs/dbraw/zinc/75/29/40/353752940.db2.gz OMQLHSAKNZTGKO-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[N@@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000232662036 353752943 /nfs/dbraw/zinc/75/29/43/353752943.db2.gz OMQLHSAKNZTGKO-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H]1CN(C)CCC[NH+]1CCCC1 ZINC000343614024 353933755 /nfs/dbraw/zinc/93/37/55/353933755.db2.gz IPDSJZKCPKORNS-OLZOCXBDSA-N 1 3 210.365 2.060 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639170024 354096758 /nfs/dbraw/zinc/09/67/58/354096758.db2.gz OGBFBLISKRDBMK-APIJFGDWSA-N 1 3 236.403 2.352 20 0 BEADHO CC[C@@H](C)[C@@H](CN(CC)CCC[NH+](C)C)OC ZINC000639175026 354190828 /nfs/dbraw/zinc/19/08/28/354190828.db2.gz GNOBGTUDKUDURI-ZIAGYGMSSA-N 1 3 244.423 2.321 20 0 BEADHO COCC1CCC([NH2+]CCCNC(C)C)CC1 ZINC000578062656 366208921 /nfs/dbraw/zinc/20/89/21/366208921.db2.gz JBFFSLMTSJHIFV-UHFFFAOYSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](N)C1 ZINC000346034007 354862329 /nfs/dbraw/zinc/86/23/29/354862329.db2.gz DQZGZHSCMXTHEQ-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](N)C1 ZINC000346034007 354862334 /nfs/dbraw/zinc/86/23/34/354862334.db2.gz DQZGZHSCMXTHEQ-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO Cc1cccc(C)c1CN[C@H](C)CC[NH3+] ZINC000235441051 363443477 /nfs/dbraw/zinc/44/34/77/363443477.db2.gz LZJVGEIRTFKPBG-GFCCVEGCSA-N 1 3 206.333 2.130 20 0 BEADHO C1CC2(CCCC2)[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000335177548 354947850 /nfs/dbraw/zinc/94/78/50/354947850.db2.gz IRNSGHPRAMGQNC-VXGBXAGGSA-N 1 3 208.349 2.051 20 0 BEADHO Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000335164186 354951153 /nfs/dbraw/zinc/95/11/53/354951153.db2.gz OTTVKAJQHHAZLT-WDEREUQCSA-N 1 3 210.346 2.026 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCSC2)CC1 ZINC000335196455 355029700 /nfs/dbraw/zinc/02/97/00/355029700.db2.gz WHQAXQVMOZSSMG-CHWSQXEVSA-N 1 3 242.432 2.156 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)CC1 ZINC000335196455 355029701 /nfs/dbraw/zinc/02/97/01/355029701.db2.gz WHQAXQVMOZSSMG-CHWSQXEVSA-N 1 3 242.432 2.156 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215935 355054335 /nfs/dbraw/zinc/05/43/35/355054335.db2.gz KORIKVQSEDSUNM-KGLIPLIRSA-N 1 3 241.338 2.204 20 0 BEADHO COc1ccc([C@@H]2CC[N@H+](CC(C)(C)N)C2)cc1 ZINC000346828871 355128892 /nfs/dbraw/zinc/12/88/92/355128892.db2.gz JEKLYWHNQVKPEC-CYBMUJFWSA-N 1 3 248.370 2.222 20 0 BEADHO COc1ccc([C@@H]2CC[N@@H+](CC(C)(C)N)C2)cc1 ZINC000346828871 355128896 /nfs/dbraw/zinc/12/88/96/355128896.db2.gz JEKLYWHNQVKPEC-CYBMUJFWSA-N 1 3 248.370 2.222 20 0 BEADHO CCCCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000040506806 358494134 /nfs/dbraw/zinc/49/41/34/358494134.db2.gz IFZFBRCSFFJZCR-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CCCCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000040506806 358494138 /nfs/dbraw/zinc/49/41/38/358494138.db2.gz IFZFBRCSFFJZCR-BFHYXJOUSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000346869031 355158460 /nfs/dbraw/zinc/15/84/60/355158460.db2.gz KDXPHBUAKQZPEO-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CO[C@H](C)[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000346869031 355158461 /nfs/dbraw/zinc/15/84/61/355158461.db2.gz KDXPHBUAKQZPEO-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO C1CC1[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000335252438 355207473 /nfs/dbraw/zinc/20/74/73/355207473.db2.gz PHGDWRJMMREHRO-GXTWGEPZSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346965928 355173467 /nfs/dbraw/zinc/17/34/67/355173467.db2.gz CELFRZSTANHTBY-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346965928 355173471 /nfs/dbraw/zinc/17/34/71/355173471.db2.gz CELFRZSTANHTBY-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO Fc1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000335241754 355176763 /nfs/dbraw/zinc/17/67/63/355176763.db2.gz PPEJIUGAWFHUOI-GFCCVEGCSA-N 1 3 248.345 2.183 20 0 BEADHO Cc1ccccc1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000335256226 355189770 /nfs/dbraw/zinc/18/97/70/355189770.db2.gz FDJAELUVTCOHTB-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO CCC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346997592 355195883 /nfs/dbraw/zinc/19/58/83/355195883.db2.gz XMERJWBPIGIDBO-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346997592 355195887 /nfs/dbraw/zinc/19/58/87/355195887.db2.gz XMERJWBPIGIDBO-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000347012161 355204824 /nfs/dbraw/zinc/20/48/24/355204824.db2.gz UUSFBSJTNKRNJK-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000347012161 355204827 /nfs/dbraw/zinc/20/48/27/355204827.db2.gz UUSFBSJTNKRNJK-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000347012161 355204828 /nfs/dbraw/zinc/20/48/28/355204828.db2.gz UUSFBSJTNKRNJK-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO CCC[NH+]1CCC(N(C)C[C@H](CC)OC)CC1 ZINC000412974735 191344670 /nfs/dbraw/zinc/34/46/70/191344670.db2.gz CLQOBUCKWUXJAD-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO C[N@H+](CCCCNCc1ccns1)C1CC1 ZINC000639245432 355269721 /nfs/dbraw/zinc/26/97/21/355269721.db2.gz XVPUNCFADGKUSL-UHFFFAOYSA-N 1 3 239.388 2.107 20 0 BEADHO C[N@@H+](CCCCNCc1ccns1)C1CC1 ZINC000639245432 355269725 /nfs/dbraw/zinc/26/97/25/355269725.db2.gz XVPUNCFADGKUSL-UHFFFAOYSA-N 1 3 239.388 2.107 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CS[C@H](C)C1 ZINC000639290066 355444715 /nfs/dbraw/zinc/44/47/15/355444715.db2.gz PTSRBDLLOLSHAA-OLZOCXBDSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CS[C@H](C)C1 ZINC000639290066 355444718 /nfs/dbraw/zinc/44/47/18/355444718.db2.gz PTSRBDLLOLSHAA-OLZOCXBDSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639290066 355444721 /nfs/dbraw/zinc/44/47/21/355444721.db2.gz PTSRBDLLOLSHAA-OLZOCXBDSA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)CN(C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000639290882 355466254 /nfs/dbraw/zinc/46/62/54/355466254.db2.gz WNZFHFDCNZLEIC-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCNC1 ZINC000414867058 191607665 /nfs/dbraw/zinc/60/76/65/191607665.db2.gz FYTUOYQBUBMXIX-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414858957 191603492 /nfs/dbraw/zinc/60/34/92/191603492.db2.gz LQUDVNLADCUDAO-VHSXEESVSA-N 1 3 238.297 2.307 20 0 BEADHO CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000261569443 535284892 /nfs/dbraw/zinc/28/48/92/535284892.db2.gz JUHMPSMLHJAUNA-SOUVJXGZSA-N 1 3 248.370 2.128 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1C1CC1 ZINC000414967619 191635805 /nfs/dbraw/zinc/63/58/05/191635805.db2.gz XWHKVTAUWJPBHA-KGYLQXTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](F)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000352050004 134046113 /nfs/dbraw/zinc/04/61/13/134046113.db2.gz PHZKIIJNTKAAHR-RYUDHWBXSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@H](F)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000352050004 134046114 /nfs/dbraw/zinc/04/61/14/134046114.db2.gz PHZKIIJNTKAAHR-RYUDHWBXSA-N 1 3 216.344 2.008 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639346660 355793250 /nfs/dbraw/zinc/79/32/50/355793250.db2.gz HUHHWKWZSLIQFD-XQLPTFJDSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CC1(F)F ZINC000639347487 355793581 /nfs/dbraw/zinc/79/35/81/355793581.db2.gz ODVUMYZZZGKQRS-TUAOUCFPSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)[C@@H]1CC1(F)F ZINC000639347487 355793586 /nfs/dbraw/zinc/79/35/86/355793586.db2.gz ODVUMYZZZGKQRS-TUAOUCFPSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CC1(F)F ZINC000639347487 355793591 /nfs/dbraw/zinc/79/35/91/355793591.db2.gz ODVUMYZZZGKQRS-TUAOUCFPSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)OC ZINC000639347804 355794733 /nfs/dbraw/zinc/79/47/33/355794733.db2.gz QYOUJVSKGRARKJ-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](CNC[C@H]1CCCC[N@H+](C)C1)OC ZINC000639347804 355794738 /nfs/dbraw/zinc/79/47/38/355794738.db2.gz QYOUJVSKGRARKJ-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](CNC[C@H]1CCCC[N@@H+](C)C1)OC ZINC000639347804 355794742 /nfs/dbraw/zinc/79/47/42/355794742.db2.gz QYOUJVSKGRARKJ-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1C ZINC000216009415 355795714 /nfs/dbraw/zinc/79/57/14/355795714.db2.gz XERLLWGCXCOUPZ-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](CN)C[C@@H]2C)cc1C ZINC000216009415 355795718 /nfs/dbraw/zinc/79/57/18/355795718.db2.gz XERLLWGCXCOUPZ-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)cc1C ZINC000216009415 355795721 /nfs/dbraw/zinc/79/57/21/355795721.db2.gz XERLLWGCXCOUPZ-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CCC1(N(C)C)CC[NH+](CC2CC2)CC1 ZINC000639379574 355914913 /nfs/dbraw/zinc/91/49/13/355914913.db2.gz QPMNOCYEMLCDPS-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000420264620 192191800 /nfs/dbraw/zinc/19/18/00/192191800.db2.gz ASGMHYVCUFFGLO-HIFRSBDPSA-N 1 3 247.386 2.216 20 0 BEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCCc1ccncc1 ZINC000420264620 192191802 /nfs/dbraw/zinc/19/18/02/192191802.db2.gz ASGMHYVCUFFGLO-HIFRSBDPSA-N 1 3 247.386 2.216 20 0 BEADHO COc1ccc([C@@H](C[NH3+])CN(C)CC2CC2)cc1 ZINC000420320501 192195779 /nfs/dbraw/zinc/19/57/79/192195779.db2.gz QKJSJXUMMUDUPL-AWEZNQCLSA-N 1 3 248.370 2.079 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CCCc1ccncc1 ZINC000420287067 192201684 /nfs/dbraw/zinc/20/16/84/192201684.db2.gz HJJJJQGBJVFVJR-HNNXBMFYSA-N 1 3 249.402 2.319 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCc2ccncc2)C1 ZINC000420292678 192202830 /nfs/dbraw/zinc/20/28/30/192202830.db2.gz PVJXNQJUOOGUTD-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO CCc1cccc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000420317221 192212269 /nfs/dbraw/zinc/21/22/69/192212269.db2.gz MRSUGQPYIOETSF-DOMZBBRYSA-N 1 3 232.371 2.418 20 0 BEADHO c1ccc(CN(CC[C@H]2CC[NH2+]C2)C2CC2)nc1 ZINC000420370796 192228628 /nfs/dbraw/zinc/22/86/28/192228628.db2.gz ZEOHVOXRPRNUCI-CYBMUJFWSA-N 1 3 245.370 2.046 20 0 BEADHO CCc1ccc(CCN(C)C2CC([NH3+])C2)cc1 ZINC000420328614 192229092 /nfs/dbraw/zinc/22/90/92/192229092.db2.gz HTXQUKBKOQAGFE-UHFFFAOYSA-N 1 3 232.371 2.213 20 0 BEADHO [NH3+]C[C@H]1CN(CCCC2CCCC2)CCCO1 ZINC000420389672 192234944 /nfs/dbraw/zinc/23/49/44/192234944.db2.gz MHYGGKPXEDYSOQ-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO NC[C@H]1C[N@H+](CCCC2CCCC2)CCCO1 ZINC000420389672 192234946 /nfs/dbraw/zinc/23/49/46/192234946.db2.gz MHYGGKPXEDYSOQ-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO NC[C@H]1C[N@@H+](CCCC2CCCC2)CCCO1 ZINC000420389672 192234948 /nfs/dbraw/zinc/23/49/48/192234948.db2.gz MHYGGKPXEDYSOQ-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO CNCCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000420395544 192237203 /nfs/dbraw/zinc/23/72/03/192237203.db2.gz DMSQANOYWNOLPB-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000420399468 192237916 /nfs/dbraw/zinc/23/79/16/192237916.db2.gz HYRUSEONKDVQMR-CHWSQXEVSA-N 1 3 233.359 2.122 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000422945023 192513807 /nfs/dbraw/zinc/51/38/07/192513807.db2.gz SYMRZDWZPXWVTN-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](NC1CC(c2ccccc2)C1)C1C[NH2+]C1 ZINC000422967322 192528773 /nfs/dbraw/zinc/52/87/73/192528773.db2.gz OXHLIPJOIHVFCD-ZOODHJKOSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@H]([NH2+]C1CC(c2ccccc2)C1)C1CNC1 ZINC000422967322 192528776 /nfs/dbraw/zinc/52/87/76/192528776.db2.gz OXHLIPJOIHVFCD-ZOODHJKOSA-N 1 3 230.355 2.130 20 0 BEADHO CC(C)C1CC([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000423077637 192561230 /nfs/dbraw/zinc/56/12/30/192561230.db2.gz MLQRICWFRCOTRN-KBHBFKLGSA-N 1 3 224.392 2.399 20 0 BEADHO CCc1cc(N2CC[C@H](C[N@@H+](C)CC)C2)ccn1 ZINC000450364885 202144551 /nfs/dbraw/zinc/14/45/51/202144551.db2.gz ZINIEGIMIGRCAD-CYBMUJFWSA-N 1 3 247.386 2.422 20 0 BEADHO CCc1cc(N2CC[C@H](C[N@H+](C)CC)C2)ccn1 ZINC000450364885 202144554 /nfs/dbraw/zinc/14/45/54/202144554.db2.gz ZINIEGIMIGRCAD-CYBMUJFWSA-N 1 3 247.386 2.422 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779058 356725887 /nfs/dbraw/zinc/72/58/87/356725887.db2.gz WYRWRDBXFUZIOY-KGLIPLIRSA-N 1 3 248.374 2.031 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779058 356725889 /nfs/dbraw/zinc/72/58/89/356725889.db2.gz WYRWRDBXFUZIOY-KGLIPLIRSA-N 1 3 248.374 2.031 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423170765 192605403 /nfs/dbraw/zinc/60/54/03/192605403.db2.gz YULOCWKZSKEVHA-DOERSZECSA-N 1 3 222.376 2.010 20 0 BEADHO CCCCOCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623383434 356907312 /nfs/dbraw/zinc/90/73/12/356907312.db2.gz UHLYAEYHBUCAFG-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO CCCCOCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383434 356907317 /nfs/dbraw/zinc/90/73/17/356907317.db2.gz UHLYAEYHBUCAFG-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO C[N@@H+]1CC[C@H](NCCOC(C)(C)C)CC1(C)C ZINC000623385380 356910164 /nfs/dbraw/zinc/91/01/64/356910164.db2.gz HVORWHQQQQXMKB-LBPRGKRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[N@H+]1CC[C@H](NCCOC(C)(C)C)CC1(C)C ZINC000623385380 356910166 /nfs/dbraw/zinc/91/01/66/356910166.db2.gz HVORWHQQQQXMKB-LBPRGKRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCCCO2)CC1(C)C ZINC000623377437 356896764 /nfs/dbraw/zinc/89/67/64/356896764.db2.gz ZAARRMJNQDBTMJ-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CC[C@@H](NC[C@H]2CCCCO2)CC1(C)C ZINC000623377437 356896767 /nfs/dbraw/zinc/89/67/67/356896767.db2.gz ZAARRMJNQDBTMJ-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO CCCCOCCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000119592278 357029266 /nfs/dbraw/zinc/02/92/66/357029266.db2.gz SLKJOVXCXFVEHJ-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCCCOCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000119592278 357029268 /nfs/dbraw/zinc/02/92/68/357029268.db2.gz SLKJOVXCXFVEHJ-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCNC1 ZINC000423221096 192631995 /nfs/dbraw/zinc/63/19/95/192631995.db2.gz WFNAUWOCNFVBDM-YNEHKIRRSA-N 1 3 222.376 2.297 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000390872667 357119133 /nfs/dbraw/zinc/11/91/33/357119133.db2.gz POUWKOKRRMDEJJ-HBNTYKKESA-N 1 3 232.318 2.281 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCC2(F)F)C1 ZINC000390872667 357119136 /nfs/dbraw/zinc/11/91/36/357119136.db2.gz POUWKOKRRMDEJJ-HBNTYKKESA-N 1 3 232.318 2.281 20 0 BEADHO CCN1CC[C@@H]([NH2+]CC(C)(C)F)[C@H](C)C1 ZINC000631659596 357189981 /nfs/dbraw/zinc/18/99/81/357189981.db2.gz RZNPZROMJYUSDJ-GHMZBOCLSA-N 1 3 216.344 2.054 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000304365264 325145740 /nfs/dbraw/zinc/14/57/40/325145740.db2.gz FFYHAEMWNOEDRZ-FRRDWIJNSA-N 1 3 242.432 2.058 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[N@H+](C)CCCN)C1 ZINC000394504799 357363270 /nfs/dbraw/zinc/36/32/70/357363270.db2.gz FCASSFUWLJELPC-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[N@@H+](C)CCCN)C1 ZINC000394504799 357363272 /nfs/dbraw/zinc/36/32/72/357363272.db2.gz FCASSFUWLJELPC-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]1CCC[C@@H](CN(C)CCC[NH3+])C1 ZINC000394504799 357363274 /nfs/dbraw/zinc/36/32/74/357363274.db2.gz FCASSFUWLJELPC-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CCCOc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000583191441 357515906 /nfs/dbraw/zinc/51/59/06/357515906.db2.gz BUGCQGGIBWAGBG-UHFFFAOYSA-N 1 3 248.370 2.446 20 0 BEADHO CCN(CC)CCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000191545775 357784376 /nfs/dbraw/zinc/78/43/76/357784376.db2.gz GGCUZXIREOCWQQ-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)CCCN1C[C@H]2CCC[C@@H]2C1 ZINC000191545775 357784381 /nfs/dbraw/zinc/78/43/81/357784381.db2.gz GGCUZXIREOCWQQ-ZIAGYGMSSA-N 1 3 224.392 2.450 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCC2(F)CCC2)C1 ZINC000583763863 357938511 /nfs/dbraw/zinc/93/85/11/357938511.db2.gz MQLGIPDSUMFQBZ-QWRGUYRKSA-N 1 3 214.328 2.128 20 0 BEADHO COCc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000584517360 358028813 /nfs/dbraw/zinc/02/88/13/358028813.db2.gz VXYYTBQSEBVEFX-HUUCEWRRSA-N 1 3 248.370 2.193 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCC2CC2)c2ccccc21 ZINC000169232403 134250286 /nfs/dbraw/zinc/25/02/86/134250286.db2.gz MUEQIPSIOVLDGY-OLZOCXBDSA-N 1 3 202.301 2.131 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000584585631 358099819 /nfs/dbraw/zinc/09/98/19/358099819.db2.gz OQLISOSSOBKKBD-FMSGJZPZSA-N 1 3 245.370 2.298 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)Cc1cccs1)CN(C)C ZINC000390372780 491122104 /nfs/dbraw/zinc/12/21/04/491122104.db2.gz WIAAKQJBKNOCTN-NEPJUHHUSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+]C[C@H](C)CN(C)C ZINC000390372781 491122118 /nfs/dbraw/zinc/12/21/18/491122118.db2.gz WIAAKQJBKNOCTN-NWDGAFQWSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@@H](CC[N@@H+]1CCCNCC1)c1ccccc1 ZINC000043536052 358539960 /nfs/dbraw/zinc/53/99/60/358539960.db2.gz KDLFGRFGSCXCDR-AWEZNQCLSA-N 1 3 232.371 2.476 20 0 BEADHO C[C@@H](CC[N@H+]1CCCNCC1)c1ccccc1 ZINC000043536052 358539962 /nfs/dbraw/zinc/53/99/62/358539962.db2.gz KDLFGRFGSCXCDR-AWEZNQCLSA-N 1 3 232.371 2.476 20 0 BEADHO C1CC1C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000130153104 358610345 /nfs/dbraw/zinc/61/03/45/358610345.db2.gz WPRNTUTZTOAJER-UONOGXRCSA-N 1 3 234.387 2.391 20 0 BEADHO CCCCOCC[N@H+](CCC)C1CCNCC1 ZINC000049264102 358678496 /nfs/dbraw/zinc/67/84/96/358678496.db2.gz QGYURZPXXSYOGN-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO CCCCOCC[N@@H+](CCC)C1CCNCC1 ZINC000049264102 358678497 /nfs/dbraw/zinc/67/84/97/358678497.db2.gz QGYURZPXXSYOGN-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO CCCCOCCN(CCC)C1CC[NH2+]CC1 ZINC000049264102 358678498 /nfs/dbraw/zinc/67/84/98/358678498.db2.gz QGYURZPXXSYOGN-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000132416313 491135843 /nfs/dbraw/zinc/13/58/43/491135843.db2.gz XAYYSTZSAJEYPP-IACUBPJLSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cccc2cccnc21 ZINC000136134559 358865002 /nfs/dbraw/zinc/86/50/02/358865002.db2.gz DWJRVABTYGIIDU-NSHDSACASA-N 1 3 229.327 2.062 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000086404705 358968366 /nfs/dbraw/zinc/96/83/66/358968366.db2.gz SXPHMFZZMFGWJD-STQMWFEESA-N 1 3 222.376 2.282 20 0 BEADHO CC(C)O[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C1(C)C ZINC000423315962 192702448 /nfs/dbraw/zinc/70/24/48/192702448.db2.gz BHVDIRCNJSDQDW-VXGBXAGGSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1C[C@H]1C ZINC000423348664 192724138 /nfs/dbraw/zinc/72/41/38/192724138.db2.gz UGXARFUCYAZQJI-VOAKCMCISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)C1CCCCC1 ZINC000423458310 192778231 /nfs/dbraw/zinc/77/82/31/192778231.db2.gz PZFMGDBCVDOQDK-WPTOEGHWSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)CCCN2 ZINC000423450097 192774810 /nfs/dbraw/zinc/77/48/10/192774810.db2.gz SICRYUSBUFDWOL-RYUDHWBXSA-N 1 3 247.386 2.260 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCS[C@H](C)CC1 ZINC000379530568 359536427 /nfs/dbraw/zinc/53/64/27/359536427.db2.gz CJCXOFFQNDMWDE-VXGBXAGGSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCS[C@H](C)CC1 ZINC000379530568 359536430 /nfs/dbraw/zinc/53/64/30/359536430.db2.gz CJCXOFFQNDMWDE-VXGBXAGGSA-N 1 3 230.421 2.187 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000379542096 359540163 /nfs/dbraw/zinc/54/01/63/359540163.db2.gz QUTUZVRXRHLLJV-UTLUCORTSA-N 1 3 212.362 2.004 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@](C)(COC)C1 ZINC000451202091 202378564 /nfs/dbraw/zinc/37/85/64/202378564.db2.gz LWZHZFUGPHRKBL-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@](C)(COC)C1 ZINC000451202091 202378568 /nfs/dbraw/zinc/37/85/68/202378568.db2.gz LWZHZFUGPHRKBL-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOC1CCCCC1 ZINC000089150694 359993896 /nfs/dbraw/zinc/99/38/96/359993896.db2.gz WLEMJNDWGGERBG-OCCSQVGLSA-N 1 3 240.391 2.053 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000089150694 359993898 /nfs/dbraw/zinc/99/38/98/359993898.db2.gz WLEMJNDWGGERBG-OCCSQVGLSA-N 1 3 240.391 2.053 20 0 BEADHO CCOc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149829 359994004 /nfs/dbraw/zinc/99/40/04/359994004.db2.gz KMKUVOFNLRWKEV-HIFRSBDPSA-N 1 3 248.370 2.302 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@]2(C)CCCO2)CC1 ZINC000094797937 360318361 /nfs/dbraw/zinc/31/83/61/360318361.db2.gz CEWKCSDJBLDGIL-CQSZACIVSA-N 1 3 240.391 2.018 20 0 BEADHO CCSc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000414885781 200775506 /nfs/dbraw/zinc/77/55/06/200775506.db2.gz XKOHVIXHMFAWPG-LLVKDONJSA-N 1 3 238.400 2.483 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000629390214 361037968 /nfs/dbraw/zinc/03/79/68/361037968.db2.gz ANRDGSIDMLDRBB-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]CC1CCCCC1 ZINC000629390603 361044360 /nfs/dbraw/zinc/04/43/60/361044360.db2.gz IYQYUYZCNOCZSJ-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000629406191 361053814 /nfs/dbraw/zinc/05/38/14/361053814.db2.gz JYBWYRSPHTXCHH-HNCHTBHHSA-N 1 3 210.365 2.151 20 0 BEADHO CCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629409502 361058037 /nfs/dbraw/zinc/05/80/37/361058037.db2.gz HYVASTXUDFQHRO-YNEHKIRRSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629409909 361058146 /nfs/dbraw/zinc/05/81/46/361058146.db2.gz XTTFRFQIQSMPEX-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cccc2c1C[C@H](N[C@H](C)C[C@@H](C)[NH3+])CO2 ZINC000629513166 361109787 /nfs/dbraw/zinc/10/97/87/361109787.db2.gz FMJCENGYULFGEW-UPJWGTAASA-N 1 3 248.370 2.014 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000629527486 361130517 /nfs/dbraw/zinc/13/05/17/361130517.db2.gz WYNDXVURJKPHEE-NOOOWODRSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000629527491 361130669 /nfs/dbraw/zinc/13/06/69/361130669.db2.gz WYYVEOFBDTYNHN-WCFLWFBJSA-N 1 3 242.432 2.248 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000629527488 361131007 /nfs/dbraw/zinc/13/10/07/361131007.db2.gz WYNDXVURJKPHEE-WISYIIOYSA-N 1 3 210.365 2.151 20 0 BEADHO C[NH2+]CCOCCN[C@H]1C[C@H](C)c2ccccc21 ZINC000629530531 361144428 /nfs/dbraw/zinc/14/44/28/361144428.db2.gz JEHMYWIIVYZJLI-WFASDCNBSA-N 1 3 248.370 2.061 20 0 BEADHO Cc1ccc(C(C)(C)CNC2CC[NH2+]CC2)nc1 ZINC000629524034 361121543 /nfs/dbraw/zinc/12/15/43/361121543.db2.gz PVISYDQCTNXBLT-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+]C2CCNCC2)nc1 ZINC000629524034 361121551 /nfs/dbraw/zinc/12/15/51/361121551.db2.gz PVISYDQCTNXBLT-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO CCSCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000158584815 361205146 /nfs/dbraw/zinc/20/51/46/361205146.db2.gz LQPVYOPCANNBLS-LLVKDONJSA-N 1 3 218.410 2.045 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043656 370674190 /nfs/dbraw/zinc/67/41/90/370674190.db2.gz HBERAUSNUKQYJT-OUAUKWLOSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1cccs1 ZINC000622045752 370679547 /nfs/dbraw/zinc/67/95/47/370679547.db2.gz UXIHWOYSOHEGHP-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1cccs1 ZINC000622045752 370679552 /nfs/dbraw/zinc/67/95/52/370679552.db2.gz UXIHWOYSOHEGHP-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO CCO[C@H]1C[C@H](NCC[C@H](C)[NH3+])C12CCCC2 ZINC000622045416 370679712 /nfs/dbraw/zinc/67/97/12/370679712.db2.gz SNQCDUCBHZPYMA-AVGNSLFASA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@H]1C[C@H]([NH2+]CC[C@H](C)N)C12CCCC2 ZINC000622045416 370679715 /nfs/dbraw/zinc/67/97/15/370679715.db2.gz SNQCDUCBHZPYMA-AVGNSLFASA-N 1 3 240.391 2.051 20 0 BEADHO COC(C)(C)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429541356 201112019 /nfs/dbraw/zinc/11/20/19/201112019.db2.gz OPLJBKUXDNJOOT-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO COC(C)(C)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429541356 201112022 /nfs/dbraw/zinc/11/20/22/201112022.db2.gz OPLJBKUXDNJOOT-CYBMUJFWSA-N 1 3 242.407 2.218 20 0 BEADHO Cc1ccc([C@H](C)NCCOCCC[NH3+])s1 ZINC000629536968 361399888 /nfs/dbraw/zinc/39/98/88/361399888.db2.gz HYWHEENOWMXXMN-NSHDSACASA-N 1 3 242.388 2.073 20 0 BEADHO NC1(C[NH2+]Cc2ccccc2)CCCCC1 ZINC000040409766 181332725 /nfs/dbraw/zinc/33/27/25/181332725.db2.gz GZWQXEWAJBCPOR-UHFFFAOYSA-N 1 3 218.344 2.438 20 0 BEADHO NC1(C[NH2+]Cc2cccc3cccnc32)CCC1 ZINC000342135799 181332823 /nfs/dbraw/zinc/33/28/23/181332823.db2.gz LLMIFOURPGSMCN-UHFFFAOYSA-N 1 3 241.338 2.206 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538809 361403352 /nfs/dbraw/zinc/40/33/52/361403352.db2.gz LGZYTGISQNGURM-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CCSCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429555280 201114588 /nfs/dbraw/zinc/11/45/88/201114588.db2.gz VYFHVYAVIWGZPQ-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CCSCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429555280 201114590 /nfs/dbraw/zinc/11/45/90/201114590.db2.gz VYFHVYAVIWGZPQ-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CCC[C@](C)(N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429573220 201117839 /nfs/dbraw/zinc/11/78/39/201117839.db2.gz YFXOGACSBNCGFM-HZMBPMFUSA-N 1 3 249.358 2.162 20 0 BEADHO CCC[C@](C)(N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429573223 201118701 /nfs/dbraw/zinc/11/87/01/201118701.db2.gz YFXOGACSBNCGFM-YGRLFVJLSA-N 1 3 249.358 2.162 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629544287 361420537 /nfs/dbraw/zinc/42/05/37/361420537.db2.gz JBBDGIAWZIJJOG-LOWDOPEQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](C)CC[C@H]1C ZINC000629546489 361428002 /nfs/dbraw/zinc/42/80/02/361428002.db2.gz QBMTXZAWZOOYET-LBELIVKGSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000629546894 361429321 /nfs/dbraw/zinc/42/93/21/361429321.db2.gz QINCDNTTYOTUDW-XQQFMLRXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC1)[C@@H]1CCCC[C@H]1C ZINC000629553332 361438576 /nfs/dbraw/zinc/43/85/76/361438576.db2.gz WCBMGJYZCRCOOK-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NC[C@H]1CCCC12CC2)[C@H]1CCC[NH2+]1 ZINC000629554279 361439636 /nfs/dbraw/zinc/43/96/36/361439636.db2.gz HGYIPMFUXMZEAZ-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)[C@H]1CCCN1 ZINC000629554279 361439640 /nfs/dbraw/zinc/43/96/40/361439640.db2.gz HGYIPMFUXMZEAZ-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO CO[C@H]1C[C@@H](CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000629555521 361447171 /nfs/dbraw/zinc/44/71/71/361447171.db2.gz WHUPMEWIDANCAV-BAESOJJISA-N 1 3 246.354 2.146 20 0 BEADHO C[C@H]1CC[C@@H](NC2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542617 361419324 /nfs/dbraw/zinc/41/93/24/361419324.db2.gz HCVFLMLLGOYKLK-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563982 361458646 /nfs/dbraw/zinc/45/86/46/361458646.db2.gz IUOSXGIKQBVYGU-VHSXEESVSA-N 1 3 238.297 2.102 20 0 BEADHO CC[C@H](C)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562474 361455780 /nfs/dbraw/zinc/45/57/80/361455780.db2.gz NJTGPKHQWSSJMX-AEJSXWLSSA-N 1 3 238.297 2.244 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC000629566545 361457656 /nfs/dbraw/zinc/45/76/56/361457656.db2.gz ULBJZXXCCBKPAB-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)C(C)(C)C ZINC000629653617 361552627 /nfs/dbraw/zinc/55/26/27/361552627.db2.gz KQWACEXRIKQCDH-SDDRHHMPSA-N 1 3 212.381 2.399 20 0 BEADHO CCC[C@@H](C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665242 361595859 /nfs/dbraw/zinc/59/58/59/361595859.db2.gz LGQIKVPDNBPQCH-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000154413737 201277910 /nfs/dbraw/zinc/27/79/10/201277910.db2.gz HTCLUIDSMNLLHL-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000437771098 201371951 /nfs/dbraw/zinc/37/19/51/201371951.db2.gz GSVFCTLJGAUSLQ-HUUCEWRRSA-N 1 3 232.371 2.336 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156110854 201399148 /nfs/dbraw/zinc/39/91/48/201399148.db2.gz DPVZYFJCQRJZFN-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955071 364280360 /nfs/dbraw/zinc/28/03/60/364280360.db2.gz HEKRGNVBYBPGQN-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955072 364280726 /nfs/dbraw/zinc/28/07/26/364280726.db2.gz HEKRGNVBYBPGQN-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]CC1CCN(C/C=C/c2ccccc2)CC1 ZINC000044513348 181364931 /nfs/dbraw/zinc/36/49/31/181364931.db2.gz YTPVVJXNAPIVTL-QPJJXVBHSA-N 1 3 230.355 2.371 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000296589139 364784634 /nfs/dbraw/zinc/78/46/34/364784634.db2.gz XJHHCAXQJUQCMU-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000296589132 364784965 /nfs/dbraw/zinc/78/49/65/364784965.db2.gz XJHHCAXQJUQCMU-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CC2(C)CC2)CC1 ZINC000573541844 364855988 /nfs/dbraw/zinc/85/59/88/364855988.db2.gz MXBDXWRLIWFBKR-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CC2(C)CC2)CC1 ZINC000573541844 364855996 /nfs/dbraw/zinc/85/59/96/364855996.db2.gz MXBDXWRLIWFBKR-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH+](C)[C@H]1CCCN(CC2(C)CC2)CC1 ZINC000573541844 364856002 /nfs/dbraw/zinc/85/60/02/364856002.db2.gz MXBDXWRLIWFBKR-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO CCc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000168493516 364941099 /nfs/dbraw/zinc/94/10/99/364941099.db2.gz NJYPBLKGXSXSQP-MNOVXSKESA-N 1 3 238.400 2.480 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc(C(F)F)cc1 ZINC000574139059 364993893 /nfs/dbraw/zinc/99/38/93/364993893.db2.gz XHKDKQXYWMGDSJ-VIFPVBQESA-N 1 3 228.286 2.309 20 0 BEADHO N[C@H](C[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000579581004 366886966 /nfs/dbraw/zinc/88/69/66/366886966.db2.gz PAKQTYIDXMFCIQ-HIFRSBDPSA-N 1 3 245.370 2.260 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CC2CCC1CC2)C1CNC1 ZINC000575873235 365399453 /nfs/dbraw/zinc/39/94/53/365399453.db2.gz LNWMWSUZRCVKMN-KBJMEZGRSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)NCCC[NH2+][C@H](C(C)C)C1CC1 ZINC000575914102 365410926 /nfs/dbraw/zinc/41/09/26/365410926.db2.gz BYNMGUZNYOLGEU-CYBMUJFWSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1ccoc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827325 541482314 /nfs/dbraw/zinc/48/23/14/541482314.db2.gz RWKJLDCZPARPTC-TXEJJXNPSA-N 1 3 222.332 2.018 20 0 BEADHO CCN(CC)CCC[NH2+]C1(C2CC2)CC1 ZINC000380362753 367191618 /nfs/dbraw/zinc/19/16/18/367191618.db2.gz ZHMMNCHMIFQPQF-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](c2cccnc2)C2CC2)C1 ZINC000581143656 367277642 /nfs/dbraw/zinc/27/76/42/367277642.db2.gz XLGILDHLVTYSNR-QLFBSQMISA-N 1 3 245.370 2.392 20 0 BEADHO C[NH2+]CCSCCN(C)Cc1ccccc1 ZINC000581189505 367288732 /nfs/dbraw/zinc/28/87/32/367288732.db2.gz TWOYDTOJZLEIRC-UHFFFAOYSA-N 1 3 238.400 2.071 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000381390373 367392620 /nfs/dbraw/zinc/39/26/20/367392620.db2.gz NYXUNEYPERYAFS-MGPQQGTHSA-N 1 3 224.392 2.495 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000381390371 367393130 /nfs/dbraw/zinc/39/31/30/367393130.db2.gz NYXUNEYPERYAFS-MCIONIFRSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000381465734 367410712 /nfs/dbraw/zinc/41/07/12/367410712.db2.gz LDDZZYCVWBMIAG-OLZOCXBDSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000381465736 367410840 /nfs/dbraw/zinc/41/08/40/367410840.db2.gz LDDZZYCVWBMIAG-QWHCGFSZSA-N 1 3 224.392 2.495 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+]CCCNC1CC1)C2 ZINC000382550150 367537153 /nfs/dbraw/zinc/53/71/53/367537153.db2.gz SWTMRHSPQKBKPB-MRXNPFEDSA-N 1 3 244.382 2.276 20 0 BEADHO CC1CCC([NH2+]CCCNC2CC2)CC1 ZINC000382596925 367547277 /nfs/dbraw/zinc/54/72/77/367547277.db2.gz NJABVDJEGUGQBJ-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)OCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000382801172 367559139 /nfs/dbraw/zinc/55/91/39/367559139.db2.gz KMKNUFGOAPBHKU-CYBMUJFWSA-N 1 3 230.396 2.107 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000384512703 367695545 /nfs/dbraw/zinc/69/55/45/367695545.db2.gz HOXLCTAGFRESIV-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CC/C=C\CNC1CC[NH+](CCC)CC1 ZINC000384909720 367756549 /nfs/dbraw/zinc/75/65/49/367756549.db2.gz YGPGVWKABXRUFE-WAYWQWQTSA-N 1 3 210.365 2.417 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000581878552 367865566 /nfs/dbraw/zinc/86/55/66/367865566.db2.gz NYDVNYWJTDLHKD-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N[C@H]1CC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386103620 367912936 /nfs/dbraw/zinc/91/29/36/367912936.db2.gz KFOXVTHZSOXRRX-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NC[C@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000386100084 367913016 /nfs/dbraw/zinc/91/30/16/367913016.db2.gz JQHZTZLVKPOQFY-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N[C@H]1CCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386129366 367915701 /nfs/dbraw/zinc/91/57/01/367915701.db2.gz OHHNMWGJKIJTPJ-SRVKXCTJSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NCC1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000385984601 367892766 /nfs/dbraw/zinc/89/27/66/367892766.db2.gz DBWNCRRILBDTRG-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](NC[C@@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000386013675 367897285 /nfs/dbraw/zinc/89/72/85/367897285.db2.gz NDNOJVJOBZDDPZ-BFHYXJOUSA-N 1 3 222.376 2.463 20 0 BEADHO CCOCC(C)(C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386506000 367981989 /nfs/dbraw/zinc/98/19/89/367981989.db2.gz WMPTVIVGCDVPDG-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC23CCCC3)C1 ZINC000387115098 368051874 /nfs/dbraw/zinc/05/18/74/368051874.db2.gz JFPWYUNWYOSNPG-GRYCIOLGSA-N 1 3 208.349 2.179 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC23CCCC3)C1 ZINC000387115098 368051879 /nfs/dbraw/zinc/05/18/79/368051879.db2.gz JFPWYUNWYOSNPG-GRYCIOLGSA-N 1 3 208.349 2.179 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000387155267 368072032 /nfs/dbraw/zinc/07/20/32/368072032.db2.gz QAVXEBPTMQLYIX-SRVKXCTJSA-N 1 3 208.349 2.036 20 0 BEADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000623657107 368997189 /nfs/dbraw/zinc/99/71/89/368997189.db2.gz JWUZLTPSELDXBW-CHWSQXEVSA-N 1 3 242.432 2.061 20 0 BEADHO Cc1cc(C)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1 ZINC000631824193 368987203 /nfs/dbraw/zinc/98/72/03/368987203.db2.gz YJQASIAHMPZSQK-OCCSQVGLSA-N 1 3 247.386 2.176 20 0 BEADHO CCSCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404326649 369426775 /nfs/dbraw/zinc/42/67/75/369426775.db2.gz VXLGOTMACRLXLR-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404326649 369426777 /nfs/dbraw/zinc/42/67/77/369426777.db2.gz VXLGOTMACRLXLR-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404326649 369426778 /nfs/dbraw/zinc/42/67/78/369426778.db2.gz VXLGOTMACRLXLR-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795038 203373935 /nfs/dbraw/zinc/37/39/35/203373935.db2.gz XGVGBIPVMITCNQ-YIYPIFLZSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000165543197 203384825 /nfs/dbraw/zinc/38/48/25/203384825.db2.gz MKZKTHNKXUDWNL-DRZSPHRISA-N 1 3 210.365 2.247 20 0 BEADHO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000621377188 370318764 /nfs/dbraw/zinc/31/87/64/370318764.db2.gz RLPVRLHYEACPML-QJPTWQEYSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000621377188 370318769 /nfs/dbraw/zinc/31/87/69/370318769.db2.gz RLPVRLHYEACPML-QJPTWQEYSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)C[C@@H]1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000621377188 370318773 /nfs/dbraw/zinc/31/87/73/370318773.db2.gz RLPVRLHYEACPML-QJPTWQEYSA-N 1 3 244.329 2.248 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000568249013 326334834 /nfs/dbraw/zinc/33/48/34/326334834.db2.gz DTCFWNNMAMNELH-MGPQQGTHSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000310484321 370348317 /nfs/dbraw/zinc/34/83/17/370348317.db2.gz DOKFLBYXWIJWGP-OUCADQQQSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000310484321 370348319 /nfs/dbraw/zinc/34/83/19/370348319.db2.gz DOKFLBYXWIJWGP-OUCADQQQSA-N 1 3 236.359 2.188 20 0 BEADHO [NH3+][C@]12CCC[C@H]1CN(CCC1CCCC1)C2 ZINC000621781268 370530966 /nfs/dbraw/zinc/53/09/66/370530966.db2.gz BOANVBXGJBODHR-KBPBESRZSA-N 1 3 222.376 2.380 20 0 BEADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000621784341 370535554 /nfs/dbraw/zinc/53/55/54/370535554.db2.gz NMHIZCRZBGGINZ-KHMAMNHCSA-N 1 3 234.387 2.236 20 0 BEADHO C[C@@H](NCC(C)(C)C[NH+](C)C)[C@H]1CCCCO1 ZINC000623849201 371125147 /nfs/dbraw/zinc/12/51/47/371125147.db2.gz YWZXEZLSBUQCQM-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO COCCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120523 371321791 /nfs/dbraw/zinc/32/17/91/371321791.db2.gz BBUYNTLIEVKNJV-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CC[C@@H]([NH2+]CC(C)(C)F)CC1(C)C ZINC000631189967 372224729 /nfs/dbraw/zinc/22/47/29/372224729.db2.gz YLSZCVKBKQWAOU-SNVBAGLBSA-N 1 3 216.344 2.197 20 0 BEADHO C[N@@H+]1CC[C@H](NCC(C)(C)F)[C@H]2CCC[C@@H]21 ZINC000631665966 372489620 /nfs/dbraw/zinc/48/96/20/372489620.db2.gz ZWTNVFBMOAAQNR-WOPDTQHZSA-N 1 3 228.355 2.197 20 0 BEADHO C[N@H+]1CC[C@H](NCC(C)(C)F)[C@H]2CCC[C@@H]21 ZINC000631665966 372489622 /nfs/dbraw/zinc/48/96/22/372489622.db2.gz ZWTNVFBMOAAQNR-WOPDTQHZSA-N 1 3 228.355 2.197 20 0 BEADHO CN1CC[C@H]([NH2+]CC(C)(C)F)[C@H]2CCC[C@@H]21 ZINC000631665966 372489624 /nfs/dbraw/zinc/48/96/24/372489624.db2.gz ZWTNVFBMOAAQNR-WOPDTQHZSA-N 1 3 228.355 2.197 20 0 BEADHO N[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000631829876 372613500 /nfs/dbraw/zinc/61/35/00/372613500.db2.gz CLTHGTRRPQQNHL-SRVKXCTJSA-N 1 3 244.329 2.235 20 0 BEADHO N[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000631829876 372613506 /nfs/dbraw/zinc/61/35/06/372613506.db2.gz CLTHGTRRPQQNHL-SRVKXCTJSA-N 1 3 244.329 2.235 20 0 BEADHO Cc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c(C)s1 ZINC000631838398 372632512 /nfs/dbraw/zinc/63/25/12/372632512.db2.gz NPRBZFSBAVAZSQ-NOZJJQNGSA-N 1 3 238.400 2.392 20 0 BEADHO C[C@@H](c1cccc(F)c1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839372 372637050 /nfs/dbraw/zinc/63/70/50/372637050.db2.gz FPLXSOGBFIQVLW-NTZNESFSSA-N 1 3 236.334 2.413 20 0 BEADHO C[C@H](c1ccccc1)[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631843060 372641069 /nfs/dbraw/zinc/64/10/69/372641069.db2.gz IYTBBTLFGLFRGA-YRGRVCCFSA-N 1 3 218.344 2.274 20 0 BEADHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631843060 372641075 /nfs/dbraw/zinc/64/10/75/372641075.db2.gz IYTBBTLFGLFRGA-YRGRVCCFSA-N 1 3 218.344 2.274 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000631827000 372605566 /nfs/dbraw/zinc/60/55/66/372605566.db2.gz CCZNEMWSAILFQR-QWRGUYRKSA-N 1 3 246.345 2.400 20 0 BEADHO CC1(C)CC(C[NH2+][C@]23CCC[C@@H]2CNC3)C1 ZINC000631867265 372669593 /nfs/dbraw/zinc/66/95/93/372669593.db2.gz OGERGBSRHOFBRJ-OCCSQVGLSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CNC1 ZINC000424379862 206038111 /nfs/dbraw/zinc/03/81/11/206038111.db2.gz PJVYANFGTFWXTN-VHRBIJSZSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424377728 206038704 /nfs/dbraw/zinc/03/87/04/206038704.db2.gz RRMXLNXSCLWZLD-RAIGVLPGSA-N 1 3 222.332 2.070 20 0 BEADHO C[C@@H]1[C@@H]([NH2+]CCCN)C[C@@H]1c1ccccc1 ZINC000437759645 206070190 /nfs/dbraw/zinc/07/01/90/206070190.db2.gz DOAWTWQHKXQQMK-UBHSHLNASA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H]1[C@@H](NCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000437759645 206070194 /nfs/dbraw/zinc/07/01/94/206070194.db2.gz DOAWTWQHKXQQMK-UBHSHLNASA-N 1 3 218.344 2.117 20 0 BEADHO CCOCCC[N@H+](CCCN)CC1CCCC1 ZINC000352512042 170372530 /nfs/dbraw/zinc/37/25/30/170372530.db2.gz VIIWBWCGAYCDMI-UHFFFAOYSA-N 1 3 242.407 2.254 20 0 BEADHO CCOCCC[N@@H+](CCCN)CC1CCCC1 ZINC000352512042 170372533 /nfs/dbraw/zinc/37/25/33/170372533.db2.gz VIIWBWCGAYCDMI-UHFFFAOYSA-N 1 3 242.407 2.254 20 0 BEADHO CCCC[C@H](CC)[NH2+]CC1(O)CCN(C)CC1 ZINC000360253291 169000208 /nfs/dbraw/zinc/00/02/08/169000208.db2.gz RRBGWTUFDWMMPD-ZDUSSCGKSA-N 1 3 242.407 2.002 20 0 BEADHO c1cc(CN2CCCC3(CC[NH2+]CC3)C2)ccn1 ZINC000004238044 183340157 /nfs/dbraw/zinc/34/01/57/183340157.db2.gz XNBDFSLVADLPGJ-UHFFFAOYSA-N 1 3 245.370 2.047 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000340197242 169206195 /nfs/dbraw/zinc/20/61/95/169206195.db2.gz DRSAVNJZBYNLOT-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)COC(C)C)C1 ZINC000337339613 169206827 /nfs/dbraw/zinc/20/68/27/169206827.db2.gz OSUIRJSHLPWNBR-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)COC(C)C)C1 ZINC000337339613 169206829 /nfs/dbraw/zinc/20/68/29/169206829.db2.gz OSUIRJSHLPWNBR-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337339613 169206830 /nfs/dbraw/zinc/20/68/30/169206830.db2.gz OSUIRJSHLPWNBR-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000309976879 169208339 /nfs/dbraw/zinc/20/83/39/169208339.db2.gz UBJWWFHJAFZJFP-REWJHTLYSA-N 1 3 224.392 2.352 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2CC)C1 ZINC000336782971 169208697 /nfs/dbraw/zinc/20/86/97/169208697.db2.gz ZDIVGGNMCSDJIH-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cs1 ZINC000037408353 183352643 /nfs/dbraw/zinc/35/26/43/183352643.db2.gz ZSTOYRSCDSVWHW-LLVKDONJSA-N 1 3 236.384 2.322 20 0 BEADHO c1ccc(C2([NH2+]C3CCNCC3)CCC2)cc1 ZINC000335227545 183389262 /nfs/dbraw/zinc/38/92/62/183389262.db2.gz MJAPYEYPZDVRRS-UHFFFAOYSA-N 1 3 230.355 2.407 20 0 BEADHO CCC[C@@H](CC)[NH2+]C[C@@H](C)CN(C)C ZINC000336681172 169379106 /nfs/dbraw/zinc/37/91/06/169379106.db2.gz HIMKVSUGUHINFC-VXGBXAGGSA-N 1 3 200.370 2.352 20 0 BEADHO [NH3+]C1CCN(CCCC2CCCC2)CC1 ZINC000226417037 134365426 /nfs/dbraw/zinc/36/54/26/134365426.db2.gz NDOPTKCZSSVVNT-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1Cc1cccs1 ZINC000070534355 383934544 /nfs/dbraw/zinc/93/45/44/383934544.db2.gz IIZDIHPJDBSMKF-NSHDSACASA-N 1 3 224.373 2.451 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccnc1 ZINC000037649303 383990967 /nfs/dbraw/zinc/99/09/67/383990967.db2.gz VAFQSEQIYZGGOX-QWHCGFSZSA-N 1 3 245.370 2.217 20 0 BEADHO CCc1ccc(CNC2CC[NH+](C)CC2)s1 ZINC000037267400 383968550 /nfs/dbraw/zinc/96/85/50/383968550.db2.gz KUVAOEWDEKGTTN-UHFFFAOYSA-N 1 3 238.400 2.494 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547399 384033763 /nfs/dbraw/zinc/03/37/63/384033763.db2.gz DTWINHLYJVGBFH-TZMCWYRMSA-N 1 3 248.370 2.475 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643547399 384033765 /nfs/dbraw/zinc/03/37/65/384033765.db2.gz DTWINHLYJVGBFH-TZMCWYRMSA-N 1 3 248.370 2.475 20 0 BEADHO CC(C)(C)N1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000090994757 384089542 /nfs/dbraw/zinc/08/95/42/384089542.db2.gz HDYRAWSRVGKKKN-UHFFFAOYSA-N 1 3 235.375 2.367 20 0 BEADHO CCCCN1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000091008403 384092152 /nfs/dbraw/zinc/09/21/52/384092152.db2.gz CBLIHBYQAFVDHD-UHFFFAOYSA-N 1 3 249.402 2.379 20 0 BEADHO C[C@H]([NH2+]C1CCNCC1)c1cccs1 ZINC000038040743 384062446 /nfs/dbraw/zinc/06/24/46/384062446.db2.gz PEGRLPYBTMCTKY-VIFPVBQESA-N 1 3 210.346 2.151 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000449175470 384165870 /nfs/dbraw/zinc/16/58/70/384165870.db2.gz RBXVBSOXGIOJPA-XQHKEYJVSA-N 1 3 242.432 2.200 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000163243017 384188584 /nfs/dbraw/zinc/18/85/84/384188584.db2.gz IIJKKCIRIWDQBE-LRDDRELGSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000163242915 384188744 /nfs/dbraw/zinc/18/87/44/384188744.db2.gz IIJKKCIRIWDQBE-MLGOLLRUSA-N 1 3 244.382 2.344 20 0 BEADHO CC[C@H]1C[N@H+](CC2(OC)CCCC2)CC[C@H]1N ZINC000319456331 384250446 /nfs/dbraw/zinc/25/04/46/384250446.db2.gz OCXSXEAPRMUKQX-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@H]1N ZINC000319456331 384250454 /nfs/dbraw/zinc/25/04/54/384250454.db2.gz OCXSXEAPRMUKQX-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000082645617 384253581 /nfs/dbraw/zinc/25/35/81/384253581.db2.gz GXYFGUWHCPGMAY-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000082645617 384253588 /nfs/dbraw/zinc/25/35/88/384253588.db2.gz GXYFGUWHCPGMAY-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000082645631 384253876 /nfs/dbraw/zinc/25/38/76/384253876.db2.gz YACRAAHCUORGQV-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000082645631 384253881 /nfs/dbraw/zinc/25/38/81/384253881.db2.gz YACRAAHCUORGQV-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCSC2)c2ccccc21 ZINC000228555335 384277765 /nfs/dbraw/zinc/27/77/65/384277765.db2.gz HVTRAKQEGALVOG-GDLCADMTSA-N 1 3 248.395 2.474 20 0 BEADHO c1ccc2c(C[NH2+][C@@H]3CCCNC3)ccnc2c1 ZINC000569572321 384267256 /nfs/dbraw/zinc/26/72/56/384267256.db2.gz CXNIPMPJVZZYJI-CYBMUJFWSA-N 1 3 241.338 2.076 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000082847464 384271192 /nfs/dbraw/zinc/27/11/92/384271192.db2.gz QPHIHXAIXWEZPP-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000084047954 384357364 /nfs/dbraw/zinc/35/73/64/384357364.db2.gz ZORAWHLQAWTHSP-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000084047954 384357369 /nfs/dbraw/zinc/35/73/69/384357369.db2.gz ZORAWHLQAWTHSP-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000084047960 384358954 /nfs/dbraw/zinc/35/89/54/384358954.db2.gz ZORAWHLQAWTHSP-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000084047960 384358962 /nfs/dbraw/zinc/35/89/62/384358962.db2.gz ZORAWHLQAWTHSP-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCCN[C@@H]1C ZINC000335644277 384416374 /nfs/dbraw/zinc/41/63/74/384416374.db2.gz SQIYEUGDRZQFFE-TZMCWYRMSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H](NCCC[NH3+])c1ccc(Cl)cc1 ZINC000037713174 384509319 /nfs/dbraw/zinc/50/93/19/384509319.db2.gz JWZDYPDBWXQYIR-SECBINFHSA-N 1 3 212.724 2.339 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CCCCCF)C[C@H]1CN ZINC000397397270 384513136 /nfs/dbraw/zinc/51/31/36/384513136.db2.gz POKCESQEZLGYLH-FRRDWIJNSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CCCCCF)C[C@H]1CN ZINC000397397270 384513140 /nfs/dbraw/zinc/51/31/40/384513140.db2.gz POKCESQEZLGYLH-FRRDWIJNSA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@H](C)N(CCCCCF)C[C@H]1C[NH3+] ZINC000397397270 384513144 /nfs/dbraw/zinc/51/31/44/384513144.db2.gz POKCESQEZLGYLH-FRRDWIJNSA-N 1 3 230.371 2.431 20 0 BEADHO CN(CC[C@@H]1CCC[N@@H+]1C)CC1CCC1 ZINC000161798765 384527908 /nfs/dbraw/zinc/52/79/08/384527908.db2.gz GKRSXFCFEKUFKA-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CN(CC[C@@H]1CCC[N@H+]1C)CC1CCC1 ZINC000161798765 384527915 /nfs/dbraw/zinc/52/79/15/384527915.db2.gz GKRSXFCFEKUFKA-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1cccc(CCN[C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000423081065 384553175 /nfs/dbraw/zinc/55/31/75/384553175.db2.gz AZUGCOSXVPOMGW-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000559108839 384558889 /nfs/dbraw/zinc/55/88/89/384558889.db2.gz OQDQODDYLTXFAP-CQSZACIVSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000559108839 384558894 /nfs/dbraw/zinc/55/88/94/384558894.db2.gz OQDQODDYLTXFAP-CQSZACIVSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000559108839 384558899 /nfs/dbraw/zinc/55/88/99/384558899.db2.gz OQDQODDYLTXFAP-CQSZACIVSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000559108839 384558903 /nfs/dbraw/zinc/55/89/03/384558903.db2.gz OQDQODDYLTXFAP-CQSZACIVSA-N 1 3 236.403 2.450 20 0 BEADHO C[NH2+]C[C@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000306049647 384568832 /nfs/dbraw/zinc/56/88/32/384568832.db2.gz VVGLVEWRQQBXLB-NWDGAFQWSA-N 1 3 246.345 2.353 20 0 BEADHO CCC[NH+]1CCC(N(C)CCCF)CC1 ZINC000151364812 384569680 /nfs/dbraw/zinc/56/96/80/384569680.db2.gz JAIQGPQFXSTVFX-UHFFFAOYSA-N 1 3 216.344 2.152 20 0 BEADHO CC[C@](C)(C[NH2+]C[C@H]1CCN(C(C)C)C1)OC ZINC000319894249 384573356 /nfs/dbraw/zinc/57/33/56/384573356.db2.gz PJQSRSISNFXFPI-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@](C)(CNC[C@H]1CC[N@@H+](C(C)C)C1)OC ZINC000319894249 384573361 /nfs/dbraw/zinc/57/33/61/384573361.db2.gz PJQSRSISNFXFPI-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@](C)(CNC[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000319894249 384573365 /nfs/dbraw/zinc/57/33/65/384573365.db2.gz PJQSRSISNFXFPI-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300823412 384588227 /nfs/dbraw/zinc/58/82/27/384588227.db2.gz JAJRFKHZQPSEER-GFCCVEGCSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](CC[NH2+]C[C@@H]1C[C@H]1C)N1CCCCC1 ZINC000309757144 384588484 /nfs/dbraw/zinc/58/84/84/384588484.db2.gz LURZBBUMBMFANN-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CN1CC=C(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000335896482 384589366 /nfs/dbraw/zinc/58/93/66/384589366.db2.gz MCVXUOAQLCSZDM-UHFFFAOYSA-N 1 3 242.366 2.005 20 0 BEADHO CC(C)[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040621550 384590040 /nfs/dbraw/zinc/59/00/40/384590040.db2.gz AFXVSPFALRJPHW-CHWSQXEVSA-N 1 3 212.381 2.351 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)CN(C)C ZINC000336747382 384625804 /nfs/dbraw/zinc/62/58/04/384625804.db2.gz RYDYURLONHGEHM-SYQHCUMBSA-N 1 3 224.392 2.352 20 0 BEADHO c1ccc([C@H]2CC[N@@H+](C3CCNCC3)C2)cc1 ZINC000050599382 384636643 /nfs/dbraw/zinc/63/66/43/384636643.db2.gz DMIAJSIFTOLYMV-AWEZNQCLSA-N 1 3 230.355 2.228 20 0 BEADHO c1ccc([C@H]2CC[N@H+](C3CCNCC3)C2)cc1 ZINC000050599382 384636648 /nfs/dbraw/zinc/63/66/48/384636648.db2.gz DMIAJSIFTOLYMV-AWEZNQCLSA-N 1 3 230.355 2.228 20 0 BEADHO c1ccc([C@H]2CCN(C3CC[NH2+]CC3)C2)cc1 ZINC000050599382 384636653 /nfs/dbraw/zinc/63/66/53/384636653.db2.gz DMIAJSIFTOLYMV-AWEZNQCLSA-N 1 3 230.355 2.228 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000086402715 384646311 /nfs/dbraw/zinc/64/63/11/384646311.db2.gz SYLLCXMZRSQKQT-OLZOCXBDSA-N 1 3 210.365 2.426 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000086402712 384647302 /nfs/dbraw/zinc/64/73/02/384647302.db2.gz SYLLCXMZRSQKQT-CHWSQXEVSA-N 1 3 210.365 2.426 20 0 BEADHO CCCCOCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000160195662 384656114 /nfs/dbraw/zinc/65/61/14/384656114.db2.gz CKBMTGPZEUQJNU-KBPBESRZSA-N 1 3 242.407 2.300 20 0 BEADHO Cc1ccc(CN(C)CC(C)(C)C[NH3+])cc1 ZINC000051214073 384662001 /nfs/dbraw/zinc/66/20/01/384662001.db2.gz WPKPBIQSQQGZCI-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO Cc1ccc(C[N@@H+](C)CC(C)(C)CN)cc1 ZINC000051214073 384662006 /nfs/dbraw/zinc/66/20/06/384662006.db2.gz WPKPBIQSQQGZCI-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO Cc1ccc(C[N@H+](C)CC(C)(C)CN)cc1 ZINC000051214073 384662009 /nfs/dbraw/zinc/66/20/09/384662009.db2.gz WPKPBIQSQQGZCI-UHFFFAOYSA-N 1 3 220.360 2.412 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000556932308 384662625 /nfs/dbraw/zinc/66/26/25/384662625.db2.gz UKGSKITUKHDGPC-LBPRGKRZSA-N 1 3 240.297 2.451 20 0 BEADHO C[N@H+](CC(C)(C)c1ccccc1)C1CC(N)C1 ZINC000647544866 384723781 /nfs/dbraw/zinc/72/37/81/384723781.db2.gz VRXSEURFDHWWNU-UHFFFAOYSA-N 1 3 232.371 2.386 20 0 BEADHO C[N@@H+](CC(C)(C)c1ccccc1)C1CC(N)C1 ZINC000647544866 384723785 /nfs/dbraw/zinc/72/37/85/384723785.db2.gz VRXSEURFDHWWNU-UHFFFAOYSA-N 1 3 232.371 2.386 20 0 BEADHO FC1(F)CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258899518 384690045 /nfs/dbraw/zinc/69/00/45/384690045.db2.gz OEIYWBBQTQFPKW-LLVKDONJSA-N 1 3 232.318 2.107 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCCN[C@H]1C ZINC000335358496 384693516 /nfs/dbraw/zinc/69/35/16/384693516.db2.gz SQIYEUGDRZQFFE-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H](CCN(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000125627981 384737720 /nfs/dbraw/zinc/73/77/20/384737720.db2.gz VJOQNKADTYDXGW-JTQLQIEISA-N 1 3 242.313 2.395 20 0 BEADHO CO[C@H](C)CCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000336665799 384756744 /nfs/dbraw/zinc/75/67/44/384756744.db2.gz ZDDODYITPHTZJY-MCIONIFRSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@@]1(CN2CC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000647552015 384758978 /nfs/dbraw/zinc/75/89/78/384758978.db2.gz AHNDZPNZLLLZIB-UONOGXRCSA-N 1 3 222.376 2.108 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423357623 384833621 /nfs/dbraw/zinc/83/36/21/384833621.db2.gz MKSAMRZQZIUTGL-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000423360601 384835012 /nfs/dbraw/zinc/83/50/12/384835012.db2.gz FWOKTAAENASYJF-RFGFWPKPSA-N 1 3 222.376 2.425 20 0 BEADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423359620 384835892 /nfs/dbraw/zinc/83/58/92/384835892.db2.gz DNBMDZLTHMHZQA-XUXIUFHCSA-N 1 3 240.391 2.051 20 0 BEADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423359619 384836269 /nfs/dbraw/zinc/83/62/69/384836269.db2.gz DNBMDZLTHMHZQA-FQUUOJAGSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000398087839 384799336 /nfs/dbraw/zinc/79/93/36/384799336.db2.gz OIXUWNZVIAKZEC-WXHSDQCUSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCCNC1 ZINC000423332185 384802733 /nfs/dbraw/zinc/80/27/33/384802733.db2.gz HBTRLQJPUUISQR-IHRRRGAJSA-N 1 3 222.376 2.154 20 0 BEADHO CO[C@@H]1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000234804809 384857651 /nfs/dbraw/zinc/85/76/51/384857651.db2.gz NOAVOPBXPCMETB-RBDSIQFVSA-N 1 3 246.354 2.288 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000258956169 384957080 /nfs/dbraw/zinc/95/70/80/384957080.db2.gz KTCDBUYOWJEIHJ-UONOGXRCSA-N 1 3 218.344 2.007 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000423447062 384901249 /nfs/dbraw/zinc/90/12/49/384901249.db2.gz OSPSHXWFVPPGJI-MWODSPESSA-N 1 3 222.307 2.138 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000258762656 384942553 /nfs/dbraw/zinc/94/25/53/384942553.db2.gz APVWJUVHYOFJAC-ZIAGYGMSSA-N 1 3 232.371 2.434 20 0 BEADHO CC[C@@H](C)C[NH2+]CCCN(C)C(C)C ZINC000128857193 384964909 /nfs/dbraw/zinc/96/49/09/384964909.db2.gz HCDKFSKVKCSXCM-GFCCVEGCSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@H](Cc1ccsc1)NC[C@@H]1CCC[NH2+]C1 ZINC000087646881 384984194 /nfs/dbraw/zinc/98/41/94/384984194.db2.gz NATMZGHGHRGXAB-DGCLKSJQSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+]C[C@@H]1CCCNC1 ZINC000087646881 384984200 /nfs/dbraw/zinc/98/42/00/384984200.db2.gz NATMZGHGHRGXAB-DGCLKSJQSA-N 1 3 238.400 2.268 20 0 BEADHO CN(C[C@H]1CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000226436971 385022228 /nfs/dbraw/zinc/02/22/28/385022228.db2.gz VMKRNJATFJZCIC-ZDUSSCGKSA-N 1 3 244.382 2.085 20 0 BEADHO C[N@H+](C[C@H]1CCCNC1)C1Cc2ccccc2C1 ZINC000226436971 385022235 /nfs/dbraw/zinc/02/22/35/385022235.db2.gz VMKRNJATFJZCIC-ZDUSSCGKSA-N 1 3 244.382 2.085 20 0 BEADHO C[N@@H+](C[C@H]1CCCNC1)C1Cc2ccccc2C1 ZINC000226436971 385022243 /nfs/dbraw/zinc/02/22/43/385022243.db2.gz VMKRNJATFJZCIC-ZDUSSCGKSA-N 1 3 244.382 2.085 20 0 BEADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCOc1ccccc1 ZINC000404784580 385064355 /nfs/dbraw/zinc/06/43/55/385064355.db2.gz PAFIFGKAVUOHQS-KBPBESRZSA-N 1 3 248.370 2.171 20 0 BEADHO CC1(C)[C@H](NCCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000404784586 385064847 /nfs/dbraw/zinc/06/48/47/385064847.db2.gz PAFIFGKAVUOHQS-UONOGXRCSA-N 1 3 248.370 2.171 20 0 BEADHO CC[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000226993528 385077361 /nfs/dbraw/zinc/07/73/61/385077361.db2.gz VCLMMGRARILWOS-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000227057253 385086389 /nfs/dbraw/zinc/08/63/89/385086389.db2.gz NLMVPNGWBMQFEC-VNHYZAJKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000227057253 385086394 /nfs/dbraw/zinc/08/63/94/385086394.db2.gz NLMVPNGWBMQFEC-VNHYZAJKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](N)[C@@H](C)C1)c1ccccc1 ZINC000227057253 385086398 /nfs/dbraw/zinc/08/63/98/385086398.db2.gz NLMVPNGWBMQFEC-VNHYZAJKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479294 385152749 /nfs/dbraw/zinc/15/27/49/385152749.db2.gz AVRCXUDKDQWCCJ-AAVRWANBSA-N 1 3 222.376 2.106 20 0 BEADHO C1CC12C[C@H]2N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424372903 385155435 /nfs/dbraw/zinc/15/54/35/385155435.db2.gz ITYISLYWBVHBDA-RFQIPJPRSA-N 1 3 234.387 2.439 20 0 BEADHO CC1(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000647479735 385157659 /nfs/dbraw/zinc/15/76/59/385157659.db2.gz RLARNLZFIJOVHU-STQMWFEESA-N 1 3 222.376 2.251 20 0 BEADHO CC1(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000647479734 385159352 /nfs/dbraw/zinc/15/93/52/385159352.db2.gz RLARNLZFIJOVHU-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccco1 ZINC000308808935 385177769 /nfs/dbraw/zinc/17/77/69/385177769.db2.gz GQDMJWFQDXDXSE-MNOVXSKESA-N 1 3 210.321 2.448 20 0 BEADHO C[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1CN ZINC000164652320 385223070 /nfs/dbraw/zinc/22/30/70/385223070.db2.gz HTQOJEGDNHYITG-AAEUAGOBSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1CN ZINC000164652320 385223072 /nfs/dbraw/zinc/22/30/72/385223072.db2.gz HTQOJEGDNHYITG-AAEUAGOBSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)CCC1CC1)CN(C)C ZINC000308882094 385235536 /nfs/dbraw/zinc/23/55/36/385235536.db2.gz URAMVUVWISKIBV-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](CCC[NH3+])NCc1ccccc1F ZINC000308892989 385248084 /nfs/dbraw/zinc/24/80/84/385248084.db2.gz YNEOZPWJASLEJI-SNVBAGLBSA-N 1 3 210.296 2.043 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000346663859 385254948 /nfs/dbraw/zinc/25/49/48/385254948.db2.gz XDRUCEFOGTUPED-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2C)C1 ZINC000346663859 385254954 /nfs/dbraw/zinc/25/49/54/385254954.db2.gz XDRUCEFOGTUPED-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](C[NH2+]C1CCCCCC1)CN(C)C ZINC000308932594 385303359 /nfs/dbraw/zinc/30/33/59/385303359.db2.gz RRYARIARLAIGAJ-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1ccco1 ZINC000045663406 385272704 /nfs/dbraw/zinc/27/27/04/385272704.db2.gz VGJWAJJHTIAOON-LLVKDONJSA-N 1 3 210.321 2.272 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2ccc3cnccc3c2)C1 ZINC000647490380 385282859 /nfs/dbraw/zinc/28/28/59/385282859.db2.gz STQAPCZSKNGZLR-ZDUSSCGKSA-N 1 3 241.338 2.015 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)[C@@H]1C ZINC000308975994 385330273 /nfs/dbraw/zinc/33/02/73/385330273.db2.gz ILICCWGQNOLDCX-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)[C@H]1C ZINC000308975991 385330555 /nfs/dbraw/zinc/33/05/55/385330555.db2.gz ILICCWGQNOLDCX-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO CCSCC[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000309061028 385397181 /nfs/dbraw/zinc/39/71/81/385397181.db2.gz WPPWAWBUMMQVFN-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CCSCCN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000309061028 385397184 /nfs/dbraw/zinc/39/71/84/385397184.db2.gz WPPWAWBUMMQVFN-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CC[NH+](CC)CCCNCC1(OC)CCCC1 ZINC000319539629 385439341 /nfs/dbraw/zinc/43/93/41/385439341.db2.gz BEYXAPCMFRWNIP-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO CCN(CC)CCC[NH2+]CC1(OC)CCCC1 ZINC000319539629 385439343 /nfs/dbraw/zinc/43/93/43/385439343.db2.gz BEYXAPCMFRWNIP-UHFFFAOYSA-N 1 3 242.407 2.267 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2ccccc21 ZINC000309338318 385538378 /nfs/dbraw/zinc/53/83/78/385538378.db2.gz KOJPZVQLOAFOAC-FZMZJTMJSA-N 1 3 218.344 2.248 20 0 BEADHO Cc1c[nH+]ccc1N[C@H]1CCCN(C)[C@H]1C ZINC000309375697 385555818 /nfs/dbraw/zinc/55/58/18/385555818.db2.gz COWGXTJESPAESA-AAEUAGOBSA-N 1 3 219.332 2.285 20 0 BEADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1nccs1 ZINC000309422739 385577665 /nfs/dbraw/zinc/57/76/65/385577665.db2.gz BFKKOIFVBZPAIX-MNOVXSKESA-N 1 3 239.388 2.326 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309453281 385585090 /nfs/dbraw/zinc/58/50/90/385585090.db2.gz LRSCGKMXJPJZFR-BFHYXJOUSA-N 1 3 222.376 2.415 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309453281 385585091 /nfs/dbraw/zinc/58/50/91/385585091.db2.gz LRSCGKMXJPJZFR-BFHYXJOUSA-N 1 3 222.376 2.415 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccccc1C ZINC000414848361 385615628 /nfs/dbraw/zinc/61/56/28/385615628.db2.gz WUSYOGZZOSGAHC-TZMCWYRMSA-N 1 3 234.387 2.371 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000414848361 385615631 /nfs/dbraw/zinc/61/56/31/385615631.db2.gz WUSYOGZZOSGAHC-TZMCWYRMSA-N 1 3 234.387 2.371 20 0 BEADHO C[NH2+]C[C@@H](C)CNC[C@H](C)c1ccc(F)cc1 ZINC000414848795 385620024 /nfs/dbraw/zinc/62/00/24/385620024.db2.gz XJSPDPKOJCANAQ-NEPJUHHUSA-N 1 3 238.350 2.374 20 0 BEADHO CNC[C@@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414848795 385620030 /nfs/dbraw/zinc/62/00/30/385620030.db2.gz XJSPDPKOJCANAQ-NEPJUHHUSA-N 1 3 238.350 2.374 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CCC(C)C ZINC000414849305 385625519 /nfs/dbraw/zinc/62/55/19/385625519.db2.gz XYWVNZCDJZGWSU-RYUDHWBXSA-N 1 3 200.370 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000414849766 385630664 /nfs/dbraw/zinc/63/06/64/385630664.db2.gz YNPNLMCOVZJLQZ-QNWHQSFQSA-N 1 3 212.381 2.256 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336677602 385608740 /nfs/dbraw/zinc/60/87/40/385608740.db2.gz HYUQVQFHFTULJT-RWMBFGLXSA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@H](C)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000414850973 385646777 /nfs/dbraw/zinc/64/67/77/385646777.db2.gz ZWPSPBILWPUERV-UTUOFQBUSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000414850971 385647322 /nfs/dbraw/zinc/64/73/22/385647322.db2.gz ZWPSPBILWPUERV-SRVKXCTJSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1cscc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000309515052 385654523 /nfs/dbraw/zinc/65/45/23/385654523.db2.gz YJBNZZNXAOZQOG-MFKMUULPSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1cscc1CN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000309515052 385654527 /nfs/dbraw/zinc/65/45/27/385654527.db2.gz YJBNZZNXAOZQOG-MFKMUULPSA-N 1 3 238.400 2.486 20 0 BEADHO CCSCC[C@H](C)N(C)CCC[NH2+]C ZINC000336735825 385717121 /nfs/dbraw/zinc/71/71/21/385717121.db2.gz OOEVRDCZOCDZAT-NSHDSACASA-N 1 3 218.410 2.059 20 0 BEADHO CCSCC[C@H](C)[N@H+](C)CCCNC ZINC000336735825 385717127 /nfs/dbraw/zinc/71/71/27/385717127.db2.gz OOEVRDCZOCDZAT-NSHDSACASA-N 1 3 218.410 2.059 20 0 BEADHO CCSCC[C@H](C)[N@@H+](C)CCCNC ZINC000336735825 385717131 /nfs/dbraw/zinc/71/71/31/385717131.db2.gz OOEVRDCZOCDZAT-NSHDSACASA-N 1 3 218.410 2.059 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414853145 385683997 /nfs/dbraw/zinc/68/39/97/385683997.db2.gz RXVJPFZELPHMKS-QEJZJMRPSA-N 1 3 232.371 2.235 20 0 BEADHO C[NH2+]C[C@H](C)CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414853145 385684002 /nfs/dbraw/zinc/68/40/02/385684002.db2.gz RXVJPFZELPHMKS-QEJZJMRPSA-N 1 3 232.371 2.235 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC1(C)C ZINC000309568677 385704892 /nfs/dbraw/zinc/70/48/92/385704892.db2.gz MZZWRWWWEZDYFM-YPMHNXCESA-N 1 3 222.376 2.273 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC1(C)C ZINC000309568674 385704928 /nfs/dbraw/zinc/70/49/28/385704928.db2.gz MZZWRWWWEZDYFM-AAEUAGOBSA-N 1 3 222.376 2.273 20 0 BEADHO C[NH2+]CCCNCC[C@@H](C)c1ccccc1 ZINC000414857559 385730708 /nfs/dbraw/zinc/73/07/08/385730708.db2.gz DZAWXANVBWDUPX-CYBMUJFWSA-N 1 3 220.360 2.379 20 0 BEADHO CNCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000414857559 385730711 /nfs/dbraw/zinc/73/07/11/385730711.db2.gz DZAWXANVBWDUPX-CYBMUJFWSA-N 1 3 220.360 2.379 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000336692386 385733217 /nfs/dbraw/zinc/73/32/17/385733217.db2.gz QGLJMBBBVGDNBD-NWDGAFQWSA-N 1 3 200.370 2.386 20 0 BEADHO CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185709254 385736252 /nfs/dbraw/zinc/73/62/52/385736252.db2.gz AGFMLAUXFKWXCB-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+]CCCNC)C1 ZINC000414859803 385739075 /nfs/dbraw/zinc/73/90/75/385739075.db2.gz NXECSKXEWXHLQI-OLZOCXBDSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1CCCNC1 ZINC000414863094 385755538 /nfs/dbraw/zinc/75/55/38/385755538.db2.gz XXWUISQREWNBOT-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CNCCC[NH2+]CCCCOc1ccccc1 ZINC000414864083 385767368 /nfs/dbraw/zinc/76/73/68/385767368.db2.gz YUUWDLOFCQOVAG-UHFFFAOYSA-N 1 3 236.359 2.045 20 0 BEADHO F[C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000647799635 385800332 /nfs/dbraw/zinc/80/03/32/385800332.db2.gz NHLLTWVJQJOADL-PNKOWGENSA-N 1 3 226.339 2.140 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000414867661 385810162 /nfs/dbraw/zinc/81/01/62/385810162.db2.gz GVNXBNQYBSBIRC-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[NH2+]CCNC[C@H]1CCCC[C@@H]1C ZINC000414868193 385814451 /nfs/dbraw/zinc/81/44/51/385814451.db2.gz JPZJPBUPOPFFFN-QWHCGFSZSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@H](CN)C[NH2+]CCCCOc1ccccc1 ZINC000414871640 385857337 /nfs/dbraw/zinc/85/73/37/385857337.db2.gz DRVZLYQJOVNNCP-CYBMUJFWSA-N 1 3 236.359 2.030 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC000412980646 385818574 /nfs/dbraw/zinc/81/85/74/385818574.db2.gz YGWANZQDIVXTOH-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC000412980646 385818580 /nfs/dbraw/zinc/81/85/80/385818580.db2.gz YGWANZQDIVXTOH-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC[C@H](C[N@H+](C)CC[C@@H]1CCCCN1C)OC ZINC000412977222 385823293 /nfs/dbraw/zinc/82/32/93/385823293.db2.gz LBLIFVUXXYPOTP-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@H](C[N@@H+](C)CC[C@@H]1CCCCN1C)OC ZINC000412977222 385823295 /nfs/dbraw/zinc/82/32/95/385823295.db2.gz LBLIFVUXXYPOTP-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO Cc1cc(Cl)ccc1CNC[C@H](C)C[NH3+] ZINC000414871630 385857855 /nfs/dbraw/zinc/85/78/55/385857855.db2.gz DQUBJKREFAFGFN-SECBINFHSA-N 1 3 226.751 2.333 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804636 385838643 /nfs/dbraw/zinc/83/86/43/385838643.db2.gz WHYGTOXMOPHGRS-ABXWRUBCSA-N 1 3 242.382 2.492 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647804798 385838942 /nfs/dbraw/zinc/83/89/42/385838942.db2.gz ZNWYDMPJDZWSRL-HTOAHKCRSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647804259 385840326 /nfs/dbraw/zinc/84/03/26/385840326.db2.gz MWCVXOWILPGAQL-QYNFOATHSA-N 1 3 216.344 2.230 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H](C)[C@H]1C ZINC000414871023 385855708 /nfs/dbraw/zinc/85/57/08/385855708.db2.gz NIWACVXKPLQDDL-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO NC1(C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC000414876402 385907247 /nfs/dbraw/zinc/90/72/47/385907247.db2.gz DIEIBRLKNKTBQJ-XBXARRHUSA-N 1 3 216.328 2.171 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H]1CCCC[C@@H]1C ZINC000414965882 385914207 /nfs/dbraw/zinc/91/42/07/385914207.db2.gz WCGHEKWELNWDMR-XQQFMLRXSA-N 1 3 212.381 2.400 20 0 BEADHO FCCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647815146 385868783 /nfs/dbraw/zinc/86/87/83/385868783.db2.gz QZMCFZKIBGPLGD-UHFFFAOYSA-N 1 3 228.355 2.343 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+]C[C@H](C)CN)C1 ZINC000414873725 385880450 /nfs/dbraw/zinc/88/04/50/385880450.db2.gz HTKFKYYDKJPQOU-UPJWGTAASA-N 1 3 212.381 2.387 20 0 BEADHO FC(F)(F)C1CC([NH2+][C@@H]2CCCNCC2)C1 ZINC000335017807 385975971 /nfs/dbraw/zinc/97/59/71/385975971.db2.gz NOPFHNYPLLWHIR-HWOCKDDLSA-N 1 3 236.281 2.059 20 0 BEADHO C([NH2+][C@H]1CCCC12CCC2)[C@@H]1CCCNC1 ZINC000335018793 385977570 /nfs/dbraw/zinc/97/75/70/385977570.db2.gz LAAFMFHCNPDONI-OLZOCXBDSA-N 1 3 222.376 2.298 20 0 BEADHO CCSCC[C@H](C)[N@H+](C)CC(C)(C)N ZINC000336748256 385984120 /nfs/dbraw/zinc/98/41/20/385984120.db2.gz DBSNJROSYCTFSE-JTQLQIEISA-N 1 3 218.410 2.187 20 0 BEADHO CCSCC[C@H](C)[N@@H+](C)CC(C)(C)N ZINC000336748256 385984123 /nfs/dbraw/zinc/98/41/23/385984123.db2.gz DBSNJROSYCTFSE-JTQLQIEISA-N 1 3 218.410 2.187 20 0 BEADHO C[C@@H](CNC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000414881362 385992030 /nfs/dbraw/zinc/99/20/30/385992030.db2.gz AHNVKGFZHBMUBF-IUODEOHRSA-N 1 3 232.371 2.192 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@@H]1NC1Cc2ccccc2C1 ZINC000335040045 385930610 /nfs/dbraw/zinc/93/06/10/385930610.db2.gz OCCJYDYSFUIFSA-CVEARBPZSA-N 1 3 244.382 2.403 20 0 BEADHO Cc1ccc(C)c(OCC[NH2+]CC2(N)CCC2)c1 ZINC000342122404 385931463 /nfs/dbraw/zinc/93/14/63/385931463.db2.gz BUPHTHZDRBUMPV-UHFFFAOYSA-N 1 3 248.370 2.153 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000335041362 385932947 /nfs/dbraw/zinc/93/29/47/385932947.db2.gz PWPFXVMRJWBKHU-NEPJUHHUSA-N 1 3 224.735 2.309 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251104099 385935520 /nfs/dbraw/zinc/93/55/20/385935520.db2.gz AWTLYUULITXOEX-LOWDOPEQSA-N 1 3 222.376 2.295 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)N)CC2 ZINC000335043101 385935844 /nfs/dbraw/zinc/93/58/44/385935844.db2.gz NDAWMVLTGAODMP-CYBMUJFWSA-N 1 3 218.344 2.309 20 0 BEADHO [NH3+]C1(CNC[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000414878704 385941189 /nfs/dbraw/zinc/94/11/89/385941189.db2.gz ORFLIEXCKHZENY-KBPBESRZSA-N 1 3 230.355 2.261 20 0 BEADHO C[C@H](C[NH2+]Cc1cccc2[nH]ccc21)CN(C)C ZINC000291744019 385945086 /nfs/dbraw/zinc/94/50/86/385945086.db2.gz PHTKQOVQEUPLDV-GFCCVEGCSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@H](CNCc1cccc2[nH]ccc21)C[NH+](C)C ZINC000291744019 385945089 /nfs/dbraw/zinc/94/50/89/385945089.db2.gz PHTKQOVQEUPLDV-GFCCVEGCSA-N 1 3 245.370 2.455 20 0 BEADHO CC(C)C1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC000414879958 385961504 /nfs/dbraw/zinc/96/15/04/385961504.db2.gz QAYRXQGCLHVHQT-HIFPTAJRSA-N 1 3 212.381 2.386 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@@H]1CC1(C)C ZINC000338361587 385970085 /nfs/dbraw/zinc/97/00/85/385970085.db2.gz COQWTPLMAKPDOV-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CC1(C)C ZINC000338361587 385970093 /nfs/dbraw/zinc/97/00/93/385970093.db2.gz COQWTPLMAKPDOV-GFCCVEGCSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000335015541 385970869 /nfs/dbraw/zinc/97/08/69/385970869.db2.gz ZDMBAUQENDMVDX-QZQSVVMZSA-N 1 3 210.365 2.281 20 0 BEADHO NC1(C[NH2+]C/C=C/c2ccc(F)cc2)CCC1 ZINC000414881695 385997901 /nfs/dbraw/zinc/99/79/01/385997901.db2.gz SOSVAGNPHNIWHJ-HNQUOIGGSA-N 1 3 234.318 2.310 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1C[C@H]1C ZINC000414117313 386012220 /nfs/dbraw/zinc/01/22/20/386012220.db2.gz RVJGGNGKOPQGSN-ITGHMWBKSA-N 1 3 224.392 2.493 20 0 BEADHO C[C@H](CCc1ccsc1)[NH2+]CCCN ZINC000336751968 386012657 /nfs/dbraw/zinc/01/26/57/386012657.db2.gz GTTKYJOCICZSBW-SNVBAGLBSA-N 1 3 212.362 2.008 20 0 BEADHO C[C@H](CCc1ccsc1)NCCC[NH3+] ZINC000336751968 386012662 /nfs/dbraw/zinc/01/26/62/386012662.db2.gz GTTKYJOCICZSBW-SNVBAGLBSA-N 1 3 212.362 2.008 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C/c1ccccc1OC ZINC000414976294 386015463 /nfs/dbraw/zinc/01/54/63/386015463.db2.gz HXAYDWSJXPTKOR-STMXVASLSA-N 1 3 234.343 2.035 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C\c1ccccc1OC ZINC000414976292 386015894 /nfs/dbraw/zinc/01/58/94/386015894.db2.gz HXAYDWSJXPTKOR-FWPCIQOSSA-N 1 3 234.343 2.035 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)NC[C@@H]([NH3+])C1CC1 ZINC000414882587 386018275 /nfs/dbraw/zinc/01/82/75/386018275.db2.gz BYFXOBCWTBOLKS-IINYFYTJSA-N 1 3 236.334 2.084 20 0 BEADHO CC(C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000335070481 386018751 /nfs/dbraw/zinc/01/87/51/386018751.db2.gz PTFJOGFIYYQRBO-UHFFFAOYSA-N 1 3 222.376 2.138 20 0 BEADHO CC(C)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335070481 386018754 /nfs/dbraw/zinc/01/87/54/386018754.db2.gz PTFJOGFIYYQRBO-UHFFFAOYSA-N 1 3 222.376 2.138 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cc(C)ccc1C ZINC000414975669 386020195 /nfs/dbraw/zinc/02/01/95/386020195.db2.gz GQMKOKDBGDILDL-CYBMUJFWSA-N 1 3 206.333 2.130 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cc(C)ccc1C ZINC000414975670 386021426 /nfs/dbraw/zinc/02/14/26/386021426.db2.gz GQMKOKDBGDILDL-ZDUSSCGKSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](C)CN ZINC000414882850 386022435 /nfs/dbraw/zinc/02/24/35/386022435.db2.gz USHJEUBZBAZQNW-KGLIPLIRSA-N 1 3 234.387 2.440 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc(C2CC2)cc1 ZINC000414882867 386023272 /nfs/dbraw/zinc/02/32/72/386023272.db2.gz UUIHFKJRMUKZGG-NSHDSACASA-N 1 3 218.344 2.248 20 0 BEADHO C[C@@H](CN)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000414882849 386023310 /nfs/dbraw/zinc/02/33/10/386023310.db2.gz USHJEUBZBAZQNW-KBPBESRZSA-N 1 3 234.387 2.440 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414882854 386023361 /nfs/dbraw/zinc/02/33/61/386023361.db2.gz USHJEUBZBAZQNW-ZIAGYGMSSA-N 1 3 234.387 2.440 20 0 BEADHO C1CCC2(C1)CCC[C@H]2[NH2+][C@@H]1CCNC1 ZINC000335062132 386030350 /nfs/dbraw/zinc/03/03/50/386030350.db2.gz XISGHRJVTVXBQU-VXGBXAGGSA-N 1 3 208.349 2.051 20 0 BEADHO CC(C)Oc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000414883494 386031536 /nfs/dbraw/zinc/03/15/36/386031536.db2.gz VDRIVLNBNSPYRC-GFCCVEGCSA-N 1 3 236.359 2.158 20 0 BEADHO C[C@H](CCc1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000414883825 386035013 /nfs/dbraw/zinc/03/50/13/386035013.db2.gz DQDWMGNMBRUZMM-IUODEOHRSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@@H](CNCC1([NH3+])CCC1)c1ccc(F)cc1 ZINC000414884616 386041646 /nfs/dbraw/zinc/04/16/46/386041646.db2.gz VYPXWAGTOGTJEU-NSHDSACASA-N 1 3 236.334 2.400 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000309520706 386050321 /nfs/dbraw/zinc/05/03/21/386050321.db2.gz UBCXZFNSVIPCGJ-MYXTYHMWSA-N 1 3 222.376 2.425 20 0 BEADHO CCc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414889959 386118692 /nfs/dbraw/zinc/11/86/92/386118692.db2.gz GVPOCCWZUBOCKM-CQSZACIVSA-N 1 3 218.344 2.076 20 0 BEADHO C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000414653877 386072409 /nfs/dbraw/zinc/07/24/09/386072409.db2.gz FIAUZWUGQSRHIK-OEAJRASXSA-N 1 3 244.382 2.459 20 0 BEADHO CSCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365402737 386078146 /nfs/dbraw/zinc/07/81/46/386078146.db2.gz KDKJBTJWBCCQHQ-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CSCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365402737 386078148 /nfs/dbraw/zinc/07/81/48/386078148.db2.gz KDKJBTJWBCCQHQ-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CSCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365402737 386078151 /nfs/dbraw/zinc/07/81/51/386078151.db2.gz KDKJBTJWBCCQHQ-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO COc1ccccc1/C=C/C[NH2+]C[C@@H](N)C1CC1 ZINC000414886605 386081124 /nfs/dbraw/zinc/08/11/24/386081124.db2.gz CQQICJVKAZVDDF-YVARQFDVSA-N 1 3 246.354 2.035 20 0 BEADHO COc1ccccc1/C=C\C[NH2+]C[C@H](N)C1CC1 ZINC000414886602 386081269 /nfs/dbraw/zinc/08/12/69/386081269.db2.gz CQQICJVKAZVDDF-SDQPKGBYSA-N 1 3 246.354 2.035 20 0 BEADHO NC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659438 386088064 /nfs/dbraw/zinc/08/80/64/386088064.db2.gz SLNZADHNUGWEPX-QEJZJMRPSA-N 1 3 230.355 2.071 20 0 BEADHO NC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659438 386088067 /nfs/dbraw/zinc/08/80/67/386088067.db2.gz SLNZADHNUGWEPX-QEJZJMRPSA-N 1 3 230.355 2.071 20 0 BEADHO Cc1nc2ccc(CN[C@H](C)CC[NH3+])cc2s1 ZINC000414887265 386088970 /nfs/dbraw/zinc/08/89/70/386088970.db2.gz DFOPLEOQAPZIEB-SECBINFHSA-N 1 3 249.383 2.432 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](C)CN ZINC000414887747 386094694 /nfs/dbraw/zinc/09/46/94/386094694.db2.gz ZJPKECVKKXZPOP-WDEREUQCSA-N 1 3 240.778 2.455 20 0 BEADHO c1ccc(C[C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647876842 386144970 /nfs/dbraw/zinc/14/49/70/386144970.db2.gz BCUXBKUZSJYEHB-CVEARBPZSA-N 1 3 244.382 2.161 20 0 BEADHO COc1ccc([C@@H]2CCCN2CCC[NH3+])cc1 ZINC000414676023 386149160 /nfs/dbraw/zinc/14/91/60/386149160.db2.gz UQKJKCWNJZNAKW-AWEZNQCLSA-N 1 3 234.343 2.181 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1 ZINC000414994092 386164659 /nfs/dbraw/zinc/16/46/59/386164659.db2.gz UFFILWIGJPRQQJ-MFKMUULPSA-N 1 3 224.323 2.084 20 0 BEADHO COC1(CN(C)CC[C@H]([NH3+])C(C)C)CCCC1 ZINC000319817727 386168656 /nfs/dbraw/zinc/16/86/56/386168656.db2.gz HYDWTRNFXUBTCX-ZDUSSCGKSA-N 1 3 242.407 2.251 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](CC)Cc1ccccc1 ZINC000414995774 386178858 /nfs/dbraw/zinc/17/88/58/386178858.db2.gz WSGKXSGXMCRONP-KBPBESRZSA-N 1 3 220.360 2.335 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000414895013 386179344 /nfs/dbraw/zinc/17/93/44/386179344.db2.gz VBJWFGSKNJLEQP-LSDHHAIUSA-N 1 3 232.371 2.335 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)CCc1cccc(F)c1 ZINC000414995884 386179547 /nfs/dbraw/zinc/17/95/47/386179547.db2.gz WTTSEMXIDZKLSC-RISCZKNCSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@H](Cc1ccccc1)NC[C@@H]([NH3+])C1CC1 ZINC000414895012 386180215 /nfs/dbraw/zinc/18/02/15/386180215.db2.gz VBJWFGSKNJLEQP-HUUCEWRRSA-N 1 3 232.371 2.335 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1C ZINC000414996329 386181959 /nfs/dbraw/zinc/18/19/59/386181959.db2.gz XNDGJVZJCJDJHN-JSGCOSHPSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344291 386136168 /nfs/dbraw/zinc/13/61/68/386136168.db2.gz ROZOWDLSTJMVRP-QNWHQSFQSA-N 1 3 234.343 2.065 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000414344291 386136171 /nfs/dbraw/zinc/13/61/71/386136171.db2.gz ROZOWDLSTJMVRP-QNWHQSFQSA-N 1 3 234.343 2.065 20 0 BEADHO c1ccc([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874483 386140014 /nfs/dbraw/zinc/14/00/14/386140014.db2.gz ZSRCRDFIXHAXEU-UKRRQHHQSA-N 1 3 230.355 2.433 20 0 BEADHO c1csc([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647872814 386141463 /nfs/dbraw/zinc/14/14/63/386141463.db2.gz WXSJDKSHDPPKIF-VXGBXAGGSA-N 1 3 236.384 2.495 20 0 BEADHO c1ccc(C[C@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874685 386142315 /nfs/dbraw/zinc/14/23/15/386142315.db2.gz MQURZDAIBZDRQO-HZPDHXFCSA-N 1 3 244.382 2.303 20 0 BEADHO Cc1cc(C)c(C[NH2+]C[C@@H](N)C2CC2)c(C)c1 ZINC000414896724 386207376 /nfs/dbraw/zinc/20/73/76/386207376.db2.gz PTDILRGYAGRUTE-OAHLLOKOSA-N 1 3 232.371 2.439 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000131485062 386210418 /nfs/dbraw/zinc/21/04/18/386210418.db2.gz UFOCGSBCMHGCOX-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](CN)C[C@@H]2C)c1 ZINC000131485062 386210420 /nfs/dbraw/zinc/21/04/20/386210420.db2.gz UFOCGSBCMHGCOX-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)c1 ZINC000131485062 386210425 /nfs/dbraw/zinc/21/04/25/386210425.db2.gz UFOCGSBCMHGCOX-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN)C1(CC)CC ZINC000414704073 386216226 /nfs/dbraw/zinc/21/62/26/386216226.db2.gz JEXHXUNDIIFAGS-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN)C1(CC)CC ZINC000414704073 386216228 /nfs/dbraw/zinc/21/62/28/386216228.db2.gz JEXHXUNDIIFAGS-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN)C1(CC)CC ZINC000414704075 386217399 /nfs/dbraw/zinc/21/73/99/386217399.db2.gz JEXHXUNDIIFAGS-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN)C1(CC)CC ZINC000414704075 386217402 /nfs/dbraw/zinc/21/74/02/386217402.db2.gz JEXHXUNDIIFAGS-QWHCGFSZSA-N 1 3 242.407 2.251 20 0 BEADHO Oc1ccc([C@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647882070 386218182 /nfs/dbraw/zinc/21/81/82/386218182.db2.gz HZYHKDVUJAMRDZ-IUODEOHRSA-N 1 3 246.354 2.139 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)c2ccccc21 ZINC000132061531 386219177 /nfs/dbraw/zinc/21/91/77/386219177.db2.gz SWEPYNYPJLXDLL-NILFDRSVSA-N 1 3 246.354 2.290 20 0 BEADHO CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000132147252 386222068 /nfs/dbraw/zinc/22/20/68/386222068.db2.gz WVNRRMKMQACGDR-ZIAGYGMSSA-N 1 3 248.370 2.272 20 0 BEADHO C[C@@H]1CN(CCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000414718843 386249707 /nfs/dbraw/zinc/24/97/07/386249707.db2.gz ZTOKFJGVMVMGRD-HIFRSBDPSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H]1C[N@H+](CCCN)CC[C@@H]1c1ccccc1 ZINC000414718843 386249710 /nfs/dbraw/zinc/24/97/10/386249710.db2.gz ZTOKFJGVMVMGRD-HIFRSBDPSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H]1C[N@@H+](CCCN)CC[C@@H]1c1ccccc1 ZINC000414718843 386249716 /nfs/dbraw/zinc/24/97/16/386249716.db2.gz ZTOKFJGVMVMGRD-HIFRSBDPSA-N 1 3 232.371 2.461 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000414693089 386194031 /nfs/dbraw/zinc/19/40/31/386194031.db2.gz DLNHAMLHEMFOJN-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000414693089 386194032 /nfs/dbraw/zinc/19/40/32/386194032.db2.gz DLNHAMLHEMFOJN-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO CCCN(CCC[NH3+])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000414693089 386194033 /nfs/dbraw/zinc/19/40/33/386194033.db2.gz DLNHAMLHEMFOJN-CHWSQXEVSA-N 1 3 242.407 2.251 20 0 BEADHO N[C@H](C[NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000414896091 386197211 /nfs/dbraw/zinc/19/72/11/386197211.db2.gz OEAOYHWWBUOWIV-VSZDKKFSSA-N 1 3 234.318 2.166 20 0 BEADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414730039 386281549 /nfs/dbraw/zinc/28/15/49/386281549.db2.gz GIFQTBMEDFWVBL-JYJNAYRXSA-N 1 3 244.382 2.461 20 0 BEADHO Cc1cc(C)c(C[NH2+]C[C@H](N)C2CC2)cc1C ZINC000414901423 386300057 /nfs/dbraw/zinc/30/00/57/386300057.db2.gz WYWQGYKDNVAYGF-HNNXBMFYSA-N 1 3 232.371 2.439 20 0 BEADHO Cc1cc(C)c(C[NH2+]C[C@@H](N)C2CC2)cc1C ZINC000414901425 386302496 /nfs/dbraw/zinc/30/24/96/386302496.db2.gz WYWQGYKDNVAYGF-OAHLLOKOSA-N 1 3 232.371 2.439 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CCN1 ZINC000335261608 386319853 /nfs/dbraw/zinc/31/98/53/386319853.db2.gz OZYHCDQEFBNEDS-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1C ZINC000415004309 386276851 /nfs/dbraw/zinc/27/68/51/386276851.db2.gz HNNFJJRUUPGXBE-VXGBXAGGSA-N 1 3 206.333 2.129 20 0 BEADHO C[C@@H]1[C@@H](c2ccccc2)CCN1C[C@@H]1CC[NH2+]C1 ZINC000647889347 386357007 /nfs/dbraw/zinc/35/70/07/386357007.db2.gz JBTNKLCXSKJPCF-FMKPAKJESA-N 1 3 244.382 2.474 20 0 BEADHO CSCCC[N@H+](C)CC[C@H]1CCCN1C ZINC000336697228 386378021 /nfs/dbraw/zinc/37/80/21/386378021.db2.gz NMQSLYJEPULCSB-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CSCCC[N@@H+](C)CC[C@H]1CCCN1C ZINC000336697228 386378026 /nfs/dbraw/zinc/37/80/26/386378026.db2.gz NMQSLYJEPULCSB-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CCc1cccc(F)c1 ZINC000415006385 386325736 /nfs/dbraw/zinc/32/57/36/386325736.db2.gz BIRQPBREOHWHCB-UTUOFQBUSA-N 1 3 238.350 2.472 20 0 BEADHO NCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414759314 386411734 /nfs/dbraw/zinc/41/17/34/386411734.db2.gz ZWBAHQWEQBPFSS-GJZGRUSLSA-N 1 3 232.371 2.336 20 0 BEADHO c1ccc(OCCCC[N@@H+]2CCCNCC2)cc1 ZINC000339405582 386417759 /nfs/dbraw/zinc/41/77/59/386417759.db2.gz CNPDEOKWMPTFPY-UHFFFAOYSA-N 1 3 248.370 2.141 20 0 BEADHO c1ccc(OCCCC[N@H+]2CCCNCC2)cc1 ZINC000339405582 386417763 /nfs/dbraw/zinc/41/77/63/386417763.db2.gz CNPDEOKWMPTFPY-UHFFFAOYSA-N 1 3 248.370 2.141 20 0 BEADHO c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCNCC2)cc1 ZINC000414781039 386497646 /nfs/dbraw/zinc/49/76/46/386497646.db2.gz MMFCYYKTQHXNQG-ZFWWWQNUSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@@H]2C[C@H]2CNC2CC[NH2+]CC2)cc1 ZINC000414781039 386497649 /nfs/dbraw/zinc/49/76/49/386497649.db2.gz MMFCYYKTQHXNQG-ZFWWWQNUSA-N 1 3 230.355 2.132 20 0 BEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1Cl ZINC000415014965 386501430 /nfs/dbraw/zinc/50/14/30/386501430.db2.gz MOGCKIWEQVUINL-VHSXEESVSA-N 1 3 226.751 2.474 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]C1CCNCC1 ZINC000414782945 386512357 /nfs/dbraw/zinc/51/23/57/386512357.db2.gz PWDMEXHODAMGQA-MRVPVSSYSA-N 1 3 224.270 2.059 20 0 BEADHO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)N)ccc1Cl ZINC000415024154 386513554 /nfs/dbraw/zinc/51/35/54/386513554.db2.gz YCLTUNZOSPAEDJ-ZJUUUORDSA-N 1 3 226.751 2.474 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031615 386520089 /nfs/dbraw/zinc/52/00/89/386520089.db2.gz GKEWVCYJBHNBCC-LBELIVKGSA-N 1 3 222.376 2.009 20 0 BEADHO CCC[C@@H](C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000414915584 386523561 /nfs/dbraw/zinc/52/35/61/386523561.db2.gz ZRXWQASBQSIQJY-CHWSQXEVSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC000415037744 386524070 /nfs/dbraw/zinc/52/40/70/386524070.db2.gz NDLNOZSMXNUZMV-FHUSYTEZSA-N 1 3 222.376 2.009 20 0 BEADHO CCCC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039693 386527157 /nfs/dbraw/zinc/52/71/57/386527157.db2.gz PLWYHOSRWJJDDB-DGTMBMJNSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000415010350 386454688 /nfs/dbraw/zinc/45/46/88/386454688.db2.gz OYWILMCAJZEGFN-GHMZBOCLSA-N 1 3 229.327 2.060 20 0 BEADHO CCN(CCC1CC[NH2+]CC1)Cc1ccccn1 ZINC000094918308 386463612 /nfs/dbraw/zinc/46/36/12/386463612.db2.gz CJBKOQSUZAEQTI-UHFFFAOYSA-N 1 3 247.386 2.293 20 0 BEADHO C[C@H]1CCCC[C@H]1CN(C)C1CC([NH3+])C1 ZINC000394819242 386530550 /nfs/dbraw/zinc/53/05/50/386530550.db2.gz FYPMAOMDMMEZSV-ZSVAQUKISA-N 1 3 210.365 2.234 20 0 BEADHO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])s1 ZINC000308604108 386576669 /nfs/dbraw/zinc/57/66/69/386576669.db2.gz GKCUCTZWOLDXQK-WCBMZHEXSA-N 1 3 212.362 2.302 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](N)C(C)C)c(C)c1 ZINC000414800176 386582803 /nfs/dbraw/zinc/58/28/03/386582803.db2.gz RWOHNIUTDUGOCN-AWEZNQCLSA-N 1 3 220.360 2.376 20 0 BEADHO CC(C)[C@@H](C[NH2+]C1CCNCC1)c1cccnc1 ZINC000415077868 386586317 /nfs/dbraw/zinc/58/63/17/386586317.db2.gz FTAADLHBUSJQLE-OAHLLOKOSA-N 1 3 247.386 2.163 20 0 BEADHO CC(C)[C@@H](CNC1CC[NH2+]CC1)c1cccnc1 ZINC000415077868 386586320 /nfs/dbraw/zinc/58/63/20/386586320.db2.gz FTAADLHBUSJQLE-OAHLLOKOSA-N 1 3 247.386 2.163 20 0 BEADHO Cc1ccccc1C[C@@H](C)NC[C@@H]([NH3+])C(C)C ZINC000414800598 386587733 /nfs/dbraw/zinc/58/77/33/386587733.db2.gz SEXYALYYPMQVNC-UKRRQHHQSA-N 1 3 234.387 2.499 20 0 BEADHO Cc1ccccc1C[C@@H](C)NC[C@H]([NH3+])C(C)C ZINC000414800597 386588380 /nfs/dbraw/zinc/58/83/80/386588380.db2.gz SEXYALYYPMQVNC-HIFRSBDPSA-N 1 3 234.387 2.499 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@@H](C)Cc1ccccc1 ZINC000414801014 386589288 /nfs/dbraw/zinc/58/92/88/386589288.db2.gz SUNLWVPYHZRKPB-DZGCQCFKSA-N 1 3 234.387 2.438 20 0 BEADHO CC(C)[C@H](CNCC(C)(C)[NH3+])c1cccnc1 ZINC000415081305 386592264 /nfs/dbraw/zinc/59/22/64/386592264.db2.gz KHARJMGYVPXQBP-ZDUSSCGKSA-N 1 3 235.375 2.148 20 0 BEADHO CC(C)[C@@H](CNCC(C)(C)[NH3+])c1cccnc1 ZINC000415081302 386592489 /nfs/dbraw/zinc/59/24/89/386592489.db2.gz KHARJMGYVPXQBP-CYBMUJFWSA-N 1 3 235.375 2.148 20 0 BEADHO CCC([NH3+])(CC)CN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000414802536 386596536 /nfs/dbraw/zinc/59/65/36/386596536.db2.gz BVUFOQMXCDCQJP-QWHCGFSZSA-N 1 3 242.407 2.297 20 0 BEADHO CC[C@H](Cc1ccc(C)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046469 386532034 /nfs/dbraw/zinc/53/20/34/386532034.db2.gz XIDVXNZYCLDWSW-WCVJEAGWSA-N 1 3 244.382 2.124 20 0 BEADHO C[C@@]1(CN2CCCc3ccccc3C2)CC[NH2+]C1 ZINC000062946198 386534576 /nfs/dbraw/zinc/53/45/76/386534576.db2.gz PFPWCMMGWKIOPL-MRXNPFEDSA-N 1 3 244.382 2.434 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+]CCCNC1CC1 ZINC000415063567 386544400 /nfs/dbraw/zinc/54/44/00/386544400.db2.gz AGUDHQFLUXMMJB-VIFPVBQESA-N 1 3 238.297 2.449 20 0 BEADHO C([NH2+][C@H]1CCCC12CCCCC2)C1CNC1 ZINC000335462704 386545937 /nfs/dbraw/zinc/54/59/37/386545937.db2.gz UAGMGMZKFOJCBD-ZDUSSCGKSA-N 1 3 222.376 2.298 20 0 BEADHO C[C@H]([NH3+])CN1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000647995267 386546948 /nfs/dbraw/zinc/54/69/48/386546948.db2.gz KBDZTNJYZDNYPV-XQQFMLRXSA-N 1 3 224.392 2.482 20 0 BEADHO CC1(C)CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000415066487 386547186 /nfs/dbraw/zinc/54/71/86/386547186.db2.gz IWRHKTRGNOUUGB-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H](N)C[NH2+]C/C=C/c1ccccc1 ZINC000414791698 386548314 /nfs/dbraw/zinc/54/83/14/386548314.db2.gz IFPGLXGBHHOFRN-VIIAAUOXSA-N 1 3 218.344 2.273 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@@H](C)c1ccccc1 ZINC000414795589 386572023 /nfs/dbraw/zinc/57/20/23/386572023.db2.gz NBYFCCOKPJYPQN-TZMCWYRMSA-N 1 3 220.360 2.363 20 0 BEADHO C1CC12CCC(N[C@H]1CCCC[NH2+]C1)CC2 ZINC000335495829 386619325 /nfs/dbraw/zinc/61/93/25/386619325.db2.gz NQKYYESPMCRVBP-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H](N[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000335497948 386623659 /nfs/dbraw/zinc/62/36/59/386623659.db2.gz BTPZLZUFFOAPGY-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000442759903 386631148 /nfs/dbraw/zinc/63/11/48/386631148.db2.gz SPXRBCGITHWYBN-CZUORRHYSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000442759903 386631152 /nfs/dbraw/zinc/63/11/52/386631152.db2.gz SPXRBCGITHWYBN-CZUORRHYSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CCN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000442759903 386631157 /nfs/dbraw/zinc/63/11/57/386631157.db2.gz SPXRBCGITHWYBN-CZUORRHYSA-N 1 3 246.398 2.461 20 0 BEADHO CCOC[C@H](C)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000414813142 386642155 /nfs/dbraw/zinc/64/21/55/386642155.db2.gz SLCCZAAYZUHQKH-NWDGAFQWSA-N 1 3 236.359 2.221 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccccc1F ZINC000414817221 386651883 /nfs/dbraw/zinc/65/18/83/386651883.db2.gz AGXJPOWLUMDTML-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000414817221 386651891 /nfs/dbraw/zinc/65/18/91/386651891.db2.gz AGXJPOWLUMDTML-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO Cc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000415085428 386601952 /nfs/dbraw/zinc/60/19/52/386601952.db2.gz IEQUUNLPLJOHHA-GDBMZVCRSA-N 1 3 246.398 2.434 20 0 BEADHO Cc1ccccc1C[NH2+]C[C@H](N)C(C)C ZINC000414805458 386602588 /nfs/dbraw/zinc/60/25/88/386602588.db2.gz YNGVFQLZQOMYEZ-ZDUSSCGKSA-N 1 3 206.333 2.068 20 0 BEADHO CCSCC[N@H+](C)CCCN1CCCC1 ZINC000337222574 386663223 /nfs/dbraw/zinc/66/32/23/386663223.db2.gz FSDLMQCOUPVREM-UHFFFAOYSA-N 1 3 230.421 2.157 20 0 BEADHO CCSCC[N@@H+](C)CCCN1CCCC1 ZINC000337222574 386663227 /nfs/dbraw/zinc/66/32/27/386663227.db2.gz FSDLMQCOUPVREM-UHFFFAOYSA-N 1 3 230.421 2.157 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]CC[C@H](C)N ZINC000414820213 386665378 /nfs/dbraw/zinc/66/53/78/386665378.db2.gz JEZHJHJEGZGSKG-JGVFFNPUSA-N 1 3 212.259 2.044 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414818804 386668020 /nfs/dbraw/zinc/66/80/20/386668020.db2.gz FYSMGUUPHMKGBN-CYZMBNFOSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000414926222 386670243 /nfs/dbraw/zinc/67/02/43/386670243.db2.gz KNKVSHXAUWTNJW-GZBFAFLISA-N 1 3 232.371 2.378 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000414821364 386676388 /nfs/dbraw/zinc/67/63/88/386676388.db2.gz DVKRWCCGCAGNHM-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414825138 386688508 /nfs/dbraw/zinc/68/85/08/386688508.db2.gz SANZXOQVZJTACX-DRZSPHRISA-N 1 3 210.365 2.282 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414826203 386695378 /nfs/dbraw/zinc/69/53/78/386695378.db2.gz VDYFEDVHYVIHMY-MCIONIFRSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H](CC(C)C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826203 386695388 /nfs/dbraw/zinc/69/53/88/386695388.db2.gz VDYFEDVHYVIHMY-MCIONIFRSA-N 1 3 242.407 2.025 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000122316946 386740527 /nfs/dbraw/zinc/74/05/27/386740527.db2.gz VYKQNWNZIKLTBF-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO COC[C@H](CC(C)C)N[C@H](C[NH3+])CC(C)C ZINC000414836714 386731112 /nfs/dbraw/zinc/73/11/12/386731112.db2.gz IXIFYKWKYDTXIB-STQMWFEESA-N 1 3 230.396 2.011 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000414832178 386718257 /nfs/dbraw/zinc/71/82/57/386718257.db2.gz FAFCOMXZRHJONC-UHTWSYAYSA-N 1 3 210.365 2.010 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000414834129 386719297 /nfs/dbraw/zinc/71/92/97/386719297.db2.gz GYEDKRQJUXPWEQ-WUHRBBMRSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)CCN1 ZINC000335540282 386719809 /nfs/dbraw/zinc/71/98/09/386719809.db2.gz ZZWWUXWHZMFRNT-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000414839738 386745431 /nfs/dbraw/zinc/74/54/31/386745431.db2.gz MOWRJAMVIJLKOF-BDAKNGLRSA-N 1 3 226.286 2.163 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414933273 386788083 /nfs/dbraw/zinc/78/80/83/386788083.db2.gz DLNKPLWWVPATLC-IVZWLZJFSA-N 1 3 238.297 2.305 20 0 BEADHO CC(C)c1ccc([C@@H](N)CNCC(C)(C)[NH3+])cc1 ZINC000414846652 386816195 /nfs/dbraw/zinc/81/61/95/386816195.db2.gz NTANBTWFGJHEAT-AWEZNQCLSA-N 1 3 249.402 2.137 20 0 BEADHO C[C@@H](C[NH3+])NC[C@@H](C)c1cccc(Cl)c1 ZINC000414935978 386818040 /nfs/dbraw/zinc/81/80/40/386818040.db2.gz BKZZARXNULKGQO-ZJUUUORDSA-N 1 3 226.751 2.380 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417959257 386823987 /nfs/dbraw/zinc/82/39/87/386823987.db2.gz LPGYIAOLQDSPCB-RWMBFGLXSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2COC(C)(C)C2)C1 ZINC000417959257 386823995 /nfs/dbraw/zinc/82/39/95/386823995.db2.gz LPGYIAOLQDSPCB-RWMBFGLXSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](CCCCO)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398538511 386836275 /nfs/dbraw/zinc/83/62/75/386836275.db2.gz UBZKTNSUIGXBNT-KCPJHIHWSA-N 1 3 248.370 2.272 20 0 BEADHO C[C@H](CCCCO)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398538513 386836577 /nfs/dbraw/zinc/83/65/77/386836577.db2.gz UBZKTNSUIGXBNT-UGFHNGPFSA-N 1 3 248.370 2.272 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000425340151 386839926 /nfs/dbraw/zinc/83/99/26/386839926.db2.gz DLYDFDFLBIASPX-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@@H](C)C[NH+]1CCCC1 ZINC000425340151 386839928 /nfs/dbraw/zinc/83/99/28/386839928.db2.gz DLYDFDFLBIASPX-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@@H](C)[C@H](C)[N@H+](CCCNC)C1CC1 ZINC000336674210 386841826 /nfs/dbraw/zinc/84/18/26/386841826.db2.gz KBVBWKQULVASRN-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO CC[C@@H](C)[C@H](C)[N@@H+](CCCNC)C1CC1 ZINC000336674210 386841830 /nfs/dbraw/zinc/84/18/30/386841830.db2.gz KBVBWKQULVASRN-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](C[NH3+])N(C)c1ccnc2ccccc21 ZINC000125495731 386847524 /nfs/dbraw/zinc/84/75/24/386847524.db2.gz PAUYXVJVNZIUPU-JTQLQIEISA-N 1 3 215.300 2.018 20 0 BEADHO C[C@H](C[NH3+])N(C)c1ccnc2ccccc21 ZINC000125495973 386848120 /nfs/dbraw/zinc/84/81/20/386848120.db2.gz PAUYXVJVNZIUPU-SNVBAGLBSA-N 1 3 215.300 2.018 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000414937897 386857216 /nfs/dbraw/zinc/85/72/16/386857216.db2.gz CTFAYSLCCXFWMZ-YVECIDJPSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000324313613 386871772 /nfs/dbraw/zinc/87/17/72/386871772.db2.gz NASPJRMKEDEWDP-AVGNSLFASA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000324313615 386872183 /nfs/dbraw/zinc/87/21/83/386872183.db2.gz NASPJRMKEDEWDP-RWMBFGLXSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(C)C)CCN1 ZINC000414939936 386874044 /nfs/dbraw/zinc/87/40/44/386874044.db2.gz BKUGRDWJBHIVLM-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO CC1(C)CCC[NH2+][C@H]1CNC1CCSCC1 ZINC000334862350 386915473 /nfs/dbraw/zinc/91/54/73/386915473.db2.gz KJKBXRRTKRIDNV-LBPRGKRZSA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)C1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334849077 386898588 /nfs/dbraw/zinc/89/85/88/386898588.db2.gz VCKIQESDIFGEKS-TWASESMYSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)C[NH3+] ZINC000414942312 386900844 /nfs/dbraw/zinc/90/08/44/386900844.db2.gz KAHFQHWKMGQGAG-ZJUUUORDSA-N 1 3 226.751 2.208 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@H]2CCNC[C@H]2C)c1 ZINC000334859359 386913384 /nfs/dbraw/zinc/91/33/84/386913384.db2.gz YSEFFPUZBZLVNS-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO CC1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC000334867463 386926992 /nfs/dbraw/zinc/92/69/92/386926992.db2.gz GAZAVGXSJNBHAV-KPFVRQRISA-N 1 3 210.365 2.295 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000331932937 386928109 /nfs/dbraw/zinc/92/81/09/386928109.db2.gz IOQNHHSXIVDSAY-GBJTYRQASA-N 1 3 246.354 2.024 20 0 BEADHO C[C@@]1(C[NH2+]C2Cc3ccccc3C2)CCCNC1 ZINC000334875841 386936451 /nfs/dbraw/zinc/93/64/51/386936451.db2.gz UQXIMQDZTANDCN-MRXNPFEDSA-N 1 3 244.382 2.133 20 0 BEADHO C[C@@]1(CNC2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000334875841 386936456 /nfs/dbraw/zinc/93/64/56/386936456.db2.gz UQXIMQDZTANDCN-MRXNPFEDSA-N 1 3 244.382 2.133 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CC[C@H]1SC ZINC000425356538 386967970 /nfs/dbraw/zinc/96/79/70/386967970.db2.gz PLZLLVFKSYPWGO-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425356538 386967974 /nfs/dbraw/zinc/96/79/74/386967974.db2.gz PLZLLVFKSYPWGO-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO CS[C@H]1CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000425363010 386971527 /nfs/dbraw/zinc/97/15/27/386971527.db2.gz WFKKQDPTYQOXTJ-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO COc1cccc(CCCN2CCC([NH3+])CC2)c1 ZINC000011729490 386990681 /nfs/dbraw/zinc/99/06/81/386990681.db2.gz DQHUHOKGNYUTJU-UHFFFAOYSA-N 1 3 248.370 2.051 20 0 BEADHO CSC1(C[N@@H+]2CCC[C@@H](N(C)C)CC2)CC1 ZINC000367317257 386991913 /nfs/dbraw/zinc/99/19/13/386991913.db2.gz JGDWBFHHAGTCBX-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1(C[N@H+]2CCC[C@@H](N(C)C)CC2)CC1 ZINC000367317257 386991914 /nfs/dbraw/zinc/99/19/14/386991914.db2.gz JGDWBFHHAGTCBX-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1(CN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000367317257 386991918 /nfs/dbraw/zinc/99/19/18/386991918.db2.gz JGDWBFHHAGTCBX-GFCCVEGCSA-N 1 3 242.432 2.298 20 0 BEADHO [NH3+]C1(CN[C@H]2CCCSC2)CCCCC1 ZINC000334820586 386950270 /nfs/dbraw/zinc/95/02/70/386950270.db2.gz ZVOPSKOWWGBNKC-NSHDSACASA-N 1 3 228.405 2.133 20 0 BEADHO COCc1cccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126930337 387074240 /nfs/dbraw/zinc/07/42/40/387074240.db2.gz SABPAEWTOLOIJM-DOMZBBRYSA-N 1 3 248.370 2.002 20 0 BEADHO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)CN ZINC000423299158 387130720 /nfs/dbraw/zinc/13/07/20/387130720.db2.gz PLIHWRKUJQIUIS-WOPDTQHZSA-N 1 3 200.370 2.386 20 0 BEADHO CC[C@@H](NCC1CC[NH2+]CC1)c1nccs1 ZINC000070733281 387091074 /nfs/dbraw/zinc/09/10/74/387091074.db2.gz GHOOLVLXEBFWMH-LLVKDONJSA-N 1 3 239.388 2.183 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335004047 387096781 /nfs/dbraw/zinc/09/67/81/387096781.db2.gz AIELBXVYDMTZMQ-HBIQZDMRSA-N 1 3 246.345 2.398 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000335004461 387098719 /nfs/dbraw/zinc/09/87/19/387098719.db2.gz DCMGDUZAEWCTFX-WTIISPKJSA-N 1 3 210.365 2.009 20 0 BEADHO CC1(F)CC(N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000335004822 387099416 /nfs/dbraw/zinc/09/94/16/387099416.db2.gz GNOOHVCJVUYLLJ-UPOSSJBDSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCN1 ZINC000335010068 387105401 /nfs/dbraw/zinc/10/54/01/387105401.db2.gz MSPACGURZKSVRC-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000250667703 387120983 /nfs/dbraw/zinc/12/09/83/387120983.db2.gz SJVXEZYSOZHYDR-UTLUCORTSA-N 1 3 236.281 2.059 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@H]2CCCCC[C@@H]2N)cn1 ZINC000335028901 387122207 /nfs/dbraw/zinc/12/22/07/387122207.db2.gz ZSNJXHFXILSWEH-GJZGRUSLSA-N 1 3 247.386 2.448 20 0 BEADHO Cc1ccc(CC[C@@H](C)[NH2+]CC2CNC2)cc1 ZINC000423300521 387132261 /nfs/dbraw/zinc/13/22/61/387132261.db2.gz FCRWLODICAMIKR-CYBMUJFWSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1ccc(CC[C@@H](C)NCC2C[NH2+]C2)cc1 ZINC000423300521 387132264 /nfs/dbraw/zinc/13/22/64/387132264.db2.gz FCRWLODICAMIKR-CYBMUJFWSA-N 1 3 232.371 2.125 20 0 BEADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CNC1 ZINC000423299030 387129178 /nfs/dbraw/zinc/12/91/78/387129178.db2.gz ASMAIHDLBMZNIB-HNNXBMFYSA-N 1 3 232.371 2.125 20 0 BEADHO CC[C@@H](Cc1ccc(C)cc1)NCC1C[NH2+]C1 ZINC000423299030 387129183 /nfs/dbraw/zinc/12/91/83/387129183.db2.gz ASMAIHDLBMZNIB-HNNXBMFYSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423298757 387129226 /nfs/dbraw/zinc/12/92/26/387129226.db2.gz AFYDAFMHLXTROT-CVEARBPZSA-N 1 3 244.382 2.440 20 0 BEADHO Cc1ccc([C@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423298757 387129232 /nfs/dbraw/zinc/12/92/32/387129232.db2.gz AFYDAFMHLXTROT-CVEARBPZSA-N 1 3 244.382 2.440 20 0 BEADHO COc1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])CCC2 ZINC000423299662 387130056 /nfs/dbraw/zinc/13/00/56/387130056.db2.gz QJJIIBHNFMCLKT-IAQYHMDHSA-N 1 3 248.370 2.257 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1CNC1 ZINC000423308747 387143802 /nfs/dbraw/zinc/14/38/02/387143802.db2.gz YGFAEYZJSZHEQQ-NEPJUHHUSA-N 1 3 212.381 2.256 20 0 BEADHO CCC[NH2+]CCN[C@H](C)C1CCSCC1 ZINC000423307948 387144428 /nfs/dbraw/zinc/14/44/28/387144428.db2.gz IIXHJUOMCMBXFN-LLVKDONJSA-N 1 3 230.421 2.107 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2cc(F)ccc21 ZINC000423308124 387144481 /nfs/dbraw/zinc/14/44/81/387144481.db2.gz NXLPTCXTWSSUDX-QMTHXVAHSA-N 1 3 236.334 2.388 20 0 BEADHO CCC[NH2+]CCN[C@H]1CC(C)(C)C[C@@H]1C ZINC000423309856 387145705 /nfs/dbraw/zinc/14/57/05/387145705.db2.gz MENBDSRHIHJTFZ-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](F)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353152870 387145911 /nfs/dbraw/zinc/14/59/11/387145911.db2.gz JIGMYRSTGGQOEQ-FKJOKYEKSA-N 1 3 228.355 2.292 20 0 BEADHO C[C@@H](F)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353152870 387145915 /nfs/dbraw/zinc/14/59/15/387145915.db2.gz JIGMYRSTGGQOEQ-FKJOKYEKSA-N 1 3 228.355 2.292 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)C2CC2)c(C)c1 ZINC000423310392 387146533 /nfs/dbraw/zinc/14/65/33/387146533.db2.gz AGBDJPXRLJLEQB-IAQYHMDHSA-N 1 3 248.370 2.392 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423312839 387151642 /nfs/dbraw/zinc/15/16/42/387151642.db2.gz DUQKZPYQMLQLAQ-SMDDNHRTSA-N 1 3 218.344 2.383 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](N)C1CC1 ZINC000423313549 387152009 /nfs/dbraw/zinc/15/20/09/387152009.db2.gz FUROPOUOCKGDCS-CQDKDKBSSA-N 1 3 248.370 2.090 20 0 BEADHO CC(C)[C@H]1CCC[C@H]([NH2+]C[C@H](C)CN)C1 ZINC000423312956 387152342 /nfs/dbraw/zinc/15/23/42/387152342.db2.gz VVKCYCSMMMYRQB-AGIUHOORSA-N 1 3 212.381 2.386 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000423314450 387154788 /nfs/dbraw/zinc/15/47/88/387154788.db2.gz HHEYXHDDOAXAHW-XHDPSFHLSA-N 1 3 248.370 2.473 20 0 BEADHO CC(C)CC[C@H]([NH2+]CC1CNC1)C1CC1 ZINC000423314835 387155048 /nfs/dbraw/zinc/15/50/48/387155048.db2.gz HWEUQVGLOSRSAE-ZDUSSCGKSA-N 1 3 210.365 2.010 20 0 BEADHO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)CN)CCC2 ZINC000423316927 387156069 /nfs/dbraw/zinc/15/60/69/387156069.db2.gz BQZWONDSYVMFHK-RKDXNWHRSA-N 1 3 239.388 2.020 20 0 BEADHO CC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C(C)C ZINC000423318661 387158711 /nfs/dbraw/zinc/15/87/11/387158711.db2.gz CUIGTRSULLEHIS-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccs1 ZINC000423320619 387163250 /nfs/dbraw/zinc/16/32/50/387163250.db2.gz MILUONLIOZTOFN-WPRPVWTQSA-N 1 3 210.346 2.136 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(OC)c1 ZINC000423321675 387165930 /nfs/dbraw/zinc/16/59/30/387165930.db2.gz NKKLTVFQNFBEHP-LSDHHAIUSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H](Cc1ccoc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000423330485 387176488 /nfs/dbraw/zinc/17/64/88/387176488.db2.gz GAWBWIARFOCWBV-GXTWGEPZSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423330485 387176491 /nfs/dbraw/zinc/17/64/91/387176491.db2.gz GAWBWIARFOCWBV-GXTWGEPZSA-N 1 3 236.359 2.190 20 0 BEADHO Cc1ccccc1C[C@H]([NH2+]CC1CNC1)C1CC1 ZINC000423333160 387177326 /nfs/dbraw/zinc/17/73/26/387177326.db2.gz VMJXLXUWKXLABJ-INIZCTEOSA-N 1 3 244.382 2.125 20 0 BEADHO Cc1ccccc1C[C@H](NCC1C[NH2+]C1)C1CC1 ZINC000423333160 387177330 /nfs/dbraw/zinc/17/73/30/387177330.db2.gz VMJXLXUWKXLABJ-INIZCTEOSA-N 1 3 244.382 2.125 20 0 BEADHO C[C@H](C[NH3+])N[C@@H](C)C(C)(C)c1ccccc1 ZINC000423333991 387179979 /nfs/dbraw/zinc/17/99/79/387179979.db2.gz SBRBRHTUFNLAKG-NEPJUHHUSA-N 1 3 220.360 2.290 20 0 BEADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1(C)CC1 ZINC000423334788 387180979 /nfs/dbraw/zinc/18/09/79/387180979.db2.gz RFEFLVCQOOUMRW-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CN)C[NH2+]C1CCc2ccccc2CC1 ZINC000423300669 387132764 /nfs/dbraw/zinc/13/27/64/387132764.db2.gz DUMMUXQKUVYTEE-GFCCVEGCSA-N 1 3 232.371 2.118 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCCOc2ccccc21 ZINC000423301168 387132835 /nfs/dbraw/zinc/13/28/35/387132835.db2.gz SQPBPNMUQCYBED-AAEUAGOBSA-N 1 3 234.343 2.085 20 0 BEADHO CCC[C@H]([NH2+]C[C@@H](C)CN)C(C)(C)C ZINC000423302341 387134094 /nfs/dbraw/zinc/13/40/94/387134094.db2.gz HDYSKEBIIOAASR-QWRGUYRKSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423302867 387135120 /nfs/dbraw/zinc/13/51/20/387135120.db2.gz WDRWGJOWWFVCHZ-DOMZBBRYSA-N 1 3 232.371 2.192 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)CN ZINC000423301802 387135244 /nfs/dbraw/zinc/13/52/44/387135244.db2.gz GNJPRYDJPZNAGJ-YVECIDJPSA-N 1 3 212.381 2.386 20 0 BEADHO c1ccc([C@@H]2CC[C@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423304410 387139636 /nfs/dbraw/zinc/13/96/36/387139636.db2.gz NUJYCFYHQDHZIC-CABCVRRESA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@@H]2CC[C@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423304410 387139641 /nfs/dbraw/zinc/13/96/41/387139641.db2.gz NUJYCFYHQDHZIC-CABCVRRESA-N 1 3 230.355 2.132 20 0 BEADHO CCC[NH2+]CCN[C@@H]1C[C@@H](C)CC[C@H]1C ZINC000423305460 387139818 /nfs/dbraw/zinc/13/98/18/387139818.db2.gz BZYUVRFELLVELG-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1CCCF ZINC000423305380 387140234 /nfs/dbraw/zinc/14/02/34/387140234.db2.gz BNFHOWFUXRKNDE-CHWSQXEVSA-N 1 3 230.371 2.494 20 0 BEADHO c1ccc2c(c1)CCC[C@H]([NH2+]C1CCNCC1)C2 ZINC000643496301 387206672 /nfs/dbraw/zinc/20/66/72/387206672.db2.gz QMQRZQLESQJUHN-INIZCTEOSA-N 1 3 244.382 2.276 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCSCC1 ZINC000423365095 387215850 /nfs/dbraw/zinc/21/58/50/387215850.db2.gz CVEVEBBQKUUCRF-NTZNESFSSA-N 1 3 242.432 2.106 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H](C)C1CCSCC1 ZINC000423367339 387219555 /nfs/dbraw/zinc/21/95/55/387219555.db2.gz AELMIUMZIQRCPZ-MNOVXSKESA-N 1 3 230.421 2.106 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423368280 387220513 /nfs/dbraw/zinc/22/05/13/387220513.db2.gz FCPUWTXTUUUBFP-MBNYWOFBSA-N 1 3 218.344 2.478 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H]1CC1(C)C ZINC000423368975 387221587 /nfs/dbraw/zinc/22/15/87/387221587.db2.gz BMMPSGBDYIQTDR-KXNHARMFSA-N 1 3 210.365 2.151 20 0 BEADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369803 387223302 /nfs/dbraw/zinc/22/33/02/387223302.db2.gz OSELUCJGJXTKJE-XQQFMLRXSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCSCC1 ZINC000423371775 387224671 /nfs/dbraw/zinc/22/46/71/387224671.db2.gz FQWAEWGIWLHJSL-WZRBSPASSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)CCN1 ZINC000423373674 387229341 /nfs/dbraw/zinc/22/93/41/387229341.db2.gz JHXCZYYSHXFYTG-UXIGCNINSA-N 1 3 230.355 2.404 20 0 BEADHO C[C@@H](Cc1coc2ccccc12)NCC1C[NH2+]C1 ZINC000423326111 387230006 /nfs/dbraw/zinc/23/00/06/387230006.db2.gz QMUBSGWRBFIZHP-NSHDSACASA-N 1 3 244.338 2.173 20 0 BEADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CC1CNC1 ZINC000423326111 387230012 /nfs/dbraw/zinc/23/00/12/387230012.db2.gz QMUBSGWRBFIZHP-NSHDSACASA-N 1 3 244.338 2.173 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423396994 387233119 /nfs/dbraw/zinc/23/31/19/387233119.db2.gz NYWWEQUZRSUURU-RFGFWPKPSA-N 1 3 242.382 2.492 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000423407836 387242905 /nfs/dbraw/zinc/24/29/05/387242905.db2.gz WKQCSZSYFLWSON-ITGHMWBKSA-N 1 3 224.392 2.399 20 0 BEADHO COCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423407287 387243584 /nfs/dbraw/zinc/24/35/84/387243584.db2.gz ZQWVOQQUYBGRGU-GFCCVEGCSA-N 1 3 248.370 2.195 20 0 BEADHO COC[C@@]1(CN[C@H](C)CC(C)(C)C)CCC[NH2+]1 ZINC000423413430 387247078 /nfs/dbraw/zinc/24/70/78/387247078.db2.gz KLIVBZCUPXNOFZ-OCCSQVGLSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccco1 ZINC000423420204 387247969 /nfs/dbraw/zinc/24/79/69/387247969.db2.gz AEQRIJOVXKUQEL-KGYLQXTDSA-N 1 3 234.343 2.318 20 0 BEADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)(C)C ZINC000423346360 387195733 /nfs/dbraw/zinc/19/57/33/387195733.db2.gz ZZQFNROFPMBOIM-YPMHNXCESA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000423462646 387310995 /nfs/dbraw/zinc/31/09/95/387310995.db2.gz KXURSSDJWFTFHS-SMDDNHRTSA-N 1 3 218.344 2.309 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000423466312 387314575 /nfs/dbraw/zinc/31/45/75/387314575.db2.gz NJIWPFITFLWVNU-NXEZZACHSA-N 1 3 212.362 2.444 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccccc1 ZINC000423467664 387314867 /nfs/dbraw/zinc/31/48/67/387314867.db2.gz NZKSLINVPWGMBA-STQMWFEESA-N 1 3 206.333 2.465 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423470349 387316916 /nfs/dbraw/zinc/31/69/16/387316916.db2.gz PFTPWVSRNGPWAU-KGLIPLIRSA-N 1 3 218.344 2.465 20 0 BEADHO CC(C)CC[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423429130 387255161 /nfs/dbraw/zinc/25/51/61/387255161.db2.gz LALHRSUBNQKBOE-ZSAUSMIDSA-N 1 3 236.403 2.399 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H](C)CCCc1cccnc1 ZINC000423378381 387259933 /nfs/dbraw/zinc/25/99/33/387259933.db2.gz FUUWYCKSNWVUGA-UONOGXRCSA-N 1 3 249.402 2.380 20 0 BEADHO COCCC[C@H](C)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423379715 387263355 /nfs/dbraw/zinc/26/33/55/387263355.db2.gz GUBIERMILJOULR-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCN1 ZINC000423382728 387265037 /nfs/dbraw/zinc/26/50/37/387265037.db2.gz ONZDUIGBWGFSAR-XVIXHAIJSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)[C@@H]1C[C@@H]1C ZINC000423385675 387267429 /nfs/dbraw/zinc/26/74/29/387267429.db2.gz GWVAJBVJNOEYNW-IEECTRCBSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H](C[NH3+])N[C@@H](C)Cc1coc2ccccc12 ZINC000423390840 387276377 /nfs/dbraw/zinc/27/63/77/387276377.db2.gz KOYQBQRMLSSAPL-QWRGUYRKSA-N 1 3 232.327 2.301 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423470359 387317976 /nfs/dbraw/zinc/31/79/76/387317976.db2.gz PFTPWVSRNGPWAU-ZIAGYGMSSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCNc2ccccc21 ZINC000423431791 387283571 /nfs/dbraw/zinc/28/35/71/387283571.db2.gz AYKRRPMFIHKPEY-MJVIPROJSA-N 1 3 233.359 2.259 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)N)CC2 ZINC000423433333 387284148 /nfs/dbraw/zinc/28/41/48/387284148.db2.gz CDFWBGOGGGEWDB-ISTVAULSSA-N 1 3 234.343 2.008 20 0 BEADHO CCC[C@H](C)[C@@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437412 387288440 /nfs/dbraw/zinc/28/84/40/387288440.db2.gz QLTRSKVIOFGWJW-KIJLLGNVSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H](C)N ZINC000423441056 387291008 /nfs/dbraw/zinc/29/10/08/387291008.db2.gz JASVGWNHYFOLKF-IGJMFERPSA-N 1 3 222.307 2.138 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](C)N)CC2 ZINC000423444742 387294854 /nfs/dbraw/zinc/29/48/54/387294854.db2.gz MAHDNQYZFZZLCD-UHIISALHSA-N 1 3 218.344 2.308 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H](C)N ZINC000423444329 387295308 /nfs/dbraw/zinc/29/53/08/387295308.db2.gz LQJNOSZLFLLFDU-CWSCBRNRSA-N 1 3 234.343 2.008 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000423447424 387298229 /nfs/dbraw/zinc/29/82/29/387298229.db2.gz OZKLNTJBNJPXND-YCWTYVPXSA-N 1 3 236.334 2.384 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)CCCN2 ZINC000423450096 387299144 /nfs/dbraw/zinc/29/91/44/387299144.db2.gz SICRYUSBUFDWOL-NWDGAFQWSA-N 1 3 247.386 2.260 20 0 BEADHO CC(C)[C@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423453521 387302426 /nfs/dbraw/zinc/30/24/26/387302426.db2.gz KSUATGJIRZMREP-QSLWVIQJSA-N 1 3 222.376 2.009 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1sccc1C ZINC000423456870 387303264 /nfs/dbraw/zinc/30/32/64/387303264.db2.gz DVHRYAXNBAMWHE-VHSXEESVSA-N 1 3 212.362 2.444 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000423456108 387303668 /nfs/dbraw/zinc/30/36/68/387303668.db2.gz DEYMDEIHPOPXHA-ZANVPECISA-N 1 3 222.307 2.140 20 0 BEADHO CCC[C@@H](C)[C@@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423458686 387306908 /nfs/dbraw/zinc/30/69/08/387306908.db2.gz QLTRSKVIOFGWJW-LBELIVKGSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000423461478 387308736 /nfs/dbraw/zinc/30/87/36/387308736.db2.gz JROGTFGCBCJKNT-FPMFFAJLSA-N 1 3 236.359 2.090 20 0 BEADHO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cncs1 ZINC000423526919 387354711 /nfs/dbraw/zinc/35/47/11/387354711.db2.gz LWVPKRUFKMCPKV-ONGXEEELSA-N 1 3 239.388 2.311 20 0 BEADHO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cncs1 ZINC000423526917 387355734 /nfs/dbraw/zinc/35/57/34/387355734.db2.gz LWVPKRUFKMCPKV-KOLCDFICSA-N 1 3 239.388 2.311 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c(C)c1 ZINC000423480630 387360708 /nfs/dbraw/zinc/36/07/08/387360708.db2.gz WHERPHHILWSSGO-UTUOFQBUSA-N 1 3 236.359 2.390 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423481618 387363609 /nfs/dbraw/zinc/36/36/09/387363609.db2.gz XAEABDCCFHBTPM-XQQFMLRXSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CC1(C)C ZINC000423541760 387366474 /nfs/dbraw/zinc/36/64/74/387366474.db2.gz AAFOMUUPLFDZHI-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO c1ccc2c(c1)C[C@H]2CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000643453499 387371285 /nfs/dbraw/zinc/37/12/85/387371285.db2.gz HNAZBFGLFPJQKB-RDGKXADDSA-N 1 3 242.366 2.199 20 0 BEADHO Cc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc(C)n1 ZINC000423548892 387371342 /nfs/dbraw/zinc/37/13/42/387371342.db2.gz NAZZABMVZSNTTQ-LSDHHAIUSA-N 1 3 247.386 2.306 20 0 BEADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCNC1CC1 ZINC000423561697 387377065 /nfs/dbraw/zinc/37/70/65/387377065.db2.gz PZJXXZJSVXMFOH-XBFCOCLRSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@@H](NCCC[C@H]2CCC[NH2+]2)c2nccn21 ZINC000423472793 387319356 /nfs/dbraw/zinc/31/93/56/387319356.db2.gz GEFLBDPKKUIPIO-JHJVBQTASA-N 1 3 248.374 2.011 20 0 BEADHO C[C@@H]1C[C@@H](NCCC[C@@H]2CCC[NH2+]2)c2nccn21 ZINC000423472791 387320220 /nfs/dbraw/zinc/32/02/20/387320220.db2.gz GEFLBDPKKUIPIO-FRRDWIJNSA-N 1 3 248.374 2.011 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCC[C@H](OC)CC1 ZINC000372796283 387328411 /nfs/dbraw/zinc/32/84/11/387328411.db2.gz BSYAWGPEPPWVFK-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@H+]1CCC[C@H](OC)CC1 ZINC000372796283 387328416 /nfs/dbraw/zinc/32/84/16/387328416.db2.gz BSYAWGPEPPWVFK-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@@H]1C ZINC000321951514 387329208 /nfs/dbraw/zinc/32/92/08/387329208.db2.gz WXPPKSGZQDMQBF-YUTCNCBUSA-N 1 3 222.376 2.273 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372804157 387329604 /nfs/dbraw/zinc/32/96/04/387329604.db2.gz FCLMTGTURVWWRY-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372804157 387329608 /nfs/dbraw/zinc/32/96/08/387329608.db2.gz FCLMTGTURVWWRY-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)CCCN1CC[C@@H](C2CC2)C1 ZINC000372804157 387329614 /nfs/dbraw/zinc/32/96/14/387329614.db2.gz FCLMTGTURVWWRY-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423484562 387330733 /nfs/dbraw/zinc/33/07/33/387330733.db2.gz YPCSRQUIAQIQGV-DOMZBBRYSA-N 1 3 248.370 2.400 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@H](C)CCc1ccco1 ZINC000515053156 387333315 /nfs/dbraw/zinc/33/33/15/387333315.db2.gz DHRHAHUQLPCVDO-DGCLKSJQSA-N 1 3 224.348 2.174 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423486342 387333675 /nfs/dbraw/zinc/33/36/75/387333675.db2.gz WJCILUSUNVTIKH-HIFRSBDPSA-N 1 3 247.386 2.184 20 0 BEADHO Cc1cc(N)cc(C[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000423486342 387333679 /nfs/dbraw/zinc/33/36/79/387333679.db2.gz WJCILUSUNVTIKH-HIFRSBDPSA-N 1 3 247.386 2.184 20 0 BEADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cncs1 ZINC000423489032 387333967 /nfs/dbraw/zinc/33/39/67/387333967.db2.gz VTBGBZGUUKUFDM-GHMZBOCLSA-N 1 3 239.388 2.326 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)C1CC1 ZINC000643468333 387419292 /nfs/dbraw/zinc/41/92/92/387419292.db2.gz QLXGMZYGROJWIK-DMDPSCGWSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)OC1CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000643475976 387514134 /nfs/dbraw/zinc/51/41/34/387514134.db2.gz ZFPITISCIWAIKN-MRFVTOPCSA-N 1 3 242.407 2.438 20 0 BEADHO CO[C@H](C)[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000355069919 387473784 /nfs/dbraw/zinc/47/37/84/387473784.db2.gz SIWBFYJHEQPLFR-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1NCC[NH2+]C1CC1 ZINC000643507790 387479486 /nfs/dbraw/zinc/47/94/86/387479486.db2.gz PPVRZWCQUAPLFP-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO FC(F)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355148935 387486675 /nfs/dbraw/zinc/48/66/75/387486675.db2.gz JMOWRYRDJZXRSA-GHMZBOCLSA-N 1 3 244.329 2.248 20 0 BEADHO FC(F)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355148935 387486682 /nfs/dbraw/zinc/48/66/82/387486682.db2.gz JMOWRYRDJZXRSA-GHMZBOCLSA-N 1 3 244.329 2.248 20 0 BEADHO N[C@@H](C[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000422552950 387598368 /nfs/dbraw/zinc/59/83/68/387598368.db2.gz IUGNXSYNEHAHPD-HNNXBMFYSA-N 1 3 230.355 2.391 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551351 387598754 /nfs/dbraw/zinc/59/87/54/387598754.db2.gz DKJLINGCUANIPC-QWRGUYRKSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@@H](CN)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643514878 387599505 /nfs/dbraw/zinc/59/95/05/387599505.db2.gz AAMLCFNWNFZBEO-WFASDCNBSA-N 1 3 232.371 2.118 20 0 BEADHO c1cc(C[NH2+]C2CCNCC2)cc(C2CC2)c1 ZINC000422551559 387599611 /nfs/dbraw/zinc/59/96/11/387599611.db2.gz FCYLXJVLNVXSGQ-UHFFFAOYSA-N 1 3 230.355 2.406 20 0 BEADHO Cc1cc(C)cc([C@H](C)NCCC[NH3+])c1 ZINC000148358479 387599838 /nfs/dbraw/zinc/59/98/38/387599838.db2.gz QDLJBDHEFPDHKP-LBPRGKRZSA-N 1 3 206.333 2.303 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643514876 387600062 /nfs/dbraw/zinc/60/00/62/387600062.db2.gz AAMLCFNWNFZBEO-IUODEOHRSA-N 1 3 232.371 2.118 20 0 BEADHO COCCCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422640733 387610780 /nfs/dbraw/zinc/61/07/80/387610780.db2.gz WAARMPRBJJSJSQ-MCIONIFRSA-N 1 3 242.407 2.108 20 0 BEADHO COCCCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422640733 387610783 /nfs/dbraw/zinc/61/07/83/387610783.db2.gz WAARMPRBJJSJSQ-MCIONIFRSA-N 1 3 242.407 2.108 20 0 BEADHO [NH3+][C@@H](CN[C@@H]1CCCc2ccccc2C1)C1CC1 ZINC000643516686 387629345 /nfs/dbraw/zinc/62/93/45/387629345.db2.gz JWHRNYZQAIAEFY-CVEARBPZSA-N 1 3 244.382 2.261 20 0 BEADHO COc1cccc([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422714673 387629277 /nfs/dbraw/zinc/62/92/77/387629277.db2.gz RIQDJJREDJPIRV-SRVKXCTJSA-N 1 3 236.359 2.472 20 0 BEADHO Cc1ccc(C(C)(C)CN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422702879 387617858 /nfs/dbraw/zinc/61/78/58/387617858.db2.gz GGBWOCIQPDGQKZ-CYBMUJFWSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C2CNC2)cc1 ZINC000422702879 387617864 /nfs/dbraw/zinc/61/78/64/387617864.db2.gz GGBWOCIQPDGQKZ-CYBMUJFWSA-N 1 3 246.398 2.470 20 0 BEADHO C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CNC1 ZINC000422703570 387619231 /nfs/dbraw/zinc/61/92/31/387619231.db2.gz NJGFLXOERIIELJ-SRRSOLGSSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccsc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422709537 387622296 /nfs/dbraw/zinc/62/22/96/387622296.db2.gz ZJARYFMHUIMOPB-NXEZZACHSA-N 1 3 212.362 2.272 20 0 BEADHO C[C@@H](NCCCC[NH3+])c1cc(F)ccc1F ZINC000037714998 387565984 /nfs/dbraw/zinc/56/59/84/387565984.db2.gz CWXKSVIQVNELPF-SECBINFHSA-N 1 3 228.286 2.354 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCO[C@H]1CCCC[C@@H]1C ZINC000422716308 387627802 /nfs/dbraw/zinc/62/78/02/387627802.db2.gz UGFHHGCJQSPTBO-XUXIUFHCSA-N 1 3 242.407 2.297 20 0 BEADHO FCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000377153638 387694698 /nfs/dbraw/zinc/69/46/98/387694698.db2.gz JZISHNCEROWBPW-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO FCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000377153638 387694701 /nfs/dbraw/zinc/69/47/01/387694701.db2.gz JZISHNCEROWBPW-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO FCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000377153638 387694705 /nfs/dbraw/zinc/69/47/05/387694705.db2.gz JZISHNCEROWBPW-ZDUSSCGKSA-N 1 3 228.355 2.154 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NCCN(C)c1ccccc1 ZINC000430588463 387630887 /nfs/dbraw/zinc/63/08/87/387630887.db2.gz ZHRDUXWHCJQFBB-OAHLLOKOSA-N 1 3 249.402 2.086 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCCC[C@H]1C)C1CNC1 ZINC000422726156 387634932 /nfs/dbraw/zinc/63/49/32/387634932.db2.gz DGOJYWOXTRTAMO-AGIUHOORSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCCC[C@H]1C)C1CNC1 ZINC000422726158 387636254 /nfs/dbraw/zinc/63/62/54/387636254.db2.gz DGOJYWOXTRTAMO-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(F)cc1 ZINC000422726838 387636467 /nfs/dbraw/zinc/63/64/67/387636467.db2.gz GBRLFURZZWMGFV-VHSXEESVSA-N 1 3 210.296 2.041 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1ccccc1 ZINC000422732238 387641610 /nfs/dbraw/zinc/64/16/10/387641610.db2.gz NOYPWQICDQRDED-KBPBESRZSA-N 1 3 218.344 2.089 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C1CNC1 ZINC000422737339 387645497 /nfs/dbraw/zinc/64/54/97/387645497.db2.gz XJVBIDQZJJVKAO-BLFANLJRSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](NCC(C)(C)c1cccs1)C1C[NH2+]C1 ZINC000422738543 387645696 /nfs/dbraw/zinc/64/56/96/387645696.db2.gz JSCOANHSRUPZTM-JTQLQIEISA-N 1 3 238.400 2.223 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)c1cccs1)C1CNC1 ZINC000422738543 387645701 /nfs/dbraw/zinc/64/57/01/387645701.db2.gz JSCOANHSRUPZTM-JTQLQIEISA-N 1 3 238.400 2.223 20 0 BEADHO COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422737590 387646552 /nfs/dbraw/zinc/64/65/52/387646552.db2.gz ZXKWVJGEFIKYNL-CABCVRRESA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccc(F)cc1 ZINC000422745700 387648045 /nfs/dbraw/zinc/64/80/45/387648045.db2.gz VMTWEMUZNAIOBG-MNOVXSKESA-N 1 3 236.334 2.127 20 0 BEADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000422745700 387648047 /nfs/dbraw/zinc/64/80/47/387648047.db2.gz VMTWEMUZNAIOBG-MNOVXSKESA-N 1 3 236.334 2.127 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccccc1 ZINC000422741593 387648337 /nfs/dbraw/zinc/64/83/37/387648337.db2.gz DWPGQKBOWWKJJZ-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccccc1 ZINC000422741593 387648341 /nfs/dbraw/zinc/64/83/41/387648341.db2.gz DWPGQKBOWWKJJZ-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO CCCC[C@H](CC)C[NH2+][C@@H](C)C1CNC1 ZINC000422741443 387648772 /nfs/dbraw/zinc/64/87/72/387648772.db2.gz DRHQUVFSAKHYDU-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccccc1 ZINC000422741591 387648975 /nfs/dbraw/zinc/64/89/75/387648975.db2.gz DWPGQKBOWWKJJZ-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccccc1 ZINC000422741591 387648980 /nfs/dbraw/zinc/64/89/80/387648980.db2.gz DWPGQKBOWWKJJZ-DZGCQCFKSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@@H](NCCc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000422752222 387656276 /nfs/dbraw/zinc/65/62/76/387656276.db2.gz BAGUWRHZEBMRIM-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO C[C@@H]([NH2+]CCc1cccc(Cl)c1)C1CNC1 ZINC000422752222 387656279 /nfs/dbraw/zinc/65/62/79/387656279.db2.gz BAGUWRHZEBMRIM-SNVBAGLBSA-N 1 3 238.762 2.080 20 0 BEADHO c1csc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422756112 387658151 /nfs/dbraw/zinc/65/81/51/387658151.db2.gz LGYZDPPXQLQBOO-FOSCPWQOSA-N 1 3 236.384 2.163 20 0 BEADHO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CNC1 ZINC000422756980 387661655 /nfs/dbraw/zinc/66/16/55/387661655.db2.gz CTASOMUVLPXCHF-MXWKQRLJSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccccc1 ZINC000422761198 387663477 /nfs/dbraw/zinc/66/34/77/387663477.db2.gz QWEODVWJDSIJAE-HIFRSBDPSA-N 1 3 248.370 2.043 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCc2ccccc2C1 ZINC000422761420 387663925 /nfs/dbraw/zinc/66/39/25/387663925.db2.gz RHLBSTJGDFSORN-RBSFLKMASA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCC1(c2cccc(F)c2)CC1 ZINC000422765732 387664994 /nfs/dbraw/zinc/66/49/94/387664994.db2.gz LAQWPUKYGSZISK-ZIAGYGMSSA-N 1 3 248.345 2.327 20 0 BEADHO Cc1ccc([C@@H](C)C[NH2+][C@H](C)C2CNC2)cc1 ZINC000422773346 387669977 /nfs/dbraw/zinc/66/99/77/387669977.db2.gz YKPQAGRMKXDCFB-QWHCGFSZSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1ccc([C@@H](C)CN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422773346 387669979 /nfs/dbraw/zinc/66/99/79/387669979.db2.gz YKPQAGRMKXDCFB-QWHCGFSZSA-N 1 3 232.371 2.296 20 0 BEADHO CC(C)[C@@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422773172 387670252 /nfs/dbraw/zinc/67/02/52/387670252.db2.gz TWAVFVOTNYPPMK-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H](COC)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125971575 387670312 /nfs/dbraw/zinc/67/03/12/387670312.db2.gz MIOZSOGTWIPLKV-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H](COC)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125971575 387670313 /nfs/dbraw/zinc/67/03/13/387670313.db2.gz MIOZSOGTWIPLKV-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H](COC)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125971575 387670319 /nfs/dbraw/zinc/67/03/19/387670319.db2.gz MIOZSOGTWIPLKV-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000422771206 387670461 /nfs/dbraw/zinc/67/04/61/387670461.db2.gz XEHNNMNWXLPJCO-KGLIPLIRSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCN(C)c1ccccc1 ZINC000422771206 387670465 /nfs/dbraw/zinc/67/04/65/387670465.db2.gz XEHNNMNWXLPJCO-KGLIPLIRSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2cccnc21 ZINC000422781216 387681557 /nfs/dbraw/zinc/68/15/57/387681557.db2.gz LDUSBSMSUQJFKN-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCOC1CCCCC1 ZINC000422786931 387687012 /nfs/dbraw/zinc/68/70/12/387687012.db2.gz PHUIBKAGDFKOKW-STQMWFEESA-N 1 3 242.407 2.441 20 0 BEADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422743328 387688914 /nfs/dbraw/zinc/68/89/14/387688914.db2.gz TYGDYDWCDJZCDO-YRGRVCCFSA-N 1 3 236.359 2.090 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422790317 387692853 /nfs/dbraw/zinc/69/28/53/387692853.db2.gz XOWPPFYMDQJVOE-ZIAGYGMSSA-N 1 3 242.407 2.027 20 0 BEADHO CCc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422790579 387693020 /nfs/dbraw/zinc/69/30/20/387693020.db2.gz VBGKFUMGDQOELI-NWDGAFQWSA-N 1 3 220.360 2.464 20 0 BEADHO Cc1cc(F)ccc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422867939 387748419 /nfs/dbraw/zinc/74/84/19/387748419.db2.gz TWSMJRNFZJBVBF-VXGBXAGGSA-N 1 3 238.350 2.392 20 0 BEADHO Cc1cc(F)ccc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000422867939 387748423 /nfs/dbraw/zinc/74/84/23/387748423.db2.gz TWSMJRNFZJBVBF-VXGBXAGGSA-N 1 3 238.350 2.392 20 0 BEADHO C[NH+]1CCC(N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000128575562 387749953 /nfs/dbraw/zinc/74/99/53/387749953.db2.gz BFUFXEOXHDCMMA-OAHLLOKOSA-N 1 3 248.345 2.497 20 0 BEADHO CO[C@H](C)[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000128592395 387750839 /nfs/dbraw/zinc/75/08/39/387750839.db2.gz SBKDAWBAJXUAMZ-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000643525768 387751854 /nfs/dbraw/zinc/75/18/54/387751854.db2.gz FBBSEPCXVSRNCL-IUCAKERBSA-N 1 3 212.724 2.338 20 0 BEADHO CO[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C(C)(C)C ZINC000422805389 387704493 /nfs/dbraw/zinc/70/44/93/387704493.db2.gz GPGPHUBJWJUNFY-FRRDWIJNSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccccc2)CC1 ZINC000422813784 387711164 /nfs/dbraw/zinc/71/11/64/387711164.db2.gz SJNODHNSEFVEQE-CHWSQXEVSA-N 1 3 232.371 2.434 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccccc2)CC1 ZINC000422813784 387711170 /nfs/dbraw/zinc/71/11/70/387711170.db2.gz SJNODHNSEFVEQE-CHWSQXEVSA-N 1 3 232.371 2.434 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N ZINC000422812442 387712121 /nfs/dbraw/zinc/71/21/21/387712121.db2.gz WGEUAHVWEAPNGA-VWYCJHECSA-N 1 3 218.410 2.234 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CC1 ZINC000422816191 387715233 /nfs/dbraw/zinc/71/52/33/387715233.db2.gz ZIENQSPDUCPRSK-DZGCQCFKSA-N 1 3 244.382 2.435 20 0 BEADHO CC(C)[C@H](CN[C@H](C)C1C[NH2+]C1)c1cccnc1 ZINC000422829112 387722546 /nfs/dbraw/zinc/72/25/46/387722546.db2.gz GYZLOLOSAIQBQD-DOMZBBRYSA-N 1 3 247.386 2.019 20 0 BEADHO CC(C)[C@H](C[NH2+][C@H](C)C1CNC1)c1cccnc1 ZINC000422829112 387722552 /nfs/dbraw/zinc/72/25/52/387722552.db2.gz GYZLOLOSAIQBQD-DOMZBBRYSA-N 1 3 247.386 2.019 20 0 BEADHO C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CCCNCC2)C1 ZINC000643522877 387723997 /nfs/dbraw/zinc/72/39/97/387723997.db2.gz UFIVGUJALDAIKB-HZSPNIEDSA-N 1 3 222.376 2.297 20 0 BEADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCCNCC2)C1 ZINC000643522880 387725832 /nfs/dbraw/zinc/72/58/32/387725832.db2.gz UFIVGUJALDAIKB-RDBSUJKOSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](NCC(C)(C)c1ccccc1)C1C[NH2+]C1 ZINC000422831955 387726926 /nfs/dbraw/zinc/72/69/26/387726926.db2.gz KKKQHMGGZMBLFA-LBPRGKRZSA-N 1 3 232.371 2.162 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)c1ccccc1)C1CNC1 ZINC000422831955 387726930 /nfs/dbraw/zinc/72/69/30/387726930.db2.gz KKKQHMGGZMBLFA-LBPRGKRZSA-N 1 3 232.371 2.162 20 0 BEADHO Cc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422844215 387731457 /nfs/dbraw/zinc/73/14/57/387731457.db2.gz LFGVXMMWKOZAJB-XYPWUTKMSA-N 1 3 244.382 2.410 20 0 BEADHO C(C1CCC1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000441453698 387761926 /nfs/dbraw/zinc/76/19/26/387761926.db2.gz YGTSRUVTCKGYCU-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CCC1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000441453698 387761930 /nfs/dbraw/zinc/76/19/30/387761930.db2.gz YGTSRUVTCKGYCU-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000441453698 387761933 /nfs/dbraw/zinc/76/19/33/387761933.db2.gz YGTSRUVTCKGYCU-AWEZNQCLSA-N 1 3 222.376 2.204 20 0 BEADHO Cc1cccnc1[C@@H]1CCC[C@@H](NC[C@@H](C)[NH3+])C1 ZINC000643527107 387763498 /nfs/dbraw/zinc/76/34/98/387763498.db2.gz JWWLTLMQPKXCKG-MGPQQGTHSA-N 1 3 247.386 2.353 20 0 BEADHO Cc1cccnc1[C@@H]1CCC[C@H](NC[C@H](C)[NH3+])C1 ZINC000643527109 387764134 /nfs/dbraw/zinc/76/41/34/387764134.db2.gz JWWLTLMQPKXCKG-MJBXVCDLSA-N 1 3 247.386 2.353 20 0 BEADHO C[C@@H]([NH2+]CCC1=CCCCC1)C1CNC1 ZINC000422961626 387811918 /nfs/dbraw/zinc/81/19/18/387811918.db2.gz COJSLXUPBHGAKP-LLVKDONJSA-N 1 3 208.349 2.074 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccccc1F ZINC000643528325 387767062 /nfs/dbraw/zinc/76/70/62/387767062.db2.gz HAUVSKVRIFENCT-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC12CC2 ZINC000527877282 387767876 /nfs/dbraw/zinc/76/78/76/387767876.db2.gz UAZNILIGSXCKSY-YPMHNXCESA-N 1 3 220.360 2.027 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422910693 387768677 /nfs/dbraw/zinc/76/86/77/387768677.db2.gz RJOOOBGUSGJSIO-LZWOXQAQSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC000422912918 387770761 /nfs/dbraw/zinc/77/07/61/387770761.db2.gz XJEXNRZPAFNZBK-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCc1cccc(F)c1 ZINC000422912918 387770766 /nfs/dbraw/zinc/77/07/66/387770766.db2.gz XJEXNRZPAFNZBK-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO c1ccc(C[C@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000422912029 387770987 /nfs/dbraw/zinc/77/09/87/387770987.db2.gz MERZZCDGCOQOHV-INIZCTEOSA-N 1 3 244.382 2.349 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000643528086 387774680 /nfs/dbraw/zinc/77/46/80/387774680.db2.gz YWYCITWUAQPXDN-UZGDPCLZSA-N 1 3 218.344 2.115 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1C[C@H]1C1CCCCC1 ZINC000422919660 387775322 /nfs/dbraw/zinc/77/53/22/387775322.db2.gz KTGHUBJLSMKSGY-CRWXNKLISA-N 1 3 222.376 2.425 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C1CCCCC1 ZINC000422919662 387775365 /nfs/dbraw/zinc/77/53/65/387775365.db2.gz KTGHUBJLSMKSGY-RFQIPJPRSA-N 1 3 222.376 2.425 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422920240 387775711 /nfs/dbraw/zinc/77/57/11/387775711.db2.gz MAIUUYBMRLOAAM-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000422926611 387779346 /nfs/dbraw/zinc/77/93/46/387779346.db2.gz XBQPMZCSVZZFBH-FZKCQIBNSA-N 1 3 244.382 2.335 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]1Cc1ccccc1 ZINC000422926611 387779350 /nfs/dbraw/zinc/77/93/50/387779350.db2.gz XBQPMZCSVZZFBH-FZKCQIBNSA-N 1 3 244.382 2.335 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000422926660 387779605 /nfs/dbraw/zinc/77/96/05/387779605.db2.gz XGPPJCQSYMDSDG-DDHJSBNISA-N 1 3 232.371 2.333 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000422926660 387779607 /nfs/dbraw/zinc/77/96/07/387779607.db2.gz XGPPJCQSYMDSDG-DDHJSBNISA-N 1 3 232.371 2.333 20 0 BEADHO C[C@@H](NC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000643477781 387780965 /nfs/dbraw/zinc/78/09/65/387780965.db2.gz SPPVTESGEFCQHW-BYNQJWBRSA-N 1 3 240.391 2.063 20 0 BEADHO CCCC1(C[NH2+][C@@H](C)C2CNC2)CCC1 ZINC000422932055 387781906 /nfs/dbraw/zinc/78/19/06/387781906.db2.gz YOXYXJQUAKJVQZ-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CCC[NH3+])NCc1nc(C2CC2)cs1 ZINC000422935738 387783204 /nfs/dbraw/zinc/78/32/04/387783204.db2.gz HTHDKLFTHPVPIC-SECBINFHSA-N 1 3 239.388 2.238 20 0 BEADHO Cc1cc(C)cc(OCC[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422944351 387785148 /nfs/dbraw/zinc/78/51/48/387785148.db2.gz MBRHIDDFTPBZSP-CABCVRRESA-N 1 3 248.370 2.152 20 0 BEADHO C[C@@H](CC[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245563 387794614 /nfs/dbraw/zinc/79/46/14/387794614.db2.gz KRYJPHUVKDNLFB-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](CC[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245563 387794616 /nfs/dbraw/zinc/79/46/16/387794616.db2.gz KRYJPHUVKDNLFB-UONOGXRCSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccccc1 ZINC000422986727 387796130 /nfs/dbraw/zinc/79/61/30/387796130.db2.gz HFMFHXXJCVJXHV-WOPDTQHZSA-N 1 3 206.333 2.463 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000422988957 387798557 /nfs/dbraw/zinc/79/85/57/387798557.db2.gz JZXMIVSCSSUJLC-OTJKEOIZSA-N 1 3 242.366 2.042 20 0 BEADHO Cc1cccc(C)c1OCC[NH2+][C@H]1CCC[C@@H]1N ZINC000422948668 387807282 /nfs/dbraw/zinc/80/72/82/387807282.db2.gz RVFCMYDZOWRZOH-KBPBESRZSA-N 1 3 248.370 2.152 20 0 BEADHO COc1cc(C)cc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423001629 387807330 /nfs/dbraw/zinc/80/73/30/387807330.db2.gz IFLVWLNMDFMNES-VXGBXAGGSA-N 1 3 236.359 2.219 20 0 BEADHO CC[C@@H](NC[C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422954596 387808897 /nfs/dbraw/zinc/80/88/97/387808897.db2.gz JGGUCRXLEQXDSP-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H]1CCCN1 ZINC000422954596 387808901 /nfs/dbraw/zinc/80/89/01/387808901.db2.gz JGGUCRXLEQXDSP-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1nc(C)c(CCN[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000422885576 387760881 /nfs/dbraw/zinc/76/08/81/387760881.db2.gz HAWHDSGJYLVQTN-IUCAKERBSA-N 1 3 241.404 2.018 20 0 BEADHO Cc1nc(C)c(CC[NH2+][C@@H](C)C[C@H](C)N)s1 ZINC000422885576 387760884 /nfs/dbraw/zinc/76/08/84/387760884.db2.gz HAWHDSGJYLVQTN-IUCAKERBSA-N 1 3 241.404 2.018 20 0 BEADHO C[C@H]([NH3+])CN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000643526734 387761433 /nfs/dbraw/zinc/76/14/33/387761433.db2.gz FQEZWUVPXFOSJF-UBHSHLNASA-N 1 3 218.344 2.260 20 0 BEADHO C(C1CCC1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000441453700 387761555 /nfs/dbraw/zinc/76/15/55/387761555.db2.gz YGTSRUVTCKGYCU-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CCC1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000441453700 387761562 /nfs/dbraw/zinc/76/15/62/387761562.db2.gz YGTSRUVTCKGYCU-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C(C1CCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000441453700 387761565 /nfs/dbraw/zinc/76/15/65/387761565.db2.gz YGTSRUVTCKGYCU-CQSZACIVSA-N 1 3 222.376 2.204 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422888754 387761516 /nfs/dbraw/zinc/76/15/16/387761516.db2.gz NTMLAPCPDYEJTE-AVGNSLFASA-N 1 3 248.370 2.268 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCOc2ccccc21 ZINC000422888754 387761521 /nfs/dbraw/zinc/76/15/21/387761521.db2.gz NTMLAPCPDYEJTE-AVGNSLFASA-N 1 3 248.370 2.268 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C2CC2)CCC1 ZINC000423003718 387827345 /nfs/dbraw/zinc/82/73/45/387827345.db2.gz NDWROQKPMRSJLP-PBWFPOADSA-N 1 3 234.387 2.439 20 0 BEADHO Cc1cc(C)c(CCN[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423006764 387829218 /nfs/dbraw/zinc/82/92/18/387829218.db2.gz WHKSAVAFSLFWET-CQSZACIVSA-N 1 3 246.398 2.352 20 0 BEADHO Cc1cc(C)c(CC[NH2+][C@H](C)C2CNC2)c(C)c1 ZINC000423006764 387829222 /nfs/dbraw/zinc/82/92/22/387829222.db2.gz WHKSAVAFSLFWET-CQSZACIVSA-N 1 3 246.398 2.352 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423011494 387833612 /nfs/dbraw/zinc/83/36/12/387833612.db2.gz IXEBCGRZMQVUEW-DKNRTOFZSA-N 1 3 222.376 2.284 20 0 BEADHO CC(C)CSCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000423009562 387834135 /nfs/dbraw/zinc/83/41/35/387834135.db2.gz DJALZZCDZUMZMM-OLZOCXBDSA-N 1 3 244.448 2.353 20 0 BEADHO C[C@@H](CCCC[NH3+])NCc1ccc(Cl)cn1 ZINC000423011618 387834257 /nfs/dbraw/zinc/83/42/57/387834257.db2.gz BDONVRVZPUOBKF-JTQLQIEISA-N 1 3 241.766 2.342 20 0 BEADHO CC(C)CSCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423012169 387836478 /nfs/dbraw/zinc/83/64/78/387836478.db2.gz KEPWUQMNBSBKCT-MNOVXSKESA-N 1 3 218.410 2.091 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](c1cccnc1)C1CC1 ZINC000423012000 387836883 /nfs/dbraw/zinc/83/68/83/387836883.db2.gz JXHZEORHWGZIQK-WDMOLILDSA-N 1 3 233.359 2.248 20 0 BEADHO Cc1ccsc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000423015008 387838457 /nfs/dbraw/zinc/83/84/57/387838457.db2.gz JVAZFKSSVDVEKB-RYUDHWBXSA-N 1 3 238.400 2.316 20 0 BEADHO Cc1ccsc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423014951 387838610 /nfs/dbraw/zinc/83/86/10/387838610.db2.gz JPAIKTYFRSYIRM-QWRGUYRKSA-N 1 3 226.389 2.314 20 0 BEADHO Cc1ccsc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000423014951 387838615 /nfs/dbraw/zinc/83/86/15/387838615.db2.gz JPAIKTYFRSYIRM-QWRGUYRKSA-N 1 3 226.389 2.314 20 0 BEADHO Cc1cnccc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423016236 387839168 /nfs/dbraw/zinc/83/91/68/387839168.db2.gz SKRYVDXFQVOXOG-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1[C@@H]1CCc2ccc(F)cc21 ZINC000442779848 387839367 /nfs/dbraw/zinc/83/93/67/387839367.db2.gz JQVCJFMBVCIOKL-UEKVPHQBSA-N 1 3 248.345 2.482 20 0 BEADHO Cc1cnccc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423016237 387839701 /nfs/dbraw/zinc/83/97/01/387839701.db2.gz SKRYVDXFQVOXOG-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1ccsc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423014949 387839710 /nfs/dbraw/zinc/83/97/10/387839710.db2.gz JPAIKTYFRSYIRM-GHMZBOCLSA-N 1 3 226.389 2.314 20 0 BEADHO Cc1ccsc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000423014949 387839714 /nfs/dbraw/zinc/83/97/14/387839714.db2.gz JPAIKTYFRSYIRM-GHMZBOCLSA-N 1 3 226.389 2.314 20 0 BEADHO CS[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)C(C)(C)C ZINC000423027837 387844788 /nfs/dbraw/zinc/84/47/88/387844788.db2.gz FDHIDYMNKJBXRC-SDDRHHMPSA-N 1 3 244.448 2.352 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000423029073 387847294 /nfs/dbraw/zinc/84/72/94/387847294.db2.gz HPCLHZDZBVWAPZ-FRRDWIJNSA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@H](NCC(C)(C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423037872 387851753 /nfs/dbraw/zinc/85/17/53/387851753.db2.gz NIQMEBUDOHJYRF-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@H]([NH2+]CC(C)(C)CCOC)[C@@H]1CCCN1 ZINC000423037872 387851759 /nfs/dbraw/zinc/85/17/59/387851759.db2.gz NIQMEBUDOHJYRF-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1CNC1 ZINC000423040755 387853340 /nfs/dbraw/zinc/85/33/40/387853340.db2.gz VCBOQZMLLBIDSY-BLFANLJRSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C1CNC1 ZINC000423040758 387853422 /nfs/dbraw/zinc/85/34/22/387853422.db2.gz VCBOQZMLLBIDSY-XZUYRWCXSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1(C)C ZINC000423044093 387854835 /nfs/dbraw/zinc/85/48/35/387854835.db2.gz ATBZJUWYILMDHJ-QNWHQSFQSA-N 1 3 240.391 2.048 20 0 BEADHO CC(C)O[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1(C)C ZINC000423044094 387854883 /nfs/dbraw/zinc/85/48/83/387854883.db2.gz ATBZJUWYILMDHJ-ZDEQEGDKSA-N 1 3 240.391 2.048 20 0 BEADHO COCC[C@@H](N[C@@H](C)CCC[NH3+])c1ccco1 ZINC000423041777 387855634 /nfs/dbraw/zinc/85/56/34/387855634.db2.gz JTAKCNVTJKNPEH-NWDGAFQWSA-N 1 3 240.347 2.074 20 0 BEADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)N)CCO1 ZINC000423046270 387858310 /nfs/dbraw/zinc/85/83/10/387858310.db2.gz TUQKOTXIRCUDFT-XJFOESAGSA-N 1 3 242.407 2.296 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423049924 387859289 /nfs/dbraw/zinc/85/92/89/387859289.db2.gz KIIRTQPLWKBNDS-OLZOCXBDSA-N 1 3 244.448 2.497 20 0 BEADHO Cc1ccc(CCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000193616137 387859992 /nfs/dbraw/zinc/85/99/92/387859992.db2.gz XIJNHZXHAJFTHR-IYBDPMFKSA-N 1 3 244.382 2.031 20 0 BEADHO Cc1ccc(CCN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193616137 387859996 /nfs/dbraw/zinc/85/99/96/387859996.db2.gz XIJNHZXHAJFTHR-IYBDPMFKSA-N 1 3 244.382 2.031 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423059054 387865216 /nfs/dbraw/zinc/86/52/16/387865216.db2.gz KVPNHXQPODWRSN-RWMBFGLXSA-N 1 3 242.407 2.011 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423059056 387865293 /nfs/dbraw/zinc/86/52/93/387865293.db2.gz KVPNHXQPODWRSN-YNEHKIRRSA-N 1 3 242.407 2.011 20 0 BEADHO Cc1cncc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000643535842 387866632 /nfs/dbraw/zinc/86/66/32/387866632.db2.gz PJMPRACDDYCWRD-TZMCWYRMSA-N 1 3 245.370 2.183 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@@H](OC)C1)[C@@H]1CCCC[NH2+]1 ZINC000423068314 387869337 /nfs/dbraw/zinc/86/93/37/387869337.db2.gz JRDXGOZVASKHRR-MQYQWHSLSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000423066765 387869459 /nfs/dbraw/zinc/86/94/59/387869459.db2.gz XTVSSYVIXWTZNR-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CCC(O)(CC)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423067096 387870743 /nfs/dbraw/zinc/87/07/43/387870743.db2.gz GHZAGFNQDFNGIQ-QWHCGFSZSA-N 1 3 242.407 2.035 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423071102 387871416 /nfs/dbraw/zinc/87/14/16/387871416.db2.gz OANSKVKGXCEOGC-GIFSMMMISA-N 1 3 234.343 2.144 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCC(F)(F)F ZINC000422962463 387813831 /nfs/dbraw/zinc/81/38/31/387813831.db2.gz CORPZFHWZQCSLH-SFYZADRCSA-N 1 3 212.259 2.044 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000422968230 387817033 /nfs/dbraw/zinc/81/70/33/387817033.db2.gz QSUULEAQMAIMSV-UWVGGRQHSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc2[nH]ccc2c1 ZINC000423109803 387893747 /nfs/dbraw/zinc/89/37/47/387893747.db2.gz UZBWRDWZCJNXPJ-NEPJUHHUSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423109803 387893752 /nfs/dbraw/zinc/89/37/52/387893752.db2.gz UZBWRDWZCJNXPJ-NEPJUHHUSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000423113345 387894981 /nfs/dbraw/zinc/89/49/81/387894981.db2.gz UDWKQGYHGQOPCP-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC1(C)C ZINC000423113347 387895078 /nfs/dbraw/zinc/89/50/78/387895078.db2.gz UDWKQGYHGQOPCP-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC1(C)C ZINC000423113344 387895139 /nfs/dbraw/zinc/89/51/39/387895139.db2.gz UDWKQGYHGQOPCP-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO CCC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423076294 387876880 /nfs/dbraw/zinc/87/68/80/387876880.db2.gz QTMUIJWYCQLTQO-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]([NH2+]CC1(C)CCC(C)CC1)C1CNC1 ZINC000423082572 387878528 /nfs/dbraw/zinc/87/85/28/387878528.db2.gz DLTVAHQCUCZIBV-MBHSVXNSSA-N 1 3 224.392 2.400 20 0 BEADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423116080 387898484 /nfs/dbraw/zinc/89/84/84/387898484.db2.gz ZKTSEQGCBFSHDM-ROHXPCBUSA-N 1 3 244.329 2.150 20 0 BEADHO CC[C@H]([NH3+])CN[C@H]1CCCc2ccccc2C1 ZINC000643540807 387883253 /nfs/dbraw/zinc/88/32/53/387883253.db2.gz VIZJOEIYSXOWKU-GJZGRUSLSA-N 1 3 232.371 2.261 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1CCCc2ccccc2C1 ZINC000643540809 387883748 /nfs/dbraw/zinc/88/37/48/387883748.db2.gz VIZJOEIYSXOWKU-LSDHHAIUSA-N 1 3 232.371 2.261 20 0 BEADHO COC1CCC(C)(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000423089854 387883908 /nfs/dbraw/zinc/88/39/08/387883908.db2.gz WDTFONJYSSFSDF-MRFVTOPCSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423093658 387885281 /nfs/dbraw/zinc/88/52/81/387885281.db2.gz IIYFSFTZUGKOFW-UTUOFQBUSA-N 1 3 246.345 2.400 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCCc1ccccc1F ZINC000423097889 387886590 /nfs/dbraw/zinc/88/65/90/387886590.db2.gz RIUUFAXDKIRNCA-UONOGXRCSA-N 1 3 236.334 2.228 20 0 BEADHO Cc1cccc(CCC[NH2+][C@@H](C)C[C@H](C)N)n1 ZINC000423098469 387887697 /nfs/dbraw/zinc/88/76/97/387887697.db2.gz CTWFEXJYUYMZJC-AAEUAGOBSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccc(CCCN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423098469 387887702 /nfs/dbraw/zinc/88/77/02/387887702.db2.gz CTWFEXJYUYMZJC-AAEUAGOBSA-N 1 3 235.375 2.038 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000423101933 387888830 /nfs/dbraw/zinc/88/88/30/387888830.db2.gz WOJZJTZIKKLENX-MQYQWHSLSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H](NC[C@H]1CCCSC1)[C@H]1CCCC[NH2+]1 ZINC000423119053 387900261 /nfs/dbraw/zinc/90/02/61/387900261.db2.gz CXYXMIGLJNMLMB-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423118019 387901295 /nfs/dbraw/zinc/90/12/95/387901295.db2.gz YHOFMQQFMPKYHH-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423125152 387902265 /nfs/dbraw/zinc/90/22/65/387902265.db2.gz NBIMOAVRAJJYFT-RYUDHWBXSA-N 1 3 228.355 2.376 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@H](C)C[C@@H](C)N ZINC000423122566 387903349 /nfs/dbraw/zinc/90/33/49/387903349.db2.gz JZTCLLIKSXBSCB-VXGBXAGGSA-N 1 3 230.396 2.155 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000423126547 387904579 /nfs/dbraw/zinc/90/45/79/387904579.db2.gz AVTYFZJRPLYGSL-BYNSBNAKSA-N 1 3 230.355 2.260 20 0 BEADHO CO[C@H](C)[C@@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423125612 387904932 /nfs/dbraw/zinc/90/49/32/387904932.db2.gz AKZUMSHHSGBLFG-SYQHCUMBSA-N 1 3 242.407 2.310 20 0 BEADHO C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C1CNC1 ZINC000423128793 387907047 /nfs/dbraw/zinc/90/70/47/387907047.db2.gz DNEJQXCKIIGDRU-OIKLOGQESA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+]C1CC(C(C)(C)C)C1)C1CNC1 ZINC000423128792 387907188 /nfs/dbraw/zinc/90/71/88/387907188.db2.gz DNEJQXCKIIGDRU-GCVQQVDUSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1cccnc1C(C)(C)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423132742 387908827 /nfs/dbraw/zinc/90/88/27/387908827.db2.gz CCTUIOLCBUFHHX-OLZOCXBDSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423132742 387908832 /nfs/dbraw/zinc/90/88/32/387908832.db2.gz CCTUIOLCBUFHHX-OLZOCXBDSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1ccoc1CNC1CCC(C[NH3+])CC1 ZINC000423131860 387909063 /nfs/dbraw/zinc/90/90/63/387909063.db2.gz OQBDNNXLCCHLMC-UHFFFAOYSA-N 1 3 222.332 2.195 20 0 BEADHO C[C@H](F)CC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423138786 387916999 /nfs/dbraw/zinc/91/69/99/387916999.db2.gz UBXXCPPYMNLVJJ-TVYUQYBPSA-N 1 3 222.307 2.469 20 0 BEADHO C[C@H](F)CC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423138788 387917127 /nfs/dbraw/zinc/91/71/27/387917127.db2.gz UBXXCPPYMNLVJJ-ZWKOPEQDSA-N 1 3 222.307 2.469 20 0 BEADHO Cc1csc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423156939 387937368 /nfs/dbraw/zinc/93/73/68/387937368.db2.gz UPFUWTXGICGBLE-NXEZZACHSA-N 1 3 212.362 2.272 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423152702 387932478 /nfs/dbraw/zinc/93/24/78/387932478.db2.gz MAOPHLLJZFBCHV-NDBYEHHHSA-N 1 3 210.365 2.010 20 0 BEADHO CC(F)(F)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423142944 387921239 /nfs/dbraw/zinc/92/12/39/387921239.db2.gz BVSJGFSMWRUCRX-UWVGGRQHSA-N 1 3 220.307 2.281 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC1(F)F ZINC000423146643 387922474 /nfs/dbraw/zinc/92/24/74/387922474.db2.gz BAGKFZYVMDYAIM-GUBZILKMSA-N 1 3 220.307 2.137 20 0 BEADHO CC1(F)CC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423146254 387923460 /nfs/dbraw/zinc/92/34/60/387923460.db2.gz OWEBHPSCFNDBDV-VWGAPNJBSA-N 1 3 240.366 2.387 20 0 BEADHO CN(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424289142 387953442 /nfs/dbraw/zinc/95/34/42/387953442.db2.gz LSWZQOMJOIWAPB-ZIAGYGMSSA-N 1 3 247.386 2.112 20 0 BEADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423170119 387954002 /nfs/dbraw/zinc/95/40/02/387954002.db2.gz XODAPFOZHRVMIF-FQUUOJAGSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423169156 387954214 /nfs/dbraw/zinc/95/42/14/387954214.db2.gz VOKSMTRCNBCBTC-CMPLNLGQSA-N 1 3 246.345 2.400 20 0 BEADHO CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423169464 387954958 /nfs/dbraw/zinc/95/49/58/387954958.db2.gz VXEJGOWTWGCOCB-CYZMBNFOSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423169464 387954960 /nfs/dbraw/zinc/95/49/60/387954960.db2.gz VXEJGOWTWGCOCB-CYZMBNFOSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)C1CNC1 ZINC000423160374 387940565 /nfs/dbraw/zinc/94/05/65/387940565.db2.gz QRYRLCZNIMGSNO-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000423160762 387941063 /nfs/dbraw/zinc/94/10/63/387941063.db2.gz HULSAPNJPIRPMA-MROQNXINSA-N 1 3 210.365 2.281 20 0 BEADHO CC[C@H](C)[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423159425 387941326 /nfs/dbraw/zinc/94/13/26/387941326.db2.gz PFKPXIIYTDIFNH-FQUUOJAGSA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)OC ZINC000423159425 387941330 /nfs/dbraw/zinc/94/13/30/387941330.db2.gz PFKPXIIYTDIFNH-FQUUOJAGSA-N 1 3 242.407 2.025 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000423160764 387942091 /nfs/dbraw/zinc/94/20/91/387942091.db2.gz HULSAPNJPIRPMA-ZDEQEGDKSA-N 1 3 210.365 2.281 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)nc1 ZINC000423162663 387943468 /nfs/dbraw/zinc/94/34/68/387943468.db2.gz LLBNHWNAADXRAW-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000423162663 387943472 /nfs/dbraw/zinc/94/34/72/387943472.db2.gz LLBNHWNAADXRAW-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)nc1 ZINC000423162660 387944089 /nfs/dbraw/zinc/94/40/89/387944089.db2.gz LLBNHWNAADXRAW-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000423162660 387944093 /nfs/dbraw/zinc/94/40/93/387944093.db2.gz LLBNHWNAADXRAW-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423164138 387945994 /nfs/dbraw/zinc/94/59/94/387945994.db2.gz OBTYGBBOWUCXMG-QWRGUYRKSA-N 1 3 232.318 2.139 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423164137 387946708 /nfs/dbraw/zinc/94/67/08/387946708.db2.gz OBTYGBBOWUCXMG-MNOVXSKESA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC1(C)C ZINC000423171930 387959671 /nfs/dbraw/zinc/95/96/71/387959671.db2.gz QNULUENBKBLQMY-XBFCOCLRSA-N 1 3 232.371 2.333 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423171535 387960078 /nfs/dbraw/zinc/96/00/78/387960078.db2.gz OVLASXNPMJYUQO-SCUASFONSA-N 1 3 234.318 2.151 20 0 BEADHO CC[C@@H](NC1CCC(OC)CC1)[C@@H]1CCC[NH2+]1 ZINC000423173120 387960838 /nfs/dbraw/zinc/96/08/38/387960838.db2.gz WZXUMBYSZFGMBA-PQAZSJQKSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@@H]([NH2+]C1CCC(OC)CC1)[C@@H]1CCCN1 ZINC000423173120 387960844 /nfs/dbraw/zinc/96/08/44/387960844.db2.gz WZXUMBYSZFGMBA-PQAZSJQKSA-N 1 3 240.391 2.064 20 0 BEADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN)cc1 ZINC000423179437 387966747 /nfs/dbraw/zinc/96/67/47/387966747.db2.gz DFHQYHJNPQYZRM-RYUDHWBXSA-N 1 3 236.359 2.126 20 0 BEADHO CC[C@H]([NH2+]CCN)c1ccc(Cl)s1 ZINC000423179218 387966867 /nfs/dbraw/zinc/96/68/67/387966867.db2.gz JFPHCEPDRDDYOA-ZETCQYMHSA-N 1 3 218.753 2.401 20 0 BEADHO CC1(C)[C@@H](NCCC[NH3+])C[C@@H]1Oc1ccccc1 ZINC000423183211 387968552 /nfs/dbraw/zinc/96/85/52/387968552.db2.gz HJIBXGYBISWHKA-KBPBESRZSA-N 1 3 248.370 2.171 20 0 BEADHO CC1(C)[C@@H]([NH2+]CCCN)C[C@@H]1Oc1ccccc1 ZINC000423183211 387968554 /nfs/dbraw/zinc/96/85/54/387968554.db2.gz HJIBXGYBISWHKA-KBPBESRZSA-N 1 3 248.370 2.171 20 0 BEADHO CCSCCN(C)C1CC[NH+](CC)CC1 ZINC000158877178 387968927 /nfs/dbraw/zinc/96/89/27/387968927.db2.gz UQOJWWHVUCJWGA-UHFFFAOYSA-N 1 3 230.421 2.156 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccncc1 ZINC000453067925 387978792 /nfs/dbraw/zinc/97/87/92/387978792.db2.gz SFIQSVDKJLMBDD-UKRRQHHQSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423194541 387979168 /nfs/dbraw/zinc/97/91/68/387979168.db2.gz WTDLUGGTFVYHKE-QNWHQSFQSA-N 1 3 234.343 2.113 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423194539 387980226 /nfs/dbraw/zinc/98/02/26/387980226.db2.gz WTDLUGGTFVYHKE-FDYHWXHSSA-N 1 3 234.343 2.113 20 0 BEADHO Cc1cc([C@H](C)NCCC[NH3+])cc(C)c1F ZINC000423188671 387972863 /nfs/dbraw/zinc/97/28/63/387972863.db2.gz MDLDDIXDBOWNMR-NSHDSACASA-N 1 3 224.323 2.442 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])CS1 ZINC000423189903 387974343 /nfs/dbraw/zinc/97/43/43/387974343.db2.gz RMHKHGUVWPVCQE-KXNHARMFSA-N 1 3 228.405 2.130 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2=CCCC2)C1 ZINC000645812120 387977388 /nfs/dbraw/zinc/97/73/88/387977388.db2.gz NLCBMWPUQYZOGV-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2=CCCC2)C1 ZINC000645812120 387977390 /nfs/dbraw/zinc/97/73/90/387977390.db2.gz NLCBMWPUQYZOGV-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCNC1 ZINC000423201704 387987292 /nfs/dbraw/zinc/98/72/92/387987292.db2.gz JCLYVLMQJXVSEH-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000423201885 387988331 /nfs/dbraw/zinc/98/83/31/387988331.db2.gz QDTTVSTUNYNGIA-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1C[C@H]1C ZINC000423205624 387991648 /nfs/dbraw/zinc/99/16/48/387991648.db2.gz FGIYLXSMNBIONZ-NDBYEHHHSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423208368 387993290 /nfs/dbraw/zinc/99/32/90/387993290.db2.gz HTRPWSVCKICAHC-YNEHKIRRSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H]1CC1(C)C ZINC000423212300 387995381 /nfs/dbraw/zinc/99/53/81/387995381.db2.gz IAOWMHFYQDPLRM-UMSGYPCISA-N 1 3 224.392 2.399 20 0 BEADHO CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000250785083 135058935 /nfs/dbraw/zinc/05/89/35/135058935.db2.gz VUYFQPMJLFLXLU-WCQYABFASA-N 1 3 212.381 2.482 20 0 BEADHO COC[C@@H](NCC1([NH3+])CCCCCC1)C(C)C ZINC000423198728 387983460 /nfs/dbraw/zinc/98/34/60/387983460.db2.gz HNHVKMQMKQTZRE-CYBMUJFWSA-N 1 3 242.407 2.299 20 0 BEADHO CCC1(CC)[C@H]([NH2+]CCCNC)[C@@H](C)[C@H]1OC ZINC000423197856 387984320 /nfs/dbraw/zinc/98/43/20/387984320.db2.gz BNROEMAKZHRYBN-JHJVBQTASA-N 1 3 242.407 2.025 20 0 BEADHO CCC1(CC)[C@H](NCCC[NH2+]C)[C@@H](C)[C@H]1OC ZINC000423197856 387984323 /nfs/dbraw/zinc/98/43/23/387984323.db2.gz BNROEMAKZHRYBN-JHJVBQTASA-N 1 3 242.407 2.025 20 0 BEADHO CCC[C@H](C)[C@H](CC)[NH2+]CCCNC ZINC000423199118 387986017 /nfs/dbraw/zinc/98/60/17/387986017.db2.gz JCLPXYJJCYKJJV-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)[C@H]1CCCC[C@H]1C ZINC000423163901 387997253 /nfs/dbraw/zinc/99/72/53/387997253.db2.gz WCBMGJYZCRCOOK-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000423216379 388000628 /nfs/dbraw/zinc/00/06/28/388000628.db2.gz RUXOWTVGXJXQJI-XJFOESAGSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCNC1 ZINC000423221095 388002334 /nfs/dbraw/zinc/00/23/34/388002334.db2.gz WFNAUWOCNFVBDM-XQQFMLRXSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](N)CC[NH2+]C1CCc2ccccc2CC1 ZINC000423222360 388002383 /nfs/dbraw/zinc/00/23/83/388002383.db2.gz ASAWZYFKTNLYNG-LBPRGKRZSA-N 1 3 232.371 2.261 20 0 BEADHO CN1CC=C(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453185699 388004499 /nfs/dbraw/zinc/00/44/99/388004499.db2.gz XVLUKHFLFNHIFB-HNNXBMFYSA-N 1 3 234.387 2.417 20 0 BEADHO C[C@H]([NH3+])CCN[C@H](c1cccnc1)C1CCC1 ZINC000423222765 388004549 /nfs/dbraw/zinc/00/45/49/388004549.db2.gz CMDYSHYOCTTXBN-FZMZJTMJSA-N 1 3 233.359 2.250 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1c2ccccc2C[C@@H]1C ZINC000423224180 388006048 /nfs/dbraw/zinc/00/60/48/388006048.db2.gz ILHVNIHLEJCRTA-COPLHBTASA-N 1 3 218.344 2.247 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCCNc2ccccc21 ZINC000423227605 388010663 /nfs/dbraw/zinc/01/06/63/388010663.db2.gz WITIOSGMARHOCT-FZMZJTMJSA-N 1 3 233.359 2.260 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424372123 387996115 /nfs/dbraw/zinc/99/61/15/387996115.db2.gz HCEWVMIPPHOBAK-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000423240996 388023752 /nfs/dbraw/zinc/02/37/52/388023752.db2.gz HPARBXCEGDGTJI-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCN[C@H]1CCC[C@@H](CC(C)C)C1 ZINC000423240005 388024505 /nfs/dbraw/zinc/02/45/05/388024505.db2.gz GRIUCJUMDHZBOH-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000423240893 388024897 /nfs/dbraw/zinc/02/48/97/388024897.db2.gz XPOYYACVPKCLKQ-WCQYABFASA-N 1 3 206.333 2.465 20 0 BEADHO C[C@H]1C[C@@H](NCCC(F)(F)F)CC[N@@H+]1C ZINC000156617421 388011436 /nfs/dbraw/zinc/01/14/36/388011436.db2.gz WIHKDPFESIUBLM-IUCAKERBSA-N 1 3 224.270 2.011 20 0 BEADHO C[C@H]1C[C@@H](NCCC(F)(F)F)CC[N@H+]1C ZINC000156617421 388011439 /nfs/dbraw/zinc/01/14/39/388011439.db2.gz WIHKDPFESIUBLM-IUCAKERBSA-N 1 3 224.270 2.011 20 0 BEADHO CC[C@@H](NCC[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000423227111 388011437 /nfs/dbraw/zinc/01/14/37/388011437.db2.gz UMTRIWFBWXTZSH-SMDDNHRTSA-N 1 3 236.359 2.473 20 0 BEADHO CCC[C@H]([NH2+]CCOCCN(C)C)C(C)(C)C ZINC000453211970 388011582 /nfs/dbraw/zinc/01/15/82/388011582.db2.gz FXYATLSMSFXOCL-ZDUSSCGKSA-N 1 3 244.423 2.369 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000423228025 388012827 /nfs/dbraw/zinc/01/28/27/388012827.db2.gz XXXVTZZCIUVHID-NWDGAFQWSA-N 1 3 210.365 2.426 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(CC)CC ZINC000423227840 388013495 /nfs/dbraw/zinc/01/34/95/388013495.db2.gz XGJAQCHGVGFXRJ-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(CC)CC ZINC000423227840 388013499 /nfs/dbraw/zinc/01/34/99/388013499.db2.gz XGJAQCHGVGFXRJ-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO C(N[C@H](C1CC1)C1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000423229408 388015430 /nfs/dbraw/zinc/01/54/30/388015430.db2.gz BFASKISWGDPVFK-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H](C1CC1)C1CCCC1)[C@@H]1CCCN1 ZINC000423229408 388015432 /nfs/dbraw/zinc/01/54/32/388015432.db2.gz BFASKISWGDPVFK-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@H]1CCCF ZINC000423234163 388017992 /nfs/dbraw/zinc/01/79/92/388017992.db2.gz LEIBLOQNITXRID-NWDGAFQWSA-N 1 3 216.344 2.104 20 0 BEADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000423234888 388018021 /nfs/dbraw/zinc/01/80/21/388018021.db2.gz MMEHYDNGAZFZOG-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423234132 388018786 /nfs/dbraw/zinc/01/87/86/388018786.db2.gz KZYXJYBAGQCFJT-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCCN2)C1 ZINC000423234132 388018792 /nfs/dbraw/zinc/01/87/92/388018792.db2.gz KZYXJYBAGQCFJT-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1ccncc1 ZINC000453241494 388021882 /nfs/dbraw/zinc/02/18/82/388021882.db2.gz PJLHOCKFMXGCPR-OCCSQVGLSA-N 1 3 235.375 2.320 20 0 BEADHO CC[NH2+]CCN[C@H]1CCCC[C@@H]1C(C)C ZINC000423253475 388035316 /nfs/dbraw/zinc/03/53/16/388035316.db2.gz ZDWVYSZYDMBKQR-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000423262708 388039792 /nfs/dbraw/zinc/03/97/92/388039792.db2.gz NFHMJSKZABALDG-ZIAGYGMSSA-N 1 3 218.344 2.247 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cccs1 ZINC000423264272 388041870 /nfs/dbraw/zinc/04/18/70/388041870.db2.gz PSELINBPAPZJCZ-ZJUUUORDSA-N 1 3 212.362 2.382 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)CNC)C1CCCC1 ZINC000423266187 388043242 /nfs/dbraw/zinc/04/32/42/388043242.db2.gz CYYDSEWFJDRZNZ-AAEUAGOBSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423265329 388044137 /nfs/dbraw/zinc/04/41/37/388044137.db2.gz CVJWDZBBWOGGON-GJZGRUSLSA-N 1 3 247.386 2.496 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)CNC)C1CCCC1 ZINC000423266190 388044147 /nfs/dbraw/zinc/04/41/47/388044147.db2.gz CYYDSEWFJDRZNZ-YPMHNXCESA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000423266131 388044714 /nfs/dbraw/zinc/04/47/14/388044714.db2.gz CWQPXDZAIASFHS-VXGBXAGGSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@@H](C)[C@H](CC)NCC[NH2+]CC ZINC000423244597 388027953 /nfs/dbraw/zinc/02/79/53/388027953.db2.gz LHXPWKBESVKCKQ-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423245962 388028641 /nfs/dbraw/zinc/02/86/41/388028641.db2.gz YZJSTHJMJJBSPV-XQQFMLRXSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1 ZINC000423245962 388028642 /nfs/dbraw/zinc/02/86/42/388028642.db2.gz YZJSTHJMJJBSPV-XQQFMLRXSA-N 1 3 228.355 2.246 20 0 BEADHO CC(C)(C)C(C)(C)C[NH2+]C1CCNCC1 ZINC000259115995 135136860 /nfs/dbraw/zinc/13/68/60/135136860.db2.gz SVBNTTHYCXCCAS-UHFFFAOYSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@@H](C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000423273554 388053836 /nfs/dbraw/zinc/05/38/36/388053836.db2.gz LBTKAIPXGXMBJQ-LLVKDONJSA-N 1 3 224.392 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423280610 388061640 /nfs/dbraw/zinc/06/16/40/388061640.db2.gz UXMUPOCNCWJEAM-CYZMBNFOSA-N 1 3 210.365 2.010 20 0 BEADHO CCC([NH3+])(CC)CN[C@@H]1CCC12CCC2 ZINC000423281238 388064090 /nfs/dbraw/zinc/06/40/90/388064090.db2.gz BAFAAXVUGPLKPT-LLVKDONJSA-N 1 3 210.365 2.426 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423283448 388064987 /nfs/dbraw/zinc/06/49/87/388064987.db2.gz WEIRWKOZZNLVCV-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO CNC[C@H](C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000423285600 388068768 /nfs/dbraw/zinc/06/87/68/388068768.db2.gz ZRELZKUPUIPNRT-WHXUTIOJSA-N 1 3 234.334 2.255 20 0 BEADHO CCCCO[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423286399 388071980 /nfs/dbraw/zinc/07/19/80/388071980.db2.gz GZHYSRACNQBIMQ-VXGBXAGGSA-N 1 3 242.407 2.297 20 0 BEADHO CCc1ccccc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000084204159 388073839 /nfs/dbraw/zinc/07/38/39/388073839.db2.gz BKOLLYXTMPGIGK-IUODEOHRSA-N 1 3 232.371 2.418 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000084217903 388075328 /nfs/dbraw/zinc/07/53/28/388075328.db2.gz SZHJUTMGBIUKFH-ZIAGYGMSSA-N 1 3 218.344 2.212 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](CN)C2)C1 ZINC000084344494 388076487 /nfs/dbraw/zinc/07/64/87/388076487.db2.gz KPKMVIXWUOYEPM-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](CN)C2)C1 ZINC000084344494 388076489 /nfs/dbraw/zinc/07/64/89/388076489.db2.gz KPKMVIXWUOYEPM-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO Cc1csc([C@@H](C)N[C@H](C)CCC[NH3+])n1 ZINC000336659883 388086707 /nfs/dbraw/zinc/08/67/07/388086707.db2.gz BPQNDKGDHDQTGQ-PSASIEDQSA-N 1 3 227.377 2.230 20 0 BEADHO Cc1ccc(CNCCCC[N@@H+](C)C2CC2)nc1 ZINC000453596480 388088610 /nfs/dbraw/zinc/08/86/10/388088610.db2.gz LLNPCEHWZDVSLV-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO Cc1ccc(CNCCCC[N@H+](C)C2CC2)nc1 ZINC000453596480 388088614 /nfs/dbraw/zinc/08/86/14/388088614.db2.gz LLNPCEHWZDVSLV-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO COc1cccc([C@H](C)[NH2+]C[C@H](N)C(C)C)c1 ZINC000423269284 388047316 /nfs/dbraw/zinc/04/73/16/388047316.db2.gz VWWJWDQUGODBCT-FZMZJTMJSA-N 1 3 236.359 2.329 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000423269171 388048147 /nfs/dbraw/zinc/04/81/47/388048147.db2.gz GWEOJGNOYLZEJE-MROQNXINSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000423269172 388048235 /nfs/dbraw/zinc/04/82/35/388048235.db2.gz GWEOJGNOYLZEJE-WUHRBBMRSA-N 1 3 212.381 2.256 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](N)C(C)C)CC2 ZINC000423270594 388050126 /nfs/dbraw/zinc/05/01/26/388050126.db2.gz ICSILLFYEPVABM-LSDHHAIUSA-N 1 3 248.370 2.255 20 0 BEADHO Cc1cccc(CC[NH2+]CC2=CCN(C)CC2)c1 ZINC000449251126 388162931 /nfs/dbraw/zinc/16/29/31/388162931.db2.gz NDAJWNQOPQYECA-UHFFFAOYSA-N 1 3 244.382 2.389 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+]CC1=CCN(C)CC1 ZINC000449253924 388163255 /nfs/dbraw/zinc/16/32/55/388163255.db2.gz VAUIZTXYTTZLMJ-GFCCVEGCSA-N 1 3 234.343 2.062 20 0 BEADHO C1CC1[C@@H]([NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000324843453 388124974 /nfs/dbraw/zinc/12/49/74/388124974.db2.gz XESHORAVMSBKMS-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000449095305 388141173 /nfs/dbraw/zinc/14/11/73/388141173.db2.gz XQSKYQIGFNPCGJ-JHJVBQTASA-N 1 3 242.432 2.059 20 0 BEADHO CCSCCNC[C@@H](C)C[NH+]1CCCC1 ZINC000164794217 388248493 /nfs/dbraw/zinc/24/84/93/388248493.db2.gz XPWBDQSHWGETSQ-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCC[NH2+]C[C@@H](C)CN1CCCC1 ZINC000164794217 388248495 /nfs/dbraw/zinc/24/84/95/388248495.db2.gz XPWBDQSHWGETSQ-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000449455705 388210535 /nfs/dbraw/zinc/21/05/35/388210535.db2.gz LOSYAEYVCHLIBI-VFZNBBLXSA-N 1 3 210.365 2.273 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449455705 388210537 /nfs/dbraw/zinc/21/05/37/388210537.db2.gz LOSYAEYVCHLIBI-VFZNBBLXSA-N 1 3 210.365 2.273 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CF)CC1 ZINC000451394823 388269477 /nfs/dbraw/zinc/26/94/77/388269477.db2.gz PLTZHSRPUDAZBI-CYBMUJFWSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1CCC(CF)CC1 ZINC000451394823 388269479 /nfs/dbraw/zinc/26/94/79/388269479.db2.gz PLTZHSRPUDAZBI-CYBMUJFWSA-N 1 3 228.355 2.152 20 0 BEADHO CC(C)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173595750 388356999 /nfs/dbraw/zinc/35/69/99/388356999.db2.gz VHBGMKUUPDGLDF-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173595750 388357000 /nfs/dbraw/zinc/35/70/00/388357000.db2.gz VHBGMKUUPDGLDF-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173595750 388357002 /nfs/dbraw/zinc/35/70/02/388357002.db2.gz VHBGMKUUPDGLDF-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H](C)C[C@@H](C)N)cn1 ZINC000572721728 388370817 /nfs/dbraw/zinc/37/08/17/388370817.db2.gz BVONCVDYMLCBQJ-YPMHNXCESA-N 1 3 235.375 2.038 20 0 BEADHO Cc1ccc(CCCN[C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000572721728 388370820 /nfs/dbraw/zinc/37/08/20/388370820.db2.gz BVONCVDYMLCBQJ-YPMHNXCESA-N 1 3 235.375 2.038 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H](C)C[C@H](C)N)cn1 ZINC000572721727 388370862 /nfs/dbraw/zinc/37/08/62/388370862.db2.gz BVONCVDYMLCBQJ-WCQYABFASA-N 1 3 235.375 2.038 20 0 BEADHO Cc1ccc(CCCN[C@H](C)C[C@H](C)[NH3+])cn1 ZINC000572721727 388370864 /nfs/dbraw/zinc/37/08/64/388370864.db2.gz BVONCVDYMLCBQJ-WCQYABFASA-N 1 3 235.375 2.038 20 0 BEADHO Cc1sccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000292996215 388385704 /nfs/dbraw/zinc/38/57/04/388385704.db2.gz OKBWKEFLQDGQHV-SNVBAGLBSA-N 1 3 226.389 2.344 20 0 BEADHO CCC[C@H]([NH2+]CCOCCN(C)C)C1CCC1 ZINC000322715988 388445176 /nfs/dbraw/zinc/44/51/76/388445176.db2.gz RYISLPVHCMCTCX-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCCN[C@H]2C)c1 ZINC000335354907 388450008 /nfs/dbraw/zinc/45/00/08/388450008.db2.gz CVLVZRKAYMDAKE-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725139 388469920 /nfs/dbraw/zinc/46/99/20/388469920.db2.gz BJZPSSJNMXEZCB-AEJSXWLSSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725139 388469921 /nfs/dbraw/zinc/46/99/21/388469921.db2.gz BJZPSSJNMXEZCB-AEJSXWLSSA-N 1 3 238.297 2.257 20 0 BEADHO COC[C@@H](C)C[N@H+](CCCN)CC1CCCC1 ZINC000573249159 388433104 /nfs/dbraw/zinc/43/31/04/388433104.db2.gz WZLRIPLJHAHZKZ-ZDUSSCGKSA-N 1 3 242.407 2.110 20 0 BEADHO COC[C@@H](C)C[N@@H+](CCCN)CC1CCCC1 ZINC000573249159 388433108 /nfs/dbraw/zinc/43/31/08/388433108.db2.gz WZLRIPLJHAHZKZ-ZDUSSCGKSA-N 1 3 242.407 2.110 20 0 BEADHO C[C@H](CCO)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000397616108 388484146 /nfs/dbraw/zinc/48/41/46/388484146.db2.gz FFVFISZJZVLREW-TUKIKUTGSA-N 1 3 248.370 2.129 20 0 BEADHO C[C@H](CCO)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000397616105 388484345 /nfs/dbraw/zinc/48/43/45/388484345.db2.gz FFVFISZJZVLREW-GLQYFDAESA-N 1 3 248.370 2.129 20 0 BEADHO CO[C@H](CN1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000379232143 388599615 /nfs/dbraw/zinc/59/96/15/388599615.db2.gz STVCTTYVGSLHTR-NWANDNLSSA-N 1 3 248.370 2.043 20 0 BEADHO CC[C@H](C)[N@H+](C)CCCN(CC)CC ZINC000187672863 388609963 /nfs/dbraw/zinc/60/99/63/388609963.db2.gz SPCSYEZXGWVHIL-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CC[C@H](C)[N@@H+](C)CCCN(CC)CC ZINC000187672863 388609964 /nfs/dbraw/zinc/60/99/64/388609964.db2.gz SPCSYEZXGWVHIL-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CC[C@H](C)N(C)CCC[NH+](CC)CC ZINC000187672863 388609966 /nfs/dbraw/zinc/60/99/66/388609966.db2.gz SPCSYEZXGWVHIL-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO Cc1ccccc1OCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517588806 388555952 /nfs/dbraw/zinc/55/59/52/388555952.db2.gz SVARTAXHWJCBSQ-ZIAGYGMSSA-N 1 3 248.370 2.233 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCCN2)o1 ZINC000521025804 388559993 /nfs/dbraw/zinc/55/99/93/388559993.db2.gz PZTNGAJHAZMDBF-JSGCOSHPSA-N 1 3 236.359 2.251 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C[C@H](C)O1 ZINC000521983282 388672593 /nfs/dbraw/zinc/67/25/93/388672593.db2.gz NTEBJVOAECPJMX-XVIXHAIJSA-N 1 3 240.391 2.050 20 0 BEADHO C1CC2(C1)NCC[C@@H]2[NH2+]C1CCCCC1 ZINC000530179235 388620279 /nfs/dbraw/zinc/62/02/79/388620279.db2.gz WIUCCMZOMURHBU-LBPRGKRZSA-N 1 3 208.349 2.193 20 0 BEADHO CCC[C@@H](C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530178572 388620861 /nfs/dbraw/zinc/62/08/61/388620861.db2.gz OMJRDBVYGQXPDO-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530178833 388621084 /nfs/dbraw/zinc/62/10/84/388621084.db2.gz OKRLVJDNBWOOSB-PWSUYJOCSA-N 1 3 208.349 2.049 20 0 BEADHO C1CC1[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530177349 388622189 /nfs/dbraw/zinc/62/21/89/388622189.db2.gz GKAQNJUFTXKSKE-IHRRRGAJSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530177349 388622190 /nfs/dbraw/zinc/62/21/90/388622190.db2.gz GKAQNJUFTXKSKE-IHRRRGAJSA-N 1 3 234.387 2.439 20 0 BEADHO CCC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)OCC ZINC000530212611 388627408 /nfs/dbraw/zinc/62/74/08/388627408.db2.gz RDBPGNMVAGONMS-MCIONIFRSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)OCC ZINC000530212611 388627410 /nfs/dbraw/zinc/62/74/10/388627410.db2.gz RDBPGNMVAGONMS-MCIONIFRSA-N 1 3 242.407 2.169 20 0 BEADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530218136 388630035 /nfs/dbraw/zinc/63/00/35/388630035.db2.gz VRYOIYBVXHVECZ-MELADBBJSA-N 1 3 234.387 2.439 20 0 BEADHO C[C@@H](NCC1CC=CC1)[C@H]1CCCC[NH2+]1 ZINC000530217413 388630238 /nfs/dbraw/zinc/63/02/38/388630238.db2.gz STIMROBEFVYYAC-DGCLKSJQSA-N 1 3 208.349 2.073 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC12CCC2)C(C)C ZINC000530217458 388630352 /nfs/dbraw/zinc/63/03/52/388630352.db2.gz GQBWZNLADXFZKB-RYUDHWBXSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530217458 388630355 /nfs/dbraw/zinc/63/03/55/388630355.db2.gz GQBWZNLADXFZKB-RYUDHWBXSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H](NCC1CC=CC1)[C@@H]1CCC[NH2+]1 ZINC000530217665 388630905 /nfs/dbraw/zinc/63/09/05/388630905.db2.gz UZTIMXDAEHYCCJ-OLZOCXBDSA-N 1 3 208.349 2.073 20 0 BEADHO CC[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCCN1 ZINC000530217665 388630907 /nfs/dbraw/zinc/63/09/07/388630907.db2.gz UZTIMXDAEHYCCJ-OLZOCXBDSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CC(C)(C)C1 ZINC000530225302 388634680 /nfs/dbraw/zinc/63/46/80/388634680.db2.gz VNGCNHGMVONRSI-JQWIXIFHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CC(C)(C)C1 ZINC000530225302 388634683 /nfs/dbraw/zinc/63/46/83/388634683.db2.gz VNGCNHGMVONRSI-JQWIXIFHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CC(C)(C)C1 ZINC000530225302 388634686 /nfs/dbraw/zinc/63/46/86/388634686.db2.gz VNGCNHGMVONRSI-JQWIXIFHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)c1ccncc1 ZINC000530242714 388637646 /nfs/dbraw/zinc/63/76/46/388637646.db2.gz CTIUGBLDDHKXOK-GUTXKFCHSA-N 1 3 247.386 2.305 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC1 ZINC000530244971 388639024 /nfs/dbraw/zinc/63/90/24/388639024.db2.gz RLHLYPLSHTUOKB-CMPLNLGQSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251176505 388642286 /nfs/dbraw/zinc/64/22/86/388642286.db2.gz GFZOIPZEYWVBPU-WXHSDQCUSA-N 1 3 210.365 2.282 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000222994259 388647299 /nfs/dbraw/zinc/64/72/99/388647299.db2.gz LBVQOGFBKHIEDX-JHJVBQTASA-N 1 3 208.349 2.202 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000227006710 388737054 /nfs/dbraw/zinc/73/70/54/388737054.db2.gz RBYJKEDBDWLPGK-WOPDTQHZSA-N 1 3 228.405 2.132 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCCS2)C1 ZINC000227006710 388737056 /nfs/dbraw/zinc/73/70/56/388737056.db2.gz RBYJKEDBDWLPGK-WOPDTQHZSA-N 1 3 228.405 2.132 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251379476 388747438 /nfs/dbraw/zinc/74/74/38/388747438.db2.gz YZWZUEDYMBGUHJ-AVGNSLFASA-N 1 3 210.365 2.247 20 0 BEADHO CSC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248662957 388689156 /nfs/dbraw/zinc/68/91/56/388689156.db2.gz YWXLCAOYVKDYKP-NEPJUHHUSA-N 1 3 240.416 2.098 20 0 BEADHO CSC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248662957 388689157 /nfs/dbraw/zinc/68/91/57/388689157.db2.gz YWXLCAOYVKDYKP-NEPJUHHUSA-N 1 3 240.416 2.098 20 0 BEADHO CCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000249396018 388719842 /nfs/dbraw/zinc/71/98/42/388719842.db2.gz SUOIYUUXAWCDRU-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000249396018 388719844 /nfs/dbraw/zinc/71/98/44/388719844.db2.gz SUOIYUUXAWCDRU-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCC=C(C)C)[C@@H](C)C1 ZINC000249692547 388731719 /nfs/dbraw/zinc/73/17/19/388731719.db2.gz XHCPIYDFYBWYDN-QWHCGFSZSA-N 1 3 210.365 2.273 20 0 BEADHO CC[N@H+]1CC[C@@H](NCC=C(C)C)[C@@H](C)C1 ZINC000249692547 388731721 /nfs/dbraw/zinc/73/17/21/388731721.db2.gz XHCPIYDFYBWYDN-QWHCGFSZSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@H](CCN)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252982265 388796266 /nfs/dbraw/zinc/79/62/66/388796266.db2.gz VPBXQIKNADSVNL-XBFCOCLRSA-N 1 3 218.344 2.117 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@H]21 ZINC000554095449 388799055 /nfs/dbraw/zinc/79/90/55/388799055.db2.gz FNDHLNSTAPQOMF-UHFZAUJKSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@H]21 ZINC000554095449 388799057 /nfs/dbraw/zinc/79/90/57/388799057.db2.gz FNDHLNSTAPQOMF-UHFZAUJKSA-N 1 3 244.329 2.102 20 0 BEADHO CCOC[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000128592136 388774247 /nfs/dbraw/zinc/77/42/47/388774247.db2.gz PECPFTDKAVEQKJ-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCc2cccc(F)c2)C1 ZINC000093211035 388829770 /nfs/dbraw/zinc/82/97/70/388829770.db2.gz NUFBFTKCYYGNCG-KBPBESRZSA-N 1 3 236.334 2.228 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000093211035 388829772 /nfs/dbraw/zinc/82/97/72/388829772.db2.gz NUFBFTKCYYGNCG-KBPBESRZSA-N 1 3 236.334 2.228 20 0 BEADHO CCC[N@H+](CCCN(C)C)CC1(F)CC1 ZINC000554883418 388834577 /nfs/dbraw/zinc/83/45/77/388834577.db2.gz PKJJMQSGUOZRAT-UHFFFAOYSA-N 1 3 216.344 2.152 20 0 BEADHO CCC[N@@H+](CCCN(C)C)CC1(F)CC1 ZINC000554883418 388834579 /nfs/dbraw/zinc/83/45/79/388834579.db2.gz PKJJMQSGUOZRAT-UHFFFAOYSA-N 1 3 216.344 2.152 20 0 BEADHO CC(C)NCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000565592459 388955418 /nfs/dbraw/zinc/95/54/18/388955418.db2.gz DPELNINJJVQXCJ-KGLIPLIRSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)[NH2+]CCCN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000565592459 388955415 /nfs/dbraw/zinc/95/54/15/388955415.db2.gz DPELNINJJVQXCJ-KGLIPLIRSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)NCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000565592454 388955807 /nfs/dbraw/zinc/95/58/07/388955807.db2.gz DPELNINJJVQXCJ-KBPBESRZSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)[NH2+]CCCN[C@H]1CCO[C@H](C(C)C)C1 ZINC000565592454 388955804 /nfs/dbraw/zinc/95/58/04/388955804.db2.gz DPELNINJJVQXCJ-KBPBESRZSA-N 1 3 242.407 2.168 20 0 BEADHO CN(CCC[NH+](C)C)CCC(C)(C)C ZINC000565943293 388980973 /nfs/dbraw/zinc/98/09/73/388980973.db2.gz BEWJHRGORLMIRQ-UHFFFAOYSA-N 1 3 200.370 2.306 20 0 BEADHO CCC(C)(C)[C@H](C)NC[C@@]1(COC)CCC[NH2+]1 ZINC000566062620 388985960 /nfs/dbraw/zinc/98/59/60/388985960.db2.gz RZWVZGUKXMPBGG-GXTWGEPZSA-N 1 3 242.407 2.169 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000566087901 388986560 /nfs/dbraw/zinc/98/65/60/388986560.db2.gz BVLZTMQSMZWHCK-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCCCS1 ZINC000168772824 533368802 /nfs/dbraw/zinc/36/88/02/533368802.db2.gz VPRWSIWPKDAOSU-NEPJUHHUSA-N 1 3 228.405 2.004 20 0 BEADHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCS1 ZINC000168772824 533368805 /nfs/dbraw/zinc/36/88/05/533368805.db2.gz VPRWSIWPKDAOSU-NEPJUHHUSA-N 1 3 228.405 2.004 20 0 BEADHO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccn1 ZINC000274918799 132204365 /nfs/dbraw/zinc/20/43/65/132204365.db2.gz OTPKBPGOFJQGFP-HIFRSBDPSA-N 1 3 245.370 2.311 20 0 BEADHO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccn1 ZINC000274918799 132204367 /nfs/dbraw/zinc/20/43/67/132204367.db2.gz OTPKBPGOFJQGFP-HIFRSBDPSA-N 1 3 245.370 2.311 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000358915268 132275975 /nfs/dbraw/zinc/27/59/75/132275975.db2.gz NKDMNEQYAZGXIU-CQSZACIVSA-N 1 3 233.359 2.166 20 0 BEADHO CC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960319 132343052 /nfs/dbraw/zinc/34/30/52/132343052.db2.gz YEUSSVLHSCFFIM-GFCCVEGCSA-N 1 3 233.359 2.439 20 0 BEADHO c1cc(N2CCC([NH2+]CC3CCC3)CC2)ccn1 ZINC000037179312 132343738 /nfs/dbraw/zinc/34/37/38/132343738.db2.gz ZVTYYWSIRBHSTE-UHFFFAOYSA-N 1 3 245.370 2.440 20 0 BEADHO C[C@H]1CCSCCN1CC[C@H]1CCC[N@@H+]1C ZINC000335938087 134013164 /nfs/dbraw/zinc/01/31/64/134013164.db2.gz OAFKSKFMSOHTBF-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@H]1CCSCCN1CC[C@H]1CCC[N@H+]1C ZINC000335938087 134013165 /nfs/dbraw/zinc/01/31/65/134013165.db2.gz OAFKSKFMSOHTBF-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](CN)C1 ZINC000347032448 134196353 /nfs/dbraw/zinc/19/63/53/134196353.db2.gz ABIDRIJWUOFBGV-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](CN)C1 ZINC000347032448 134196354 /nfs/dbraw/zinc/19/63/54/134196354.db2.gz ABIDRIJWUOFBGV-MGPQQGTHSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc(Cl)cc1 ZINC000220486683 134305158 /nfs/dbraw/zinc/30/51/58/134305158.db2.gz JJKZHABYPJDTET-VIFPVBQESA-N 1 3 212.724 2.167 20 0 BEADHO COCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000178305184 134305978 /nfs/dbraw/zinc/30/59/78/134305978.db2.gz ISPSKAKNKBEYHR-MCIONIFRSA-N 1 3 242.407 2.264 20 0 BEADHO Cc1cc(C)cc(CN[C@@H](C)CC[NH3+])c1 ZINC000220538894 134309843 /nfs/dbraw/zinc/30/98/43/134309843.db2.gz TYZQARIIERWZTL-LBPRGKRZSA-N 1 3 206.333 2.130 20 0 BEADHO CC(C)CCC[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000221963805 134326527 /nfs/dbraw/zinc/32/65/27/134326527.db2.gz LSVOEQRJLCTMPD-CHWSQXEVSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)CCC[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000221963805 134326528 /nfs/dbraw/zinc/32/65/28/134326528.db2.gz LSVOEQRJLCTMPD-CHWSQXEVSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000222455691 134332138 /nfs/dbraw/zinc/33/21/38/134332138.db2.gz VVTMHQJUFOYSHP-ZIAGYGMSSA-N 1 3 218.344 2.355 20 0 BEADHO C[C@H]1OCC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000134203615 134705126 /nfs/dbraw/zinc/70/51/26/134705126.db2.gz YFFZSPSKQKTXJO-YPMHNXCESA-N 1 3 240.391 2.016 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381541 134901046 /nfs/dbraw/zinc/90/10/46/134901046.db2.gz IJAWRVGOGPHHBA-DTWKUNHWSA-N 1 3 224.270 2.046 20 0 BEADHO CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000250785083 135058933 /nfs/dbraw/zinc/05/89/33/135058933.db2.gz VUYFQPMJLFLXLU-WCQYABFASA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](CCCO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251266010 135066976 /nfs/dbraw/zinc/06/69/76/135066976.db2.gz WSMNXFQKBUBUOV-MGPQQGTHSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@H]1CN(CCCc2ccccc2)CC[C@H]1[NH3+] ZINC000251615883 135072237 /nfs/dbraw/zinc/07/22/37/135072237.db2.gz DRNWZLBWEXEPDR-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@H](C)C[N@H+](CC)[C@@H]1CCCNCC1 ZINC000086439149 135084885 /nfs/dbraw/zinc/08/48/85/135084885.db2.gz KHIXURKDGLDEJI-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000086439149 135084887 /nfs/dbraw/zinc/08/48/87/135084887.db2.gz KHIXURKDGLDEJI-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252175279 135085459 /nfs/dbraw/zinc/08/54/59/135085459.db2.gz OUXRQVDXXIDWEB-RQJABVFESA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000252513592 135091918 /nfs/dbraw/zinc/09/19/18/135091918.db2.gz ZMTKJJBHRHCCOM-RQJABVFESA-N 1 3 222.376 2.391 20 0 BEADHO CC(C)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252695929 135097330 /nfs/dbraw/zinc/09/73/30/135097330.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252695929 135097332 /nfs/dbraw/zinc/09/73/32/135097332.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000252695929 135097334 /nfs/dbraw/zinc/09/73/34/135097334.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000252695929 135097336 /nfs/dbraw/zinc/09/73/36/135097336.db2.gz AYPGVLVFQCYHSV-UONOGXRCSA-N 1 3 224.392 2.449 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252894319 135116383 /nfs/dbraw/zinc/11/63/83/135116383.db2.gz USHVXMRBOYUMRR-UKRRQHHQSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252894319 135116385 /nfs/dbraw/zinc/11/63/85/135116385.db2.gz USHVXMRBOYUMRR-UKRRQHHQSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000252952354 135117407 /nfs/dbraw/zinc/11/74/07/135117407.db2.gz POBXYQPNWNRYIN-KGLIPLIRSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000252952354 135117408 /nfs/dbraw/zinc/11/74/08/135117408.db2.gz POBXYQPNWNRYIN-KGLIPLIRSA-N 1 3 231.343 2.429 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000253118333 135122115 /nfs/dbraw/zinc/12/21/15/135122115.db2.gz HAOOSEZGYOBHKQ-LPWJVIDDSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H]1CCN(CCc2ccccc2)C[C@H]1C[NH3+] ZINC000253237440 135124781 /nfs/dbraw/zinc/12/47/81/135124781.db2.gz OYSUCDPVLWUZII-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H]1CC[N@H+](CCc2ccccc2)C[C@H]1CN ZINC000253237440 135124782 /nfs/dbraw/zinc/12/47/82/135124782.db2.gz OYSUCDPVLWUZII-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1CN ZINC000253237440 135124783 /nfs/dbraw/zinc/12/47/83/135124783.db2.gz OYSUCDPVLWUZII-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000258829490 135134799 /nfs/dbraw/zinc/13/47/99/135134799.db2.gz DCMLGDQLVYYCKJ-ZIAGYGMSSA-N 1 3 218.344 2.355 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000258944829 135136081 /nfs/dbraw/zinc/13/60/81/135136081.db2.gz KEHNPCXDVOZHNT-NEPJUHHUSA-N 1 3 224.735 2.309 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257712891 135140410 /nfs/dbraw/zinc/14/04/10/135140410.db2.gz UAKPTSYMRTTXSX-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257712891 135140412 /nfs/dbraw/zinc/14/04/12/135140412.db2.gz UAKPTSYMRTTXSX-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](c1cccnc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000257751462 135141589 /nfs/dbraw/zinc/14/15/89/135141589.db2.gz UWXNQHFHTOXNMX-CYBMUJFWSA-N 1 3 245.370 2.218 20 0 BEADHO C(C1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257747712 135141598 /nfs/dbraw/zinc/14/15/98/135141598.db2.gz ZXZVCFHIHGTLHG-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)s1 ZINC000261531190 135159776 /nfs/dbraw/zinc/15/97/76/135159776.db2.gz FPFYSVPCVXFHGE-GFCCVEGCSA-N 1 3 224.373 2.227 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000087646038 135160847 /nfs/dbraw/zinc/16/08/47/135160847.db2.gz JUXZVNCDYBRTCN-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO CN(CCCc1ccccc1)C1CC([NH3+])C1 ZINC000087653263 135161195 /nfs/dbraw/zinc/16/11/95/135161195.db2.gz QDMMHCUVMVRIDQ-UHFFFAOYSA-N 1 3 218.344 2.041 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@@H]2C)s1 ZINC000261531944 135161662 /nfs/dbraw/zinc/16/16/62/135161662.db2.gz ILRXSYUARHTXEA-JOYOIKCWSA-N 1 3 224.373 2.144 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCSC2)c2ccccc21 ZINC000261534321 135166636 /nfs/dbraw/zinc/16/66/36/135166636.db2.gz PVMIUVLZYTZYJK-ZWKOPEQDSA-N 1 3 234.368 2.226 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000261535652 135170177 /nfs/dbraw/zinc/17/01/77/135170177.db2.gz OXJXYFMMSDRMFP-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261536368 135171492 /nfs/dbraw/zinc/17/14/92/135171492.db2.gz RKRZMJPEQLIEJF-QJPTWQEYSA-N 1 3 210.365 2.140 20 0 BEADHO CC[N@H+](C[C@H]1CCCNC1)[C@H](C)C(C)C ZINC000261537023 135172685 /nfs/dbraw/zinc/17/26/85/135172685.db2.gz UPBZWXISNFUCNT-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CC[N@@H+](C[C@H]1CCCNC1)[C@H](C)C(C)C ZINC000261537023 135172687 /nfs/dbraw/zinc/17/26/87/135172687.db2.gz UPBZWXISNFUCNT-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2)C[C@@H](C)C1 ZINC000261538229 135175891 /nfs/dbraw/zinc/17/58/91/135175891.db2.gz XMZHASAWCUCKSG-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1(C)C ZINC000261544459 135185356 /nfs/dbraw/zinc/18/53/56/135185356.db2.gz YFNCRNSLQOBOBF-MROQNXINSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000261544459 135185357 /nfs/dbraw/zinc/18/53/57/135185357.db2.gz YFNCRNSLQOBOBF-MROQNXINSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1(C)C ZINC000261544461 135185467 /nfs/dbraw/zinc/18/54/67/135185467.db2.gz YFNCRNSLQOBOBF-ZDEQEGDKSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000261544461 135185468 /nfs/dbraw/zinc/18/54/68/135185468.db2.gz YFNCRNSLQOBOBF-ZDEQEGDKSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)C(C)(C)C1 ZINC000261549143 135187536 /nfs/dbraw/zinc/18/75/36/135187536.db2.gz OGHKUTZUFXUHPX-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)C(C)(C)C1 ZINC000261549143 135187537 /nfs/dbraw/zinc/18/75/37/135187537.db2.gz OGHKUTZUFXUHPX-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCNCC1(C)C ZINC000261549526 135188364 /nfs/dbraw/zinc/18/83/64/135188364.db2.gz KKMJLPMQXJPMGF-AWEZNQCLSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261549578 135188572 /nfs/dbraw/zinc/18/85/72/135188572.db2.gz KQTVCDDMIFGAES-RKDXNWHRSA-N 1 3 244.285 2.113 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000084215938 135191711 /nfs/dbraw/zinc/19/17/11/135191711.db2.gz CPAVKGZWKZYTTC-STQMWFEESA-N 1 3 210.365 2.284 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261556314 135196289 /nfs/dbraw/zinc/19/62/89/135196289.db2.gz BWSNHHYCPGYUKB-ARFHVFGLSA-N 1 3 244.382 2.473 20 0 BEADHO CC1CCC(CN2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261562892 135204675 /nfs/dbraw/zinc/20/46/75/135204675.db2.gz WRFBCNGOUAIHDE-NRXISQOPSA-N 1 3 236.403 2.498 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000261564143 135206197 /nfs/dbraw/zinc/20/61/97/135206197.db2.gz XNCHYNQJSSRABR-AWEZNQCLSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000261572768 135214750 /nfs/dbraw/zinc/21/47/50/135214750.db2.gz IGUYPHSKDIGVEJ-CYZMBNFOSA-N 1 3 236.384 2.226 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000261572770 135214850 /nfs/dbraw/zinc/21/48/50/135214850.db2.gz IGUYPHSKDIGVEJ-UHTWSYAYSA-N 1 3 236.384 2.226 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000261572771 135215011 /nfs/dbraw/zinc/21/50/11/135215011.db2.gz IGUYPHSKDIGVEJ-WCFLWFBJSA-N 1 3 236.384 2.226 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000261572769 135215077 /nfs/dbraw/zinc/21/50/77/135215077.db2.gz IGUYPHSKDIGVEJ-DRZSPHRISA-N 1 3 236.384 2.226 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CCNC[C@H]2C)C[C@@H](C)C1 ZINC000261576030 135217600 /nfs/dbraw/zinc/21/76/00/135217600.db2.gz KBEUSITWVORGFM-BJJPWKGXSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@H](N)[C@H]2C)c(C)c1 ZINC000261579236 135219832 /nfs/dbraw/zinc/21/98/32/135219832.db2.gz MGCLVKJCRNLOPU-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@H](N)[C@H]2C)c(C)c1 ZINC000261579236 135219833 /nfs/dbraw/zinc/21/98/33/135219833.db2.gz MGCLVKJCRNLOPU-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000261580986 135221507 /nfs/dbraw/zinc/22/15/07/135221507.db2.gz QGVDSYPBTDDYBZ-FIXIBIHLSA-N 1 3 246.354 2.288 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261585622 135226796 /nfs/dbraw/zinc/22/67/96/135226796.db2.gz TYCRLJLTKXELAM-ZBFHGGJFSA-N 1 3 244.382 2.345 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCC2CCCC2)C1 ZINC000261587660 135228769 /nfs/dbraw/zinc/22/87/69/135228769.db2.gz RXSJOIAOGBJNGT-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000261587660 135228770 /nfs/dbraw/zinc/22/87/70/135228770.db2.gz RXSJOIAOGBJNGT-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000261587660 135228771 /nfs/dbraw/zinc/22/87/71/135228771.db2.gz RXSJOIAOGBJNGT-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000261588569 135229008 /nfs/dbraw/zinc/22/90/08/135229008.db2.gz VUARDMXPTCUMJH-ZNMIVQPWSA-N 1 3 248.370 2.272 20 0 BEADHO C[C@H]1CC[C@@]2(CCN(CC(C)(C)[NH3+])C2)C1 ZINC000261589647 135229852 /nfs/dbraw/zinc/22/98/52/135229852.db2.gz UAABZOQFBFNGIW-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO Cc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261546222 135238418 /nfs/dbraw/zinc/23/84/18/135238418.db2.gz GRGCUMVSEXEEKM-ZNMIVQPWSA-N 1 3 230.355 2.164 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCSC2)c2ccccc21 ZINC000261547268 135239979 /nfs/dbraw/zinc/23/99/79/135239979.db2.gz HVTRAKQEGALVOG-HONMWMINSA-N 1 3 248.395 2.474 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261547391 135240181 /nfs/dbraw/zinc/24/01/81/135240181.db2.gz MHSPCQAWSLPLQQ-MELADBBJSA-N 1 3 222.376 2.108 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261547391 135240182 /nfs/dbraw/zinc/24/01/82/135240182.db2.gz MHSPCQAWSLPLQQ-MELADBBJSA-N 1 3 222.376 2.108 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261548071 135241888 /nfs/dbraw/zinc/24/18/88/135241888.db2.gz JBCCGAUFHWRMHZ-STQMWFEESA-N 1 3 242.407 2.156 20 0 BEADHO C[C@H](CN1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652300 135242605 /nfs/dbraw/zinc/24/26/05/135242605.db2.gz BCXWNZFTRRUMCB-NEPJUHHUSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccc(F)cc1 ZINC000261652300 135242606 /nfs/dbraw/zinc/24/26/06/135242606.db2.gz BCXWNZFTRRUMCB-NEPJUHHUSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](CN)C1)c1ccc(F)cc1 ZINC000261652300 135242608 /nfs/dbraw/zinc/24/26/08/135242608.db2.gz BCXWNZFTRRUMCB-NEPJUHHUSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H](CN1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652304 135242638 /nfs/dbraw/zinc/24/26/38/135242638.db2.gz BCXWNZFTRRUMCB-RYUDHWBXSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccc(F)cc1 ZINC000261652304 135242639 /nfs/dbraw/zinc/24/26/39/135242639.db2.gz BCXWNZFTRRUMCB-RYUDHWBXSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@H](CN)C1)c1ccc(F)cc1 ZINC000261652304 135242641 /nfs/dbraw/zinc/24/26/41/135242641.db2.gz BCXWNZFTRRUMCB-RYUDHWBXSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H]1CC2(CCC2)CN1C[C@@]1(C)CC[NH2+]C1 ZINC000261740108 135248867 /nfs/dbraw/zinc/24/88/67/135248867.db2.gz IHBACOPDXKTAJN-OLZOCXBDSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000261768983 135251438 /nfs/dbraw/zinc/25/14/38/135251438.db2.gz MIOCHGPBBOSMQM-JSGCOSHPSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC12CCC2 ZINC000261917404 135262916 /nfs/dbraw/zinc/26/29/16/135262916.db2.gz ZUHBSANXONROJQ-KGLIPLIRSA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000261961718 135267149 /nfs/dbraw/zinc/26/71/49/135267149.db2.gz HJGBMLNDKDXVHO-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000262075160 135277754 /nfs/dbraw/zinc/27/77/54/135277754.db2.gz SKYXHOWRNMGDKB-GXTWGEPZSA-N 1 3 224.392 2.497 20 0 BEADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCC(C)(C)C1 ZINC000262075161 135278026 /nfs/dbraw/zinc/27/80/26/135278026.db2.gz SKYXHOWRNMGDKB-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000299894575 135380813 /nfs/dbraw/zinc/38/08/13/135380813.db2.gz XXZBUSFFINEQTL-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000299894575 135380814 /nfs/dbraw/zinc/38/08/14/135380814.db2.gz XXZBUSFFINEQTL-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@H]21 ZINC000348253794 136057060 /nfs/dbraw/zinc/05/70/60/136057060.db2.gz FNDHLNSTAPQOMF-YBXAARCKSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@H]21 ZINC000348253794 136057061 /nfs/dbraw/zinc/05/70/61/136057061.db2.gz FNDHLNSTAPQOMF-YBXAARCKSA-N 1 3 244.329 2.102 20 0 BEADHO FC1(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000348336943 136075658 /nfs/dbraw/zinc/07/56/58/136075658.db2.gz SPPNAIRNRHNKEM-STQMWFEESA-N 1 3 240.366 2.485 20 0 BEADHO FC1(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000348336943 136075659 /nfs/dbraw/zinc/07/56/59/136075659.db2.gz SPPNAIRNRHNKEM-STQMWFEESA-N 1 3 240.366 2.485 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)N ZINC000335599111 136113732 /nfs/dbraw/zinc/11/37/32/136113732.db2.gz NPEJAXLZCYUHOC-NOZJJQNGSA-N 1 3 236.334 2.386 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccnc1 ZINC000624122436 397807171 /nfs/dbraw/zinc/80/71/71/397807171.db2.gz REHMAMMHZLHWPE-UONOGXRCSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H]1C[C@H](N(C)CCc2cccnc2)CC[N@@H+]1C ZINC000172844103 397832204 /nfs/dbraw/zinc/83/22/04/397832204.db2.gz RQCUTYOOVKBWLN-UKRRQHHQSA-N 1 3 247.386 2.039 20 0 BEADHO C[C@@H]1C[C@H](N(C)CCc2cccnc2)CC[N@H+]1C ZINC000172844103 397832207 /nfs/dbraw/zinc/83/22/07/397832207.db2.gz RQCUTYOOVKBWLN-UKRRQHHQSA-N 1 3 247.386 2.039 20 0 BEADHO C[N@H+](CCCN)C[C@@H]1CCCC(C)(C)C1 ZINC000390433281 397889327 /nfs/dbraw/zinc/88/93/27/397889327.db2.gz AYQUHSZTVYOTTN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO C[N@@H+](CCCN)C[C@@H]1CCCC(C)(C)C1 ZINC000390433281 397889329 /nfs/dbraw/zinc/88/93/29/397889329.db2.gz AYQUHSZTVYOTTN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO CN(CCC[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000390433281 397889332 /nfs/dbraw/zinc/88/93/32/397889332.db2.gz AYQUHSZTVYOTTN-GFCCVEGCSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCN)cc1 ZINC000414689038 398018602 /nfs/dbraw/zinc/01/86/02/398018602.db2.gz FGWUNUOTIKVYEF-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccc(C[C@@H]2CCC[N@H+]2CCCN)cc1 ZINC000414689038 398018606 /nfs/dbraw/zinc/01/86/06/398018606.db2.gz FGWUNUOTIKVYEF-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccc(C[C@@H]2CCCN2CCC[NH3+])cc1 ZINC000414689038 398018609 /nfs/dbraw/zinc/01/86/09/398018609.db2.gz FGWUNUOTIKVYEF-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)C ZINC000336732675 398025252 /nfs/dbraw/zinc/02/52/52/398025252.db2.gz LWAHTIHKOJXWQW-CYBMUJFWSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@H](c1ccccc1)N(C)C[C@@H]1CC[NH2+]C1 ZINC000197302122 397971636 /nfs/dbraw/zinc/97/16/36/397971636.db2.gz YAQVUKXLGVEJBT-CHWSQXEVSA-N 1 3 218.344 2.289 20 0 BEADHO Cc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414857828 398065873 /nfs/dbraw/zinc/06/58/73/398065873.db2.gz QHCKKUWBHDJRTF-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CNC)C1 ZINC000414850674 398057449 /nfs/dbraw/zinc/05/74/49/398057449.db2.gz ZRHRAXXISDCTKD-UPJWGTAASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cc(C)c(CNC[C@H](C)C[NH3+])c(C)c1 ZINC000258810336 322876595 /nfs/dbraw/zinc/87/65/95/322876595.db2.gz SKJAWUVYMIFNOH-LLVKDONJSA-N 1 3 220.360 2.296 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc3c2NCC3)C1 ZINC000334849093 487573723 /nfs/dbraw/zinc/57/37/23/487573723.db2.gz VDIVYAJWHMIKGE-KGLIPLIRSA-N 1 3 245.370 2.014 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCC[C@H]1CCN ZINC000352504847 167212729 /nfs/dbraw/zinc/21/27/29/167212729.db2.gz VIJFQJJYCMVWCQ-ZDUSSCGKSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OCCC[N@H+]1CCCC[C@H]1CCN ZINC000352504847 167212731 /nfs/dbraw/zinc/21/27/31/167212731.db2.gz VIJFQJJYCMVWCQ-ZDUSSCGKSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OCCCN1CCCC[C@H]1CC[NH3+] ZINC000352504847 167212733 /nfs/dbraw/zinc/21/27/33/167212733.db2.gz VIJFQJJYCMVWCQ-ZDUSSCGKSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000668820998 487596506 /nfs/dbraw/zinc/59/65/06/487596506.db2.gz ZZCGQSMIIVMAOT-YUELXQCFSA-N 1 3 236.403 2.354 20 0 BEADHO Cc1cccc(C)c1OCCC[NH2+]CCCN ZINC000349144482 487596615 /nfs/dbraw/zinc/59/66/15/487596615.db2.gz OXUDTPVICPOXPJ-UHFFFAOYSA-N 1 3 236.359 2.011 20 0 BEADHO Cc1cccc(C)c1OCCCNCCC[NH3+] ZINC000349144482 487596623 /nfs/dbraw/zinc/59/66/23/487596623.db2.gz OXUDTPVICPOXPJ-UHFFFAOYSA-N 1 3 236.359 2.011 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cccs3)[C@H]2C1 ZINC001651698262 1172976757 /nfs/dbraw/zinc/97/67/57/1172976757.db2.gz UDYXAXLYVBCINI-WCFLWFBJSA-N 1 3 236.384 2.178 20 0 BEADHO COCC[C@@H](C)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000531780034 487602028 /nfs/dbraw/zinc/60/20/28/487602028.db2.gz ZEBCUCWWHIPQQA-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO COCC[C@@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000531780034 487602032 /nfs/dbraw/zinc/60/20/32/487602032.db2.gz ZEBCUCWWHIPQQA-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO Clc1sccc1CNCC[C@H]1CC[NH2+]C1 ZINC000312764158 322923246 /nfs/dbraw/zinc/92/32/46/322923246.db2.gz LPSHVMJRTARZGF-SECBINFHSA-N 1 3 244.791 2.491 20 0 BEADHO CO[C@@H](CN[C@@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277285 409590134 /nfs/dbraw/zinc/59/01/34/409590134.db2.gz PEJVNZFPMCMMCW-STQMWFEESA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000662282906 409607580 /nfs/dbraw/zinc/60/75/80/409607580.db2.gz DGAUQYCKLCWKPF-HBNTYKKESA-N 1 3 234.334 2.479 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCC1CCC1 ZINC000662284758 409615316 /nfs/dbraw/zinc/61/53/16/409615316.db2.gz PGFADEHBDLHCQR-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H](C[NH2+][C@H](C)CC1CCC1)CN(C)C ZINC000308911329 409937480 /nfs/dbraw/zinc/93/74/80/409937480.db2.gz MQQRUIKDLVGXBK-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO CCC[N@H+](C[C@@H]1CCCCO1)C1CCNCC1 ZINC000037539186 410201867 /nfs/dbraw/zinc/20/18/67/410201867.db2.gz BUURVQQERXDXKB-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CCC[N@@H+](C[C@@H]1CCCCO1)C1CCNCC1 ZINC000037539186 410201870 /nfs/dbraw/zinc/20/18/70/410201870.db2.gz BUURVQQERXDXKB-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CCCN(C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037539186 410201873 /nfs/dbraw/zinc/20/18/73/410201873.db2.gz BUURVQQERXDXKB-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)Cc1ccccc1 ZINC000663498671 410275759 /nfs/dbraw/zinc/27/57/59/410275759.db2.gz SOIVVRZAOGNNGU-IUDNXUCKSA-N 1 3 244.382 2.207 20 0 BEADHO CC(C)CC[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000663498982 410275796 /nfs/dbraw/zinc/27/57/96/410275796.db2.gz SSIZDAQYTYEGOY-HIFPTAJRSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000663498381 410276391 /nfs/dbraw/zinc/27/63/91/410276391.db2.gz BJLOIJJDMLCQQE-MCIONIFRSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000663498381 410276399 /nfs/dbraw/zinc/27/63/99/410276399.db2.gz BJLOIJJDMLCQQE-MCIONIFRSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000663498383 410276570 /nfs/dbraw/zinc/27/65/70/410276570.db2.gz BJLOIJJDMLCQQE-MGPQQGTHSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000663498383 410276576 /nfs/dbraw/zinc/27/65/76/410276576.db2.gz BJLOIJJDMLCQQE-MGPQQGTHSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CC1CCOCC1 ZINC000663503027 410278861 /nfs/dbraw/zinc/27/88/61/410278861.db2.gz MBSNHJKZVXGATB-GXTWGEPZSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@H]1CN(Cc2cccc3c2CCC3)CC[C@@H]1[NH3+] ZINC000650703246 410335166 /nfs/dbraw/zinc/33/51/66/410335166.db2.gz QYZUBTWLWWUKFV-LRDDRELGSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650703283 410336379 /nfs/dbraw/zinc/33/63/79/410336379.db2.gz SNYHTYYKMFNUCV-TZMCWYRMSA-N 1 3 244.382 2.344 20 0 BEADHO CC(C)(C)CNCc1ccc(C[NH3+])cc1F ZINC000650718228 410355700 /nfs/dbraw/zinc/35/57/00/410355700.db2.gz DBWVNBFXPADZHK-UHFFFAOYSA-N 1 3 224.323 2.420 20 0 BEADHO CC1(CNCc2ccc(C[NH3+])cc2F)CC1 ZINC000650716787 410350028 /nfs/dbraw/zinc/35/00/28/410350028.db2.gz JVDUOBSXPGEESV-UHFFFAOYSA-N 1 3 222.307 2.174 20 0 BEADHO CC1CC(NCc2ccc(C[NH3+])cc2F)C1 ZINC000650717081 410354824 /nfs/dbraw/zinc/35/48/24/410354824.db2.gz RFASCFHWZSBMOW-UHFFFAOYSA-N 1 3 222.307 2.173 20 0 BEADHO C[C@@H]1CN(CCC[NH3+])CCc2ccc(F)cc21 ZINC000650725135 410361688 /nfs/dbraw/zinc/36/16/88/410361688.db2.gz UFJVQLMOOKFDRX-LLVKDONJSA-N 1 3 236.334 2.136 20 0 BEADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000650741404 410373117 /nfs/dbraw/zinc/37/31/17/410373117.db2.gz CUKBGVUOELRRAB-BYCMXARLSA-N 1 3 230.355 2.048 20 0 BEADHO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000650741404 410373122 /nfs/dbraw/zinc/37/31/22/410373122.db2.gz CUKBGVUOELRRAB-BYCMXARLSA-N 1 3 230.355 2.048 20 0 BEADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000650741958 410374410 /nfs/dbraw/zinc/37/44/10/410374410.db2.gz OOWQYITZTFDBKW-FIQHERPVSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]1C[C@@H](NCc2ccc(C[NH3+])cc2F)[C@@H]1C ZINC000650755590 410401453 /nfs/dbraw/zinc/40/14/53/410401453.db2.gz IJUDNPHNKKEECP-GPCCPHFNSA-N 1 3 236.334 2.419 20 0 BEADHO C[NH2+]Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000650755229 410403034 /nfs/dbraw/zinc/40/30/34/410403034.db2.gz AEWGBRONGJPPCY-TYNCELHUSA-N 1 3 248.370 2.062 20 0 BEADHO C[C@@H](NCCC1CC[NH2+]CC1)c1cscn1 ZINC000650763201 410411831 /nfs/dbraw/zinc/41/18/31/410411831.db2.gz UPIOTDRIYYIWSM-SNVBAGLBSA-N 1 3 239.388 2.183 20 0 BEADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccco1 ZINC000650763853 410414176 /nfs/dbraw/zinc/41/41/76/410414176.db2.gz KSACJQGXJQBLLC-LLVKDONJSA-N 1 3 222.332 2.320 20 0 BEADHO CO[C@H](CN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283933 410674607 /nfs/dbraw/zinc/67/46/07/410674607.db2.gz BRSKJNDFRBRNLL-CABCVRRESA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@H](C[N@@H+]1CC[C@@](C)(CN)C1)c1ccccc1 ZINC000393283933 410674613 /nfs/dbraw/zinc/67/46/13/410674613.db2.gz BRSKJNDFRBRNLL-CABCVRRESA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@H](C[N@H+]1CC[C@@](C)(CN)C1)c1ccccc1 ZINC000393283933 410674620 /nfs/dbraw/zinc/67/46/20/410674620.db2.gz BRSKJNDFRBRNLL-CABCVRRESA-N 1 3 248.370 2.045 20 0 BEADHO CC[C@@H](C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665237983 410729812 /nfs/dbraw/zinc/72/98/12/410729812.db2.gz OAROAMBFAHULAA-FKJOKYEKSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1N[C@@H](C)C[NH2+]C ZINC000665296796 410814698 /nfs/dbraw/zinc/81/46/98/410814698.db2.gz XXEGZCPAEXCSSG-YVECIDJPSA-N 1 3 212.381 2.399 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000338299321 169775033 /nfs/dbraw/zinc/77/50/33/169775033.db2.gz ZGSLUHUTRDRJIO-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO c1ccc(CCCC[NH2+]C2CCNCC2)cc1 ZINC000040845525 410893041 /nfs/dbraw/zinc/89/30/41/410893041.db2.gz RWFXLTZFBUNZEK-UHFFFAOYSA-N 1 3 232.371 2.351 20 0 BEADHO CC(C)OCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127788258 167222988 /nfs/dbraw/zinc/22/29/88/167222988.db2.gz FOPUAUSBUNVECE-ZIAGYGMSSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127788258 167222991 /nfs/dbraw/zinc/22/29/91/167222991.db2.gz FOPUAUSBUNVECE-ZIAGYGMSSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OC[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000337344831 167255610 /nfs/dbraw/zinc/25/56/10/167255610.db2.gz ULTLOAQFPMQMCY-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)Oc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000342112498 167294603 /nfs/dbraw/zinc/29/46/03/167294603.db2.gz ADOKBCMTGZCUGV-UHFFFAOYSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCNCC1)[C@@H]1CC1(C)C ZINC000397752828 410934660 /nfs/dbraw/zinc/93/46/60/410934660.db2.gz CGYKLESZRGZHJH-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1CCCNC1)C(C)(C)C ZINC000162704064 487619832 /nfs/dbraw/zinc/61/98/32/487619832.db2.gz BRXXXKIFMIVWFQ-VXGBXAGGSA-N 1 3 212.381 2.258 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@H]1C[C@@H]1C ZINC000651865870 411148090 /nfs/dbraw/zinc/14/80/90/411148090.db2.gz KQLCMTSALPHJOK-QWHCGFSZSA-N 1 3 212.381 2.210 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655948835 411161072 /nfs/dbraw/zinc/16/10/72/411161072.db2.gz FRDLYCVHWGLLMY-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000655948835 411161075 /nfs/dbraw/zinc/16/10/75/411161075.db2.gz FRDLYCVHWGLLMY-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@H](c1ccncc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110643848 411113071 /nfs/dbraw/zinc/11/30/71/411113071.db2.gz OOFAFFHNQDKINQ-NWDGAFQWSA-N 1 3 233.359 2.202 20 0 BEADHO CC[C@]1(C)CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000652192598 411168849 /nfs/dbraw/zinc/16/88/49/411168849.db2.gz GDEMGRBUIHOPFH-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009878 411172900 /nfs/dbraw/zinc/17/29/00/411172900.db2.gz CIIKLEYYTBMOOL-GJZGRUSLSA-N 1 3 234.387 2.369 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009878 411172902 /nfs/dbraw/zinc/17/29/02/411172902.db2.gz CIIKLEYYTBMOOL-GJZGRUSLSA-N 1 3 234.387 2.369 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCSCC1)CN(C)C ZINC000658018449 411198930 /nfs/dbraw/zinc/19/89/30/411198930.db2.gz QSYPHZIEBYZAJB-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000656193731 411199318 /nfs/dbraw/zinc/19/93/18/411199318.db2.gz QSLCSFGWEBBFLN-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCNCC1 ZINC000656193731 411199320 /nfs/dbraw/zinc/19/93/20/411199320.db2.gz QSLCSFGWEBBFLN-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)n1 ZINC000656199180 411201766 /nfs/dbraw/zinc/20/17/66/411201766.db2.gz VIVVZQHGILHZEK-UKRRQHHQSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccc(CCCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656199180 411201768 /nfs/dbraw/zinc/20/17/68/411201768.db2.gz VIVVZQHGILHZEK-UKRRQHHQSA-N 1 3 247.386 2.182 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOC2CCCC2)C1 ZINC000656197213 411203131 /nfs/dbraw/zinc/20/31/31/411203131.db2.gz PMICIMVXDRFVPL-CHWSQXEVSA-N 1 3 240.391 2.195 20 0 BEADHO Cc1cnc(CCN[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000656200338 411203912 /nfs/dbraw/zinc/20/39/12/411203912.db2.gz LWEFXWQHSMUTQS-UONOGXRCSA-N 1 3 247.386 2.100 20 0 BEADHO CC1(C)[C@H](NCC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423306712 411238152 /nfs/dbraw/zinc/23/81/52/411238152.db2.gz UGPXSHLPFQSSGY-HUUCEWRRSA-N 1 3 244.382 2.378 20 0 BEADHO CC1(C)[C@H]([NH2+]CC2CNC2)C[C@@H]1c1ccccc1 ZINC000423306712 411238155 /nfs/dbraw/zinc/23/81/55/411238155.db2.gz UGPXSHLPFQSSGY-HUUCEWRRSA-N 1 3 244.382 2.378 20 0 BEADHO CCC[NH+]1CCC(NC[C@@]2(C)CC2(F)F)CC1 ZINC000658217898 411297687 /nfs/dbraw/zinc/29/76/87/411297687.db2.gz GEIAVCIFNCQDKL-GFCCVEGCSA-N 1 3 246.345 2.496 20 0 BEADHO C[C@H]1C[NH2+]C[C@H](NCC2CCCCC2)C1 ZINC000401784571 411330652 /nfs/dbraw/zinc/33/06/52/411330652.db2.gz YWAIDSPSSYKKGM-DGCLKSJQSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402980124 411324555 /nfs/dbraw/zinc/32/45/55/411324555.db2.gz HPHLQISGXQDDMM-AGIUHOORSA-N 1 3 210.365 2.093 20 0 BEADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402980124 411324557 /nfs/dbraw/zinc/32/45/57/411324557.db2.gz HPHLQISGXQDDMM-AGIUHOORSA-N 1 3 210.365 2.093 20 0 BEADHO CC[N@@H+]1CC[C@H](NCC2=CCCC2)[C@H](C)C1 ZINC000658292657 411325803 /nfs/dbraw/zinc/32/58/03/411325803.db2.gz FSUIYMCXJKBWPT-OCCSQVGLSA-N 1 3 222.376 2.417 20 0 BEADHO CC[N@H+]1CC[C@H](NCC2=CCCC2)[C@H](C)C1 ZINC000658292657 411325806 /nfs/dbraw/zinc/32/58/06/411325806.db2.gz FSUIYMCXJKBWPT-OCCSQVGLSA-N 1 3 222.376 2.417 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000656791878 411372945 /nfs/dbraw/zinc/37/29/45/411372945.db2.gz LPDYLVKAXOUIQJ-STQMWFEESA-N 1 3 230.371 2.431 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000656791878 411372947 /nfs/dbraw/zinc/37/29/47/411372947.db2.gz LPDYLVKAXOUIQJ-STQMWFEESA-N 1 3 230.371 2.431 20 0 BEADHO FC1(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782548 411359408 /nfs/dbraw/zinc/35/94/08/411359408.db2.gz HKGKKZPZPDNPCO-CYBMUJFWSA-N 1 3 240.366 2.200 20 0 BEADHO c1ccc([C@H]2CC[NH2+]C[C@H]2NCC2CC2)cc1 ZINC000656788991 411369151 /nfs/dbraw/zinc/36/91/51/411369151.db2.gz LTLGKQWDNHEVQI-HUUCEWRRSA-N 1 3 230.355 2.132 20 0 BEADHO CC1CCC(C[N@H+]2CC[C@H](N)[C@H](C)C2)CC1 ZINC000063145739 168153478 /nfs/dbraw/zinc/15/34/78/168153478.db2.gz MKTSOJLVKAKZHW-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(C[N@@H+]2CC[C@H](N)[C@H](C)C2)CC1 ZINC000063145739 168153477 /nfs/dbraw/zinc/15/34/77/168153477.db2.gz MKTSOJLVKAKZHW-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(CN2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000063145739 168153479 /nfs/dbraw/zinc/15/34/79/168153479.db2.gz MKTSOJLVKAKZHW-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(CN2CCC([NH3+])CC2)CC1 ZINC000063145710 168153982 /nfs/dbraw/zinc/15/39/82/168153982.db2.gz FIOGPFKVASGFMG-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CC1CCC(C[NH+]2CCC(N)CC2)CC1 ZINC000063145710 168153984 /nfs/dbraw/zinc/15/39/84/168153984.db2.gz FIOGPFKVASGFMG-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]CCCN1CCC(C)CC1 ZINC000336777965 168178868 /nfs/dbraw/zinc/17/88/68/168178868.db2.gz JZVDVVXEVOOXNL-KGLIPLIRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]CCCN1CCC(C)CC1 ZINC000336777966 168179849 /nfs/dbraw/zinc/17/98/49/168179849.db2.gz JZVDVVXEVOOXNL-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC1CCN(CCC[NH2+][C@@H]2CCSC2)CC1 ZINC000020146236 168179931 /nfs/dbraw/zinc/17/99/31/168179931.db2.gz MWLVSNJYNNDQRZ-CYBMUJFWSA-N 1 3 242.432 2.204 20 0 BEADHO CC1CC[NH+](CCCN[C@@H]2CCSC2)CC1 ZINC000020146236 168179932 /nfs/dbraw/zinc/17/99/32/168179932.db2.gz MWLVSNJYNNDQRZ-CYBMUJFWSA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404324970 411391020 /nfs/dbraw/zinc/39/10/20/411391020.db2.gz UFVNWHBLXICAMD-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404324970 411391022 /nfs/dbraw/zinc/39/10/22/411391022.db2.gz UFVNWHBLXICAMD-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO C[NH2+]CCCN1CCc2ccccc2[C@H](C)C1 ZINC000405004776 411413481 /nfs/dbraw/zinc/41/34/81/411413481.db2.gz JADAFVCSOCOAHA-CYBMUJFWSA-N 1 3 232.371 2.258 20 0 BEADHO Cc1ccc(C[NH2+][C@H](C)[C@H](C)N)c(C)c1 ZINC000415003692 411482208 /nfs/dbraw/zinc/48/22/08/411482208.db2.gz GKHYTSNAFJDDLL-NWDGAFQWSA-N 1 3 206.333 2.129 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660415641 411488764 /nfs/dbraw/zinc/48/87/64/411488764.db2.gz GTZHHYLCXBLCCI-XGUBFFRZSA-N 1 3 236.403 2.449 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660415641 411488766 /nfs/dbraw/zinc/48/87/66/411488766.db2.gz GTZHHYLCXBLCCI-XGUBFFRZSA-N 1 3 236.403 2.449 20 0 BEADHO Cc1ccc(NC2CC[NH2+]CC2)c(CN(C)C)c1 ZINC000415117469 411492427 /nfs/dbraw/zinc/49/24/27/411492427.db2.gz IRAGXPVSVGCZQG-UHFFFAOYSA-N 1 3 247.386 2.221 20 0 BEADHO CC(C)=CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000659925491 411500432 /nfs/dbraw/zinc/50/04/32/411500432.db2.gz JNSBHSZWIRWFEC-CYBMUJFWSA-N 1 3 210.365 2.226 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000655806904 411520499 /nfs/dbraw/zinc/52/04/99/411520499.db2.gz DIUILBUVPCFWHZ-SDDRHHMPSA-N 1 3 222.332 2.270 20 0 BEADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000655825649 411527307 /nfs/dbraw/zinc/52/73/07/411527307.db2.gz LLSSHZPRHNTSHM-AOOOYVTPSA-N 1 3 242.750 2.363 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009877 411527505 /nfs/dbraw/zinc/52/75/05/411527505.db2.gz CIIKLEYYTBMOOL-CABCVRRESA-N 1 3 234.387 2.369 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CC3CC=CC3)CC[C@@H]21 ZINC000660009877 411527507 /nfs/dbraw/zinc/52/75/07/411527507.db2.gz CIIKLEYYTBMOOL-CABCVRRESA-N 1 3 234.387 2.369 20 0 BEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2)[C@H](C)C1 ZINC000173363017 170011504 /nfs/dbraw/zinc/01/15/04/170011504.db2.gz ZRMUKUDKAOYBNI-IUODEOHRSA-N 1 3 248.370 2.212 20 0 BEADHO CC[N@@H+]1CC[C@H](CNCc2ccccc2C)C1 ZINC000037643769 170016309 /nfs/dbraw/zinc/01/63/09/170016309.db2.gz LLTJYSAZRBTBAZ-CQSZACIVSA-N 1 3 232.371 2.426 20 0 BEADHO CC[N@H+]1CC[C@H](CNCc2ccccc2C)C1 ZINC000037643769 170016310 /nfs/dbraw/zinc/01/63/10/170016310.db2.gz LLTJYSAZRBTBAZ-CQSZACIVSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000037643769 170016312 /nfs/dbraw/zinc/01/63/12/170016312.db2.gz LLTJYSAZRBTBAZ-CQSZACIVSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cnccc2C)C1 ZINC000271375133 170016512 /nfs/dbraw/zinc/01/65/12/170016512.db2.gz HKLJGFMTGFBFFR-UONOGXRCSA-N 1 3 247.386 2.382 20 0 BEADHO CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280490910 170040956 /nfs/dbraw/zinc/04/09/56/170040956.db2.gz QEWCPQVDZXGIBS-GASCZTMLSA-N 1 3 230.355 2.070 20 0 BEADHO CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280490910 170040957 /nfs/dbraw/zinc/04/09/57/170040957.db2.gz QEWCPQVDZXGIBS-GASCZTMLSA-N 1 3 230.355 2.070 20 0 BEADHO CCNCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042302684 170113439 /nfs/dbraw/zinc/11/34/39/170113439.db2.gz GIKOPQSOMMGUJO-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO CCNCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000042302684 170113441 /nfs/dbraw/zinc/11/34/41/170113441.db2.gz GIKOPQSOMMGUJO-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO CC[NH2+]CCNc1ccnc2ccccc21 ZINC000054267215 170116526 /nfs/dbraw/zinc/11/65/26/170116526.db2.gz IECOMIAXBCWXQA-UHFFFAOYSA-N 1 3 215.300 2.256 20 0 BEADHO Cc1cnccc1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000663378914 411642522 /nfs/dbraw/zinc/64/25/22/411642522.db2.gz JSCYXTNCYOKTGI-HNNXBMFYSA-N 1 3 247.386 2.344 20 0 BEADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657663454 411576570 /nfs/dbraw/zinc/57/65/70/411576570.db2.gz BOOHCBWMERGZBC-IJLUTSLNSA-N 1 3 244.329 2.248 20 0 BEADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1(F)F ZINC000657663454 411576572 /nfs/dbraw/zinc/57/65/72/411576572.db2.gz BOOHCBWMERGZBC-IJLUTSLNSA-N 1 3 244.329 2.248 20 0 BEADHO CC1(C)C[C@]1(C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657761395 411591491 /nfs/dbraw/zinc/59/14/91/411591491.db2.gz KAOBNEKQXWUZLL-DYEKYZERSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657761395 411591493 /nfs/dbraw/zinc/59/14/93/411591493.db2.gz KAOBNEKQXWUZLL-DYEKYZERSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000657761395 411591494 /nfs/dbraw/zinc/59/14/94/411591494.db2.gz KAOBNEKQXWUZLL-DYEKYZERSA-N 1 3 222.376 2.391 20 0 BEADHO c1coc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000657781640 411597646 /nfs/dbraw/zinc/59/76/46/411597646.db2.gz FOAJYVQJXKACJN-KGLIPLIRSA-N 1 3 248.370 2.429 20 0 BEADHO c1coc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000657781640 411597647 /nfs/dbraw/zinc/59/76/47/411597647.db2.gz FOAJYVQJXKACJN-KGLIPLIRSA-N 1 3 248.370 2.429 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657843495 411610390 /nfs/dbraw/zinc/61/03/90/411610390.db2.gz ZDNNABBLQLFZOC-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO Cc1cccc([C@@H](C)N(C)CCC[NH3+])c1 ZINC000133229180 411659675 /nfs/dbraw/zinc/65/96/75/411659675.db2.gz HVCXCHZUDZNISP-GFCCVEGCSA-N 1 3 206.333 2.337 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663497533 411679153 /nfs/dbraw/zinc/67/91/53/411679153.db2.gz GYOFFOUOLLGJNO-HWOWSKLDSA-N 1 3 244.382 2.349 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H](C2CC2)C1 ZINC000663509285 411691375 /nfs/dbraw/zinc/69/13/75/411691375.db2.gz IQJWPNRHMBRXDP-DRZSPHRISA-N 1 3 210.365 2.153 20 0 BEADHO C[NH2+]C[C@H](C)NCC1CCC(C)(C)CC1 ZINC000663509446 411691753 /nfs/dbraw/zinc/69/17/53/411691753.db2.gz KTQXVWTXKMFVNE-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000663514764 411694822 /nfs/dbraw/zinc/69/48/22/411694822.db2.gz SUETUBSAYQSNEW-SDDRHHMPSA-N 1 3 212.381 2.399 20 0 BEADHO CCN1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1C ZINC000663743532 411736311 /nfs/dbraw/zinc/73/63/11/411736311.db2.gz BVHGHDBJOSZZDY-LLVKDONJSA-N 1 3 244.342 2.093 20 0 BEADHO C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)C[C@H](C)N1C ZINC000663943185 411784649 /nfs/dbraw/zinc/78/46/49/411784649.db2.gz WZLKRRYQQMVJBN-PHIMTYICSA-N 1 3 244.342 2.092 20 0 BEADHO CC[N@H+]1C[C@H](Nc2nccc3[nH]ccc32)[C@@H](C)C1 ZINC000663708323 411727617 /nfs/dbraw/zinc/72/76/17/411727617.db2.gz NNJPTBKOJIQMLC-GWCFXTLKSA-N 1 3 244.342 2.315 20 0 BEADHO CC[N@@H+]1C[C@H](Nc2nccc3[nH]ccc32)[C@@H](C)C1 ZINC000663708323 411727623 /nfs/dbraw/zinc/72/76/23/411727623.db2.gz NNJPTBKOJIQMLC-GWCFXTLKSA-N 1 3 244.342 2.315 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000221516521 487621132 /nfs/dbraw/zinc/62/11/32/487621132.db2.gz RXFKURYNWJQPFN-NEPJUHHUSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000221516521 487621134 /nfs/dbraw/zinc/62/11/34/487621134.db2.gz RXFKURYNWJQPFN-NEPJUHHUSA-N 1 3 212.381 2.210 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCCC2CCC2)C1 ZINC000662237862 412035012 /nfs/dbraw/zinc/03/50/12/412035012.db2.gz KYTDOXPGTDZRDJ-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662245507 412041948 /nfs/dbraw/zinc/04/19/48/412041948.db2.gz RTNWMUKWTVGKCO-HBNTYKKESA-N 1 3 234.334 2.337 20 0 BEADHO CO[C@@H](CN(C)CC[C@H]([NH3+])C(C)C)C1CCC1 ZINC000662248032 412046430 /nfs/dbraw/zinc/04/64/30/412046430.db2.gz RFBVAEXMZFUHHX-KBPBESRZSA-N 1 3 242.407 2.107 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN(CC)CC ZINC000336747097 171059635 /nfs/dbraw/zinc/05/96/35/171059635.db2.gz BTAQXWULSKWFFV-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](CC(F)F)CN1CCC(C)([NH3+])CC1 ZINC000662271231 412062349 /nfs/dbraw/zinc/06/23/49/412062349.db2.gz UFBAGWUEOLWAIR-JTQLQIEISA-N 1 3 234.334 2.481 20 0 BEADHO CO[C@@H](C[N@@H+]1CCCC[C@@H]1CCN)C1CCC1 ZINC000662272586 412062726 /nfs/dbraw/zinc/06/27/26/412062726.db2.gz GVECBOWEVMPQIZ-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO CO[C@@H](C[N@H+]1CCCC[C@@H]1CCN)C1CCC1 ZINC000662272586 412062729 /nfs/dbraw/zinc/06/27/29/412062729.db2.gz GVECBOWEVMPQIZ-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@H](CC(F)F)CN1CCC(C)([NH3+])CC1 ZINC000662271232 412063464 /nfs/dbraw/zinc/06/34/64/412063464.db2.gz UFBAGWUEOLWAIR-SNVBAGLBSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281972 412072698 /nfs/dbraw/zinc/07/26/98/412072698.db2.gz AHOSPJDAPAEIIT-YRGRVCCFSA-N 1 3 222.376 2.258 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281972 412072702 /nfs/dbraw/zinc/07/27/02/412072702.db2.gz AHOSPJDAPAEIIT-YRGRVCCFSA-N 1 3 222.376 2.258 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000662283639 412076175 /nfs/dbraw/zinc/07/61/75/412076175.db2.gz CENWYDDRBXYXAI-AICCOOGYSA-N 1 3 234.387 2.093 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000662283639 412076177 /nfs/dbraw/zinc/07/61/77/412076177.db2.gz CENWYDDRBXYXAI-AICCOOGYSA-N 1 3 234.387 2.093 20 0 BEADHO CC[C@H](C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335620316 171281357 /nfs/dbraw/zinc/28/13/57/171281357.db2.gz XHUTXWDLBGKIBQ-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071322 171284999 /nfs/dbraw/zinc/28/49/99/171284999.db2.gz WFBMQJABEYOHOQ-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336681990 171364614 /nfs/dbraw/zinc/36/46/14/171364614.db2.gz HZZLKXLCXJBUOL-GRYCIOLGSA-N 1 3 200.370 2.208 20 0 BEADHO C[C@H]([NH3+])CN1CC[C@H](C2CCCCC2)C1 ZINC000662305361 412091546 /nfs/dbraw/zinc/09/15/46/412091546.db2.gz GFAUVCRMZADUSQ-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO CCC(C)(C)CCN1CC2CC1(C[NH3+])C2 ZINC000662305247 412091836 /nfs/dbraw/zinc/09/18/36/412091836.db2.gz FVQRFSDAWIDFIB-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319933 412098597 /nfs/dbraw/zinc/09/85/97/412098597.db2.gz QWXRRTRVUVYXFJ-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO NCCC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662319953 412100758 /nfs/dbraw/zinc/10/07/58/412100758.db2.gz RFLPLXHPWOOUDO-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO NCCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662319953 412100762 /nfs/dbraw/zinc/10/07/62/412100762.db2.gz RFLPLXHPWOOUDO-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO Cc1ccncc1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000665239752 412181006 /nfs/dbraw/zinc/18/10/06/412181006.db2.gz YNVZVJKNOIVKDU-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H](NC1CCC(C[NH3+])CC1)c1cscn1 ZINC000665240723 412182593 /nfs/dbraw/zinc/18/25/93/412182593.db2.gz REVHKUBRQYPDQG-WHXUTIOJSA-N 1 3 239.388 2.311 20 0 BEADHO Cc1ccc(CCN[C@H](C)C2C[NH2+]C2)cc1C ZINC000665245437 412189734 /nfs/dbraw/zinc/18/97/34/412189734.db2.gz IWYFFTRHDMHQLK-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO Cc1ccc(CC[NH2+][C@H](C)C2CNC2)cc1C ZINC000665245437 412189736 /nfs/dbraw/zinc/18/97/36/412189736.db2.gz IWYFFTRHDMHQLK-CYBMUJFWSA-N 1 3 232.371 2.043 20 0 BEADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccoc1 ZINC000665262277 412206087 /nfs/dbraw/zinc/20/60/87/412206087.db2.gz XWDQSOBEVWTHIV-QWHCGFSZSA-N 1 3 222.332 2.072 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1(F)F ZINC000665265731 412208521 /nfs/dbraw/zinc/20/85/21/412208521.db2.gz ZWTYMEJWXRNBAJ-GMTAPVOTSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1(F)F ZINC000665265733 412209557 /nfs/dbraw/zinc/20/95/57/412209557.db2.gz ZWTYMEJWXRNBAJ-HBNTYKKESA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)c1ccccn1 ZINC000665232385 412169838 /nfs/dbraw/zinc/16/98/38/412169838.db2.gz MBXAMWFBBYHHHM-UMVBOHGHSA-N 1 3 247.386 2.292 20 0 BEADHO C[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccccn1 ZINC000665231992 412170638 /nfs/dbraw/zinc/17/06/38/412170638.db2.gz CUYRDYAHPXDTEG-IPYPFGDCSA-N 1 3 247.386 2.435 20 0 BEADHO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CNC1 ZINC000665274640 412216843 /nfs/dbraw/zinc/21/68/43/412216843.db2.gz UZVJAURCWXXQPA-OIKLOGQESA-N 1 3 244.329 2.152 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)C(C)C ZINC000665279869 412223687 /nfs/dbraw/zinc/22/36/87/412223687.db2.gz NWPFVDHAINALBO-NEPJUHHUSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000665282085 412226527 /nfs/dbraw/zinc/22/65/27/412226527.db2.gz QJFHUQAWZXLAMJ-SDDRHHMPSA-N 1 3 212.381 2.384 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000665282082 412226801 /nfs/dbraw/zinc/22/68/01/412226801.db2.gz QJFHUQAWZXLAMJ-GRYCIOLGSA-N 1 3 212.381 2.384 20 0 BEADHO c1coc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000665283685 412228665 /nfs/dbraw/zinc/22/86/65/412228665.db2.gz SCZGUYIBIWWPHH-FUNVUKJBSA-N 1 3 234.343 2.085 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCCC12CCCC2 ZINC000665297305 412245135 /nfs/dbraw/zinc/24/51/35/412245135.db2.gz CXDBMLQYHYSNBZ-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC[C@H](C)[C@H](C)N[C@H](C)C[NH2+]C ZINC000665298327 412246270 /nfs/dbraw/zinc/24/62/70/412246270.db2.gz UWDGMWCUQCGJMZ-TUAOUCFPSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C1CNC1 ZINC000665300637 412249292 /nfs/dbraw/zinc/24/92/92/412249292.db2.gz GSXKNLBKSPBEGF-QMMMGPOBSA-N 1 3 238.297 2.163 20 0 BEADHO CN1CCC2(CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000336528528 173002991 /nfs/dbraw/zinc/00/29/91/173002991.db2.gz HLDCTWHRXKGQFP-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO CN1CCC2(CCC[N@H+]2Cc2cccnc2)CC1 ZINC000336528528 173002992 /nfs/dbraw/zinc/00/29/92/173002992.db2.gz HLDCTWHRXKGQFP-UHFFFAOYSA-N 1 3 245.370 2.142 20 0 BEADHO C[N@@H+]1CCCC[C@H]1CCN[C@H]1CCOC1(C)C ZINC000328278710 173007967 /nfs/dbraw/zinc/00/79/67/173007967.db2.gz YSBNICBXVQCCNC-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CCCC[C@H]1CCN[C@H]1CCOC1(C)C ZINC000328278710 173007970 /nfs/dbraw/zinc/00/79/70/173007970.db2.gz YSBNICBXVQCCNC-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccco2)[C@@H]2CCC[C@H]21 ZINC000353432133 173153161 /nfs/dbraw/zinc/15/31/61/173153161.db2.gz AQNCMAZFNAOPQE-SOUVJXGZSA-N 1 3 248.370 2.285 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccco2)[C@@H]2CCC[C@H]21 ZINC000353432133 173153163 /nfs/dbraw/zinc/15/31/63/173153163.db2.gz AQNCMAZFNAOPQE-SOUVJXGZSA-N 1 3 248.370 2.285 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@@H]21 ZINC000340525613 173153973 /nfs/dbraw/zinc/15/39/73/173153973.db2.gz WVMNOXKPDVJCNZ-YHQUGGNUSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@@H]21 ZINC000340525613 173153976 /nfs/dbraw/zinc/15/39/76/173153976.db2.gz WVMNOXKPDVJCNZ-YHQUGGNUSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@@H]21 ZINC000340525613 173153978 /nfs/dbraw/zinc/15/39/78/173153978.db2.gz WVMNOXKPDVJCNZ-YHQUGGNUSA-N 1 3 240.366 2.339 20 0 BEADHO C[NH2+]CCC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000070188721 173343170 /nfs/dbraw/zinc/34/31/70/173343170.db2.gz OEGKDJBJIOKHNH-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO C[NH2+]CCC1CCN([C@H](C)c2ccccn2)CC1 ZINC000070188878 173343228 /nfs/dbraw/zinc/34/32/28/173343228.db2.gz QKPOKHIBVZRRHM-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO CNC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000040601051 173378765 /nfs/dbraw/zinc/37/87/65/173378765.db2.gz SJLPYUCFNUVRSH-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000040601051 173378768 /nfs/dbraw/zinc/37/87/68/173378768.db2.gz SJLPYUCFNUVRSH-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCC(C)(C)C)C1 ZINC000040601051 173378769 /nfs/dbraw/zinc/37/87/69/173378769.db2.gz SJLPYUCFNUVRSH-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]C[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC000071142629 173382250 /nfs/dbraw/zinc/38/22/50/173382250.db2.gz XEUIYDIGGZWCKR-CQSZACIVSA-N 1 3 232.371 2.345 20 0 BEADHO COc1ccc([C@H](C)NCCCC[NH3+])c(F)c1 ZINC000037715474 175188082 /nfs/dbraw/zinc/18/80/82/175188082.db2.gz FOLDODUAWYQDJC-JTQLQIEISA-N 1 3 240.322 2.224 20 0 BEADHO COc1ccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000160097011 175190314 /nfs/dbraw/zinc/19/03/14/175190314.db2.gz IVPAUBUHIADKKF-WHOFXGATSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H](CN)C[NH2+]CC1CCC(C)(C)CC1 ZINC000308930768 175708161 /nfs/dbraw/zinc/70/81/61/175708161.db2.gz RFDALGBCLHKUAW-NSHDSACASA-N 1 3 212.381 2.387 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2sccc21 ZINC000308976458 175708415 /nfs/dbraw/zinc/70/84/15/175708415.db2.gz IPUOYGCWHAPBCK-GXSJLCMTSA-N 1 3 224.373 2.310 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCCN2)C1 ZINC000235298540 176118861 /nfs/dbraw/zinc/11/88/61/176118861.db2.gz AJHJJCDWPYBIEO-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000309153729 176131199 /nfs/dbraw/zinc/13/11/99/176131199.db2.gz WZBDZGKDNVMHTC-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309769223 176143154 /nfs/dbraw/zinc/14/31/54/176143154.db2.gz KCHPGNKXHCYYBZ-OCCSQVGLSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000222918571 176145056 /nfs/dbraw/zinc/14/50/56/176145056.db2.gz BWEDVWQSUBGHHW-FVCCEPFGSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000129452207 176212832 /nfs/dbraw/zinc/21/28/32/176212832.db2.gz GKFHYUGQQKIDFD-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CSC1(C)C ZINC000309823377 176278061 /nfs/dbraw/zinc/27/80/61/176278061.db2.gz WVTQGNGZADXBRE-WISYIIOYSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CSC1(C)C ZINC000309823377 176278062 /nfs/dbraw/zinc/27/80/62/176278062.db2.gz WVTQGNGZADXBRE-WISYIIOYSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CSC[C@H]1C)CN1CCCC1 ZINC000304500479 176355495 /nfs/dbraw/zinc/35/54/95/176355495.db2.gz NFHKQLWMICYMIO-JHJVBQTASA-N 1 3 242.432 2.059 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2C)CC[C@@H]1N ZINC000042864366 177085097 /nfs/dbraw/zinc/08/50/97/177085097.db2.gz FSQXNGIFBWULKA-CRWXNKLISA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2C)CC[C@@H]1N ZINC000042864366 177085100 /nfs/dbraw/zinc/08/51/00/177085100.db2.gz FSQXNGIFBWULKA-CRWXNKLISA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1CCC[C@@H](C[NH2+]C2CCNCC2)C1 ZINC000235606236 177119497 /nfs/dbraw/zinc/11/94/97/177119497.db2.gz AZNKFFCOWTVZBM-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335604326 177126077 /nfs/dbraw/zinc/12/60/77/177126077.db2.gz WYQKMICPHZGGRJ-AAEUAGOBSA-N 1 3 208.349 2.027 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccccc1 ZINC000275296912 177234708 /nfs/dbraw/zinc/23/47/08/177234708.db2.gz PMTQEFRTNMTHJU-DZGCQCFKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccccc1 ZINC000275296912 177234709 /nfs/dbraw/zinc/23/47/09/177234709.db2.gz PMTQEFRTNMTHJU-DZGCQCFKSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)C1 ZINC000227055034 177259476 /nfs/dbraw/zinc/25/94/76/177259476.db2.gz ILBOPLDSZVRMND-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N)[C@@H](C)C2)C1 ZINC000227055034 177259478 /nfs/dbraw/zinc/25/94/78/177259478.db2.gz ILBOPLDSZVRMND-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000227055034 177259479 /nfs/dbraw/zinc/25/94/79/177259479.db2.gz ILBOPLDSZVRMND-ZOBORPQBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccco1 ZINC000036908630 177332490 /nfs/dbraw/zinc/33/24/90/177332490.db2.gz WUWZQZXYEXMLPH-MBNYWOFBSA-N 1 3 236.359 2.140 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccco1 ZINC000036908630 177332491 /nfs/dbraw/zinc/33/24/91/177332491.db2.gz WUWZQZXYEXMLPH-MBNYWOFBSA-N 1 3 236.359 2.140 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC1CC(F)(F)C1 ZINC000336781420 177369746 /nfs/dbraw/zinc/36/97/46/177369746.db2.gz UPZKXKVCIPUXBL-YWVKMMECSA-N 1 3 232.318 2.102 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC(F)(F)C1 ZINC000336781420 177369748 /nfs/dbraw/zinc/36/97/48/177369748.db2.gz UPZKXKVCIPUXBL-YWVKMMECSA-N 1 3 232.318 2.102 20 0 BEADHO C[C@H]1C[C@H](NCCc2ccccc2O)CC[N@@H+]1C ZINC000154920069 177370142 /nfs/dbraw/zinc/37/01/42/177370142.db2.gz IHAAYCHBXCUWIN-GXTWGEPZSA-N 1 3 248.370 2.007 20 0 BEADHO C[C@H]1C[C@H](NCCc2ccccc2O)CC[N@H+]1C ZINC000154920069 177370143 /nfs/dbraw/zinc/37/01/43/177370143.db2.gz IHAAYCHBXCUWIN-GXTWGEPZSA-N 1 3 248.370 2.007 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccco1 ZINC000036908628 177370504 /nfs/dbraw/zinc/37/05/04/177370504.db2.gz WUWZQZXYEXMLPH-DYEKYZERSA-N 1 3 236.359 2.140 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccco1 ZINC000036908628 177370506 /nfs/dbraw/zinc/37/05/06/177370506.db2.gz WUWZQZXYEXMLPH-DYEKYZERSA-N 1 3 236.359 2.140 20 0 BEADHO CC(C)C[C@H](C)[NH2+]CCCNC(C)C ZINC000238177385 487638407 /nfs/dbraw/zinc/63/84/07/487638407.db2.gz XSKRJKIGPIICNC-LBPRGKRZSA-N 1 3 200.370 2.399 20 0 BEADHO CC(C)OC[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000669680746 487644102 /nfs/dbraw/zinc/64/41/02/487644102.db2.gz HYWARZBBPNYRDY-KBPBESRZSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000669680746 487644108 /nfs/dbraw/zinc/64/41/08/487644108.db2.gz HYWARZBBPNYRDY-KBPBESRZSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)OC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000669680746 487644112 /nfs/dbraw/zinc/64/41/12/487644112.db2.gz HYWARZBBPNYRDY-KBPBESRZSA-N 1 3 242.407 2.120 20 0 BEADHO CCC[NH+]1CCC(N[C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000666227570 487648359 /nfs/dbraw/zinc/64/83/59/487648359.db2.gz OOLXVPJXBGIWDE-CMPLNLGQSA-N 1 3 246.345 2.494 20 0 BEADHO CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000666227571 487648042 /nfs/dbraw/zinc/64/80/42/487648042.db2.gz OOLXVPJXBGIWDE-JQWIXIFHSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]CC[C@@H](C)N(C)C ZINC000895295056 583638793 /nfs/dbraw/zinc/63/87/93/583638793.db2.gz ZTSJIXVTSDUAKX-VXGBXAGGSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000307576058 229216395 /nfs/dbraw/zinc/21/63/95/229216395.db2.gz LWVSSRANZONVSB-NFAWXSAZSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1CN ZINC000307576058 229216401 /nfs/dbraw/zinc/21/64/01/229216401.db2.gz LWVSSRANZONVSB-NFAWXSAZSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1CN ZINC000307576058 229216407 /nfs/dbraw/zinc/21/64/07/229216407.db2.gz LWVSSRANZONVSB-NFAWXSAZSA-N 1 3 232.371 2.492 20 0 BEADHO CN1CC[C@@H]([NH2+]C/C=C/Cl)CC1(C)C ZINC000898430117 584134684 /nfs/dbraw/zinc/13/46/84/584134684.db2.gz UXAMDJMOODIHSP-DFVUYQKZSA-N 1 3 216.756 2.201 20 0 BEADHO CNC[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC000414838091 487693250 /nfs/dbraw/zinc/69/32/50/487693250.db2.gz KUBAAHHJLKPTTM-GFCCVEGCSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@@H](NCC1(C2CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000395242250 262784942 /nfs/dbraw/zinc/78/49/42/262784942.db2.gz YZHOSIWCXBQMMU-DGCLKSJQSA-N 1 3 222.376 2.297 20 0 BEADHO C(NC(C1CCC1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000324982887 262798827 /nfs/dbraw/zinc/79/88/27/262798827.db2.gz TWWRIUQSPRLIAX-ZDUSSCGKSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+]C(C1CCC1)C1CCC1)[C@@H]1CCCN1 ZINC000324982887 262798828 /nfs/dbraw/zinc/79/88/28/262798828.db2.gz TWWRIUQSPRLIAX-ZDUSSCGKSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@H]1CC1(C)C ZINC000397789622 262933974 /nfs/dbraw/zinc/93/39/74/262933974.db2.gz KSYJMSKCIOUJTN-SDDRHHMPSA-N 1 3 210.365 2.010 20 0 BEADHO FC(F)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000681112204 487730797 /nfs/dbraw/zinc/73/07/97/487730797.db2.gz BTCWWZWMLVIQLK-RSJDFQLWSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000681112204 487730804 /nfs/dbraw/zinc/73/08/04/487730804.db2.gz BTCWWZWMLVIQLK-RSJDFQLWSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000681112204 487730812 /nfs/dbraw/zinc/73/08/12/487730812.db2.gz BTCWWZWMLVIQLK-RSJDFQLWSA-N 1 3 244.329 2.247 20 0 BEADHO NCCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000414713967 487819281 /nfs/dbraw/zinc/81/92/81/487819281.db2.gz PQXKGWPEVICPHL-UHFFFAOYSA-N 1 3 232.371 2.480 20 0 BEADHO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCN ZINC000414751414 487821638 /nfs/dbraw/zinc/82/16/38/487821638.db2.gz AKUZWHAUYDJRTF-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCN ZINC000414751414 487821646 /nfs/dbraw/zinc/82/16/46/487821646.db2.gz AKUZWHAUYDJRTF-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO CCCC[C@H](CC)CCN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415036768 487834366 /nfs/dbraw/zinc/83/43/66/487834366.db2.gz MEQYHDNBIDADEE-IGQOVBAYSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000379843827 487850103 /nfs/dbraw/zinc/85/01/03/487850103.db2.gz HFXMNSHQBYBXMC-STQMWFEESA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000379843827 487850106 /nfs/dbraw/zinc/85/01/06/487850106.db2.gz HFXMNSHQBYBXMC-STQMWFEESA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000666853958 487872656 /nfs/dbraw/zinc/87/26/56/487872656.db2.gz UKPMHOYIKAJRCI-KGYLQXTDSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H](CC[NH3+])NCc1cccc2cnccc21 ZINC000666832350 487887892 /nfs/dbraw/zinc/88/78/92/487887892.db2.gz SSNIBZFCNGXSQA-LLVKDONJSA-N 1 3 229.327 2.062 20 0 BEADHO N[C@H](C[NH2+]Cc1cccc2cnccc21)C1CC1 ZINC000666834236 487888375 /nfs/dbraw/zinc/88/83/75/487888375.db2.gz HZJZFGPBBLFNRI-OAHLLOKOSA-N 1 3 241.338 2.062 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCNCC1 ZINC000666858969 487891826 /nfs/dbraw/zinc/89/18/26/487891826.db2.gz PVIMAQWVTCHRCK-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCN[C@H](C)C1)C(C)(C)C ZINC000666874262 487895527 /nfs/dbraw/zinc/89/55/27/487895527.db2.gz VZACDGQTFBRLQF-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000666880448 487896101 /nfs/dbraw/zinc/89/61/01/487896101.db2.gz NCSSKPYCEMXRIP-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H](C)N ZINC000666930298 487907837 /nfs/dbraw/zinc/90/78/37/487907837.db2.gz XOWHVBIZEXKWFP-WDEREUQCSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@H](CN[C@H]1CCCC[NH2+]C1)C(C)(C)C ZINC000666993002 487923596 /nfs/dbraw/zinc/92/35/96/487923596.db2.gz UHBUHGDJSUZWQO-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995393 487924527 /nfs/dbraw/zinc/92/45/27/487924527.db2.gz MTKUJDDFJCPDBK-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995573 487924584 /nfs/dbraw/zinc/92/45/84/487924584.db2.gz SHPPVWJEGYJTOH-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995621 487924674 /nfs/dbraw/zinc/92/46/74/487924674.db2.gz UJYWVKGVSCKPLI-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C1CC2(C1)C[C@@H]([NH2+][C@@H]1CCCSC1)CCN2 ZINC000666995663 487925182 /nfs/dbraw/zinc/92/51/82/487925182.db2.gz VPUHEODVETWDBB-NWDGAFQWSA-N 1 3 240.416 2.146 20 0 BEADHO C1CC2(C1)C[C@@H](N[C@@H]1CCCSC1)CC[NH2+]2 ZINC000666995663 487925185 /nfs/dbraw/zinc/92/51/85/487925185.db2.gz VPUHEODVETWDBB-NWDGAFQWSA-N 1 3 240.416 2.146 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CC[C@H](C2CCC2)C1 ZINC000667060727 487935829 /nfs/dbraw/zinc/93/58/29/487935829.db2.gz HZIYSMVTKOUQFW-KBPBESRZSA-N 1 3 224.392 2.482 20 0 BEADHO CCNCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000569566731 322970372 /nfs/dbraw/zinc/97/03/72/322970372.db2.gz YCRKMSKFPDCVOF-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCN1 ZINC000403479373 323030817 /nfs/dbraw/zinc/03/08/17/323030817.db2.gz RGDGSGAFINLVGS-ZSLBOAEBSA-N 1 3 222.376 2.153 20 0 BEADHO CCC([NH3+])(CC)CN[C@H]1CCC12CCOCC2 ZINC000562955748 323034834 /nfs/dbraw/zinc/03/48/34/323034834.db2.gz KMSQQBUOVBVNOA-LBPRGKRZSA-N 1 3 240.391 2.053 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CNC ZINC000562956121 323034984 /nfs/dbraw/zinc/03/49/84/323034984.db2.gz GUHFQKHMQXIKHB-GHMZBOCLSA-N 1 3 200.370 2.256 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccsc1 ZINC000570183452 323052076 /nfs/dbraw/zinc/05/20/76/323052076.db2.gz KJLVMLCYTRRWHO-GHMZBOCLSA-N 1 3 226.389 2.124 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccsc1 ZINC000570183454 323052141 /nfs/dbraw/zinc/05/21/41/323052141.db2.gz KJLVMLCYTRRWHO-QWRGUYRKSA-N 1 3 226.389 2.124 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000570562621 323063193 /nfs/dbraw/zinc/06/31/93/323063193.db2.gz HYLGVVWJPCIRHO-KGLIPLIRSA-N 1 3 224.392 2.400 20 0 BEADHO CO[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000570815678 323071466 /nfs/dbraw/zinc/07/14/66/323071466.db2.gz CZRAQCQUOVNNMP-SOUVJXGZSA-N 1 3 248.370 2.234 20 0 BEADHO Cc1ccc(CN[C@H](C)CCCC[NH3+])nc1C ZINC000314200225 323080663 /nfs/dbraw/zinc/08/06/63/323080663.db2.gz RBOLJJIDCORJLV-GFCCVEGCSA-N 1 3 235.375 2.306 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CN1CCCC1 ZINC000408510381 323120507 /nfs/dbraw/zinc/12/05/07/323120507.db2.gz NFIWDWRFZSIXOJ-XQLPTFJDSA-N 1 3 236.403 2.497 20 0 BEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563430468 323125092 /nfs/dbraw/zinc/12/50/92/323125092.db2.gz CKHSPLSZLODUBH-LNSITVRQSA-N 1 3 245.370 2.116 20 0 BEADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000563430469 323125095 /nfs/dbraw/zinc/12/50/95/323125095.db2.gz CKHSPLSZLODUBH-WHOFXGATSA-N 1 3 245.370 2.116 20 0 BEADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc(C)n1 ZINC000571462087 323145472 /nfs/dbraw/zinc/14/54/72/323145472.db2.gz PIBSKGOGBVGHSO-KGLIPLIRSA-N 1 3 233.359 2.058 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCc2ccccc2C1 ZINC000414942549 323152156 /nfs/dbraw/zinc/15/21/56/323152156.db2.gz ZQPCSQGWLSROGD-WQVCFCJDSA-N 1 3 244.382 2.132 20 0 BEADHO CCC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)OCC ZINC000530214339 323216472 /nfs/dbraw/zinc/21/64/72/323216472.db2.gz XXNLDLBVCMBSHV-YNEHKIRRSA-N 1 3 228.380 2.051 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530213642 323216805 /nfs/dbraw/zinc/21/68/05/323216805.db2.gz BDLUIHJXGPSYNB-QWHCGFSZSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC1 ZINC000530213642 323216806 /nfs/dbraw/zinc/21/68/06/323216806.db2.gz BDLUIHJXGPSYNB-QWHCGFSZSA-N 1 3 222.376 2.439 20 0 BEADHO C1CC1[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCC1 ZINC000530214821 323216839 /nfs/dbraw/zinc/21/68/39/323216839.db2.gz CYWFIGSNQIGHJP-KGLIPLIRSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530214821 323216840 /nfs/dbraw/zinc/21/68/40/323216840.db2.gz CYWFIGSNQIGHJP-KGLIPLIRSA-N 1 3 234.387 2.439 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000530217072 323217161 /nfs/dbraw/zinc/21/71/61/323217161.db2.gz FCFVPJNMQIDJIK-IHRRRGAJSA-N 1 3 222.376 2.450 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCC1 ZINC000324921615 323304118 /nfs/dbraw/zinc/30/41/18/323304118.db2.gz LLTHUWYZQWHDTO-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)C1CCC1 ZINC000324921612 323304128 /nfs/dbraw/zinc/30/41/28/323304128.db2.gz LLTHUWYZQWHDTO-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCC1 ZINC000324921614 323304245 /nfs/dbraw/zinc/30/42/45/323304245.db2.gz LLTHUWYZQWHDTO-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO COc1ccc(C2CCN(CCC[NH3+])CC2)cc1 ZINC000057537241 323927397 /nfs/dbraw/zinc/92/73/97/323927397.db2.gz CGYYKBDNCDONIE-UHFFFAOYSA-N 1 3 248.370 2.223 20 0 BEADHO FCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000304297948 324199535 /nfs/dbraw/zinc/19/95/35/324199535.db2.gz ZXUDQOOKNJUUQR-YNEHKIRRSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000304297948 324199541 /nfs/dbraw/zinc/19/95/41/324199541.db2.gz ZXUDQOOKNJUUQR-YNEHKIRRSA-N 1 3 228.355 2.246 20 0 BEADHO CC[C@@H](COC)NC1CC[NH+](CC(C)C)CC1 ZINC000131229589 325127501 /nfs/dbraw/zinc/12/75/01/325127501.db2.gz ALFCFZCVQAYHNG-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000133751354 325315955 /nfs/dbraw/zinc/31/59/55/325315955.db2.gz MNLBAAQZLANUKR-SDDRHHMPSA-N 1 3 230.421 2.378 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000566087902 325991515 /nfs/dbraw/zinc/99/15/15/325991515.db2.gz BVLZTMQSMZWHCK-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000566985645 326100239 /nfs/dbraw/zinc/10/02/39/326100239.db2.gz RZQQOUHDJQAYKQ-KGLIPLIRSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccnc1CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566985645 326100241 /nfs/dbraw/zinc/10/02/41/326100241.db2.gz RZQQOUHDJQAYKQ-KGLIPLIRSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000566985644 326100354 /nfs/dbraw/zinc/10/03/54/326100354.db2.gz RZQQOUHDJQAYKQ-KBPBESRZSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccnc1CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000566985644 326100356 /nfs/dbraw/zinc/10/03/56/326100356.db2.gz RZQQOUHDJQAYKQ-KBPBESRZSA-N 1 3 247.386 2.182 20 0 BEADHO CCc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000567041237 326105233 /nfs/dbraw/zinc/10/52/33/326105233.db2.gz FZVOZVSGGIIDSC-RYUDHWBXSA-N 1 3 220.360 2.464 20 0 BEADHO CC1(C)CC(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000567462601 326197539 /nfs/dbraw/zinc/19/75/39/326197539.db2.gz STWWWGOVHPNEFR-FUNVUKJBSA-N 1 3 222.376 2.295 20 0 BEADHO COC[C@@H](CC(C)C)NCCC[NH2+]C(C)C ZINC000567490169 326203908 /nfs/dbraw/zinc/20/39/08/326203908.db2.gz XCCYQIAQUTZIRV-CYBMUJFWSA-N 1 3 230.396 2.025 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cn1 ZINC000567889956 326276982 /nfs/dbraw/zinc/27/69/82/326276982.db2.gz OPVDTGUHLRFPOT-LSDHHAIUSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCC12CC2)CN(C)C ZINC000568277318 326340109 /nfs/dbraw/zinc/34/01/09/326340109.db2.gz VNFQAFWJGBKORS-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1CCC[C@H]([NH2+]CCOCCN(C)C)CC1 ZINC000235582243 487987393 /nfs/dbraw/zinc/98/73/93/487987393.db2.gz ZEQBXCGKKDZRQM-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)[C@@H]1C ZINC000663497081 488045777 /nfs/dbraw/zinc/04/57/77/488045777.db2.gz BDMVKBJVQPCNAQ-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)[C@@H]1C ZINC000663497081 488045783 /nfs/dbraw/zinc/04/57/83/488045783.db2.gz BDMVKBJVQPCNAQ-WCCYQHBJSA-N 1 3 222.376 2.153 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H](C)CCCC(C)C ZINC000663510260 488055205 /nfs/dbraw/zinc/05/52/05/488055205.db2.gz CTEBQZZIGQWHEI-RYUDHWBXSA-N 1 3 200.370 2.399 20 0 BEADHO CN1CC[C@H]([NH2+]Cc2cccnc2)CC1(C)C ZINC000084519282 488056815 /nfs/dbraw/zinc/05/68/15/488056815.db2.gz XWNFUGRHEFRBMB-ZDUSSCGKSA-N 1 3 233.359 2.044 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000251975511 488066338 /nfs/dbraw/zinc/06/63/38/488066338.db2.gz YJQHBJYHXIZKCU-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc([C@@H]2CCN(CCC[NH3+])C2)cc1 ZINC000516423696 488098897 /nfs/dbraw/zinc/09/88/97/488098897.db2.gz QSLODHHDXYJZNA-CQSZACIVSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccc([C@@H]2CC[N@H+](CCCN)C2)cc1 ZINC000516423696 488098903 /nfs/dbraw/zinc/09/89/03/488098903.db2.gz QSLODHHDXYJZNA-CQSZACIVSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccc([C@@H]2CC[N@@H+](CCCN)C2)cc1 ZINC000516423696 488098907 /nfs/dbraw/zinc/09/89/07/488098907.db2.gz QSLODHHDXYJZNA-CQSZACIVSA-N 1 3 218.344 2.133 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CN1CCCC1 ZINC000378957351 488113979 /nfs/dbraw/zinc/11/39/79/488113979.db2.gz NFIWDWRFZSIXOJ-KBXIAJHMSA-N 1 3 236.403 2.497 20 0 BEADHO CCN(CC)CCC[N@H+](CCO)CC(C)(C)C ZINC000683141221 488117995 /nfs/dbraw/zinc/11/79/95/488117995.db2.gz QLIZSEBEYNLZGO-UHFFFAOYSA-N 1 3 244.423 2.059 20 0 BEADHO CCN(CC)CCC[N@@H+](CCO)CC(C)(C)C ZINC000683141221 488118000 /nfs/dbraw/zinc/11/80/00/488118000.db2.gz QLIZSEBEYNLZGO-UHFFFAOYSA-N 1 3 244.423 2.059 20 0 BEADHO CC(C)C[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000669512428 488118919 /nfs/dbraw/zinc/11/89/19/488118919.db2.gz SGGWSVGFBJVDFK-ZWNOBZJWSA-N 1 3 249.358 2.018 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403592339 488128214 /nfs/dbraw/zinc/12/82/14/488128214.db2.gz DLLRZCZSIVOGNU-IEECTRCBSA-N 1 3 208.349 2.035 20 0 BEADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403721645 488133903 /nfs/dbraw/zinc/13/39/03/488133903.db2.gz IDEXMOFOEYCDLJ-CBBWQLFWSA-N 1 3 236.403 2.354 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403721645 488133909 /nfs/dbraw/zinc/13/39/09/488133909.db2.gz IDEXMOFOEYCDLJ-CBBWQLFWSA-N 1 3 236.403 2.354 20 0 BEADHO C[N@H+](CCCN)C[C@@H]1CCCCC1(C)C ZINC000382065922 487530641 /nfs/dbraw/zinc/53/06/41/487530641.db2.gz QCMMLPJBFODWQS-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO C[N@@H+](CCCN)C[C@@H]1CCCCC1(C)C ZINC000382065922 487530643 /nfs/dbraw/zinc/53/06/43/487530643.db2.gz QCMMLPJBFODWQS-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CN(CCC[NH3+])C[C@@H]1CCCCC1(C)C ZINC000382065922 487530647 /nfs/dbraw/zinc/53/06/47/487530647.db2.gz QCMMLPJBFODWQS-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(CCN1CCC([NH3+])CC1)C1CC1 ZINC000392794687 487555367 /nfs/dbraw/zinc/55/53/67/487555367.db2.gz KDXBFHAJYKLUBX-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)(CC[NH+]1CCC(N)CC1)C1CC1 ZINC000392794687 487555374 /nfs/dbraw/zinc/55/53/74/487555374.db2.gz KDXBFHAJYKLUBX-UHFFFAOYSA-N 1 3 210.365 2.236 20 0 BEADHO CN(CCCC1CCC1)C1CC[NH2+]CC1 ZINC000662236614 487470783 /nfs/dbraw/zinc/47/07/83/487470783.db2.gz FZELMEXKVMUOJL-UHFFFAOYSA-N 1 3 210.365 2.251 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@H+](CCCCCF)C2 ZINC000381102541 487497261 /nfs/dbraw/zinc/49/72/61/487497261.db2.gz YBBOHAPFAPFGIK-STQMWFEESA-N 1 3 228.355 2.187 20 0 BEADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000381102541 487497264 /nfs/dbraw/zinc/49/72/64/487497264.db2.gz YBBOHAPFAPFGIK-STQMWFEESA-N 1 3 228.355 2.187 20 0 BEADHO CO[C@@H](CN[C@H](C)CC[NH+](C)C)C1CCCC1 ZINC000668710285 488151926 /nfs/dbraw/zinc/15/19/26/488151926.db2.gz JEWNGOWVOYNYNQ-OCCSQVGLSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCS1 ZINC000227390396 487836460 /nfs/dbraw/zinc/83/64/60/487836460.db2.gz HHTPGKQKZZHSGK-GRYCIOLGSA-N 1 3 228.405 2.132 20 0 BEADHO CC1(C)CCCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663499001 488047827 /nfs/dbraw/zinc/04/78/27/488047827.db2.gz UAWCEIQBMPTCED-MBHSVXNSSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663499001 488047831 /nfs/dbraw/zinc/04/78/31/488047831.db2.gz UAWCEIQBMPTCED-MBHSVXNSSA-N 1 3 222.376 2.297 20 0 BEADHO CO[C@@H](CN[C@@H](C)CC[NH+](C)C)C1CCCC1 ZINC000668710284 488152010 /nfs/dbraw/zinc/15/20/10/488152010.db2.gz JEWNGOWVOYNYNQ-JSGCOSHPSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C(C)(C)C ZINC000310563644 488168783 /nfs/dbraw/zinc/16/87/83/488168783.db2.gz WOTRDOKSYHWAAQ-QWHCGFSZSA-N 1 3 244.423 2.054 20 0 BEADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C(C)(C)C ZINC000310563644 488168787 /nfs/dbraw/zinc/16/87/87/488168787.db2.gz WOTRDOKSYHWAAQ-QWHCGFSZSA-N 1 3 244.423 2.054 20 0 BEADHO C[N@H+](Cc1cccc2c1CCNC2)C1CCC1 ZINC000143855647 488176693 /nfs/dbraw/zinc/17/66/93/488176693.db2.gz QZXXOIOZGOLROP-UHFFFAOYSA-N 1 3 230.355 2.317 20 0 BEADHO C[N@@H+](Cc1cccc2c1CCNC2)C1CCC1 ZINC000143855647 488176698 /nfs/dbraw/zinc/17/66/98/488176698.db2.gz QZXXOIOZGOLROP-UHFFFAOYSA-N 1 3 230.355 2.317 20 0 BEADHO C[C@@H](CCC1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000398109426 488211258 /nfs/dbraw/zinc/21/12/58/488211258.db2.gz WTLQOFJIVZDXAG-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000678342755 488243493 /nfs/dbraw/zinc/24/34/93/488243493.db2.gz GQUGJXMIQJGODG-KBMXLJTQSA-N 1 3 244.382 2.331 20 0 BEADHO CC(C)(CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000678844138 488290356 /nfs/dbraw/zinc/29/03/56/488290356.db2.gz VMMYBKDQLXDCAU-ZIAGYGMSSA-N 1 3 244.382 2.115 20 0 BEADHO CCN(CC)CC[C@H](C)[NH+](CC)CC ZINC000077951822 490122073 /nfs/dbraw/zinc/12/20/73/490122073.db2.gz XMBQTWCKXSGBGX-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCN(CC)[C@@H](C)CC[NH+](CC)CC ZINC000077951822 490122075 /nfs/dbraw/zinc/12/20/75/490122075.db2.gz XMBQTWCKXSGBGX-LBPRGKRZSA-N 1 3 200.370 2.449 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536780 491104710 /nfs/dbraw/zinc/10/47/10/491104710.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536780 491104712 /nfs/dbraw/zinc/10/47/12/491104712.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536780 491104713 /nfs/dbraw/zinc/10/47/13/491104713.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536780 491104715 /nfs/dbraw/zinc/10/47/15/491104715.db2.gz KYWFGCUGDAUKAW-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536779 491104871 /nfs/dbraw/zinc/10/48/71/491104871.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536779 491104873 /nfs/dbraw/zinc/10/48/73/491104873.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536779 491104875 /nfs/dbraw/zinc/10/48/75/491104875.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536779 491104877 /nfs/dbraw/zinc/10/48/77/491104877.db2.gz KYWFGCUGDAUKAW-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H](NC[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000400386906 533905634 /nfs/dbraw/zinc/90/56/34/533905634.db2.gz MCRKSBSPNHELHB-AVGNSLFASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000400386906 533905644 /nfs/dbraw/zinc/90/56/44/533905644.db2.gz MCRKSBSPNHELHB-AVGNSLFASA-N 1 3 208.349 2.073 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253226533 535612609 /nfs/dbraw/zinc/61/26/09/535612609.db2.gz JFLMCKHONSKUBU-YNEHKIRRSA-N 1 3 212.381 2.339 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253226533 535612613 /nfs/dbraw/zinc/61/26/13/535612613.db2.gz JFLMCKHONSKUBU-YNEHKIRRSA-N 1 3 212.381 2.339 20 0 BEADHO CC[C@@H]1CCC[N@@H+]1CC1CCN(C)CC1 ZINC000891780819 582720142 /nfs/dbraw/zinc/72/01/42/582720142.db2.gz CNIMYJDXZMDSEQ-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H]1CCC[N@H+]1CC1CCN(C)CC1 ZINC000891780819 582720144 /nfs/dbraw/zinc/72/01/44/582720144.db2.gz CNIMYJDXZMDSEQ-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH2+][C@@H](C)CNc1ccnc2ccccc21 ZINC000261573803 536345018 /nfs/dbraw/zinc/34/50/18/536345018.db2.gz IZINWYXEFYETCC-JTQLQIEISA-N 1 3 215.300 2.255 20 0 BEADHO CC(C)(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252668353 534612243 /nfs/dbraw/zinc/61/22/43/534612243.db2.gz VJNQQHQMQXDHRS-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252668353 534612249 /nfs/dbraw/zinc/61/22/49/534612249.db2.gz VJNQQHQMQXDHRS-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668353 534612254 /nfs/dbraw/zinc/61/22/54/534612254.db2.gz VJNQQHQMQXDHRS-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CC[C@@H](C2CC2)C1 ZINC000400006185 528554021 /nfs/dbraw/zinc/55/40/21/528554021.db2.gz RLKLPELXYBQTEU-OLZOCXBDSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000302365365 529356482 /nfs/dbraw/zinc/35/64/82/529356482.db2.gz KKDAZURKEUHPEL-YUELXQCFSA-N 1 3 232.371 2.459 20 0 BEADHO CC[C@@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000302365365 529356484 /nfs/dbraw/zinc/35/64/84/529356484.db2.gz KKDAZURKEUHPEL-YUELXQCFSA-N 1 3 232.371 2.459 20 0 BEADHO CC(C)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178627717 535134467 /nfs/dbraw/zinc/13/44/67/535134467.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178627717 535134471 /nfs/dbraw/zinc/13/44/71/535134471.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000178627717 535134473 /nfs/dbraw/zinc/13/44/73/535134473.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000178627717 535134480 /nfs/dbraw/zinc/13/44/80/535134480.db2.gz TYFVEOHVWGMFQO-CHWSQXEVSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[NH+]1CCC(NC2CC(C)(F)C2)CC1 ZINC000335375304 535162350 /nfs/dbraw/zinc/16/23/50/535162350.db2.gz ZHRKWJIDJHFDNF-UHFFFAOYSA-N 1 3 228.355 2.339 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000261560186 535297357 /nfs/dbraw/zinc/29/73/57/535297357.db2.gz UJEIPOZHPSIFEM-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000253234650 535328360 /nfs/dbraw/zinc/32/83/60/535328360.db2.gz DIFWHHWQDABYPI-SRVKXCTJSA-N 1 3 210.365 2.282 20 0 BEADHO CCC[C@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253009825 535717392 /nfs/dbraw/zinc/71/73/92/535717392.db2.gz BAPHXZMXAWXCAQ-MJBXVCDLSA-N 1 3 242.407 2.048 20 0 BEADHO CC[C@]1(C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261554801 535910677 /nfs/dbraw/zinc/91/06/77/535910677.db2.gz UPQHMGHJFJKKTG-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@]1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261554801 535910679 /nfs/dbraw/zinc/91/06/79/535910679.db2.gz UPQHMGHJFJKKTG-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]1CCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000219319149 536066770 /nfs/dbraw/zinc/06/67/70/536066770.db2.gz ADUSIJYVSWWVMT-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@H](CSC)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252730747 536126566 /nfs/dbraw/zinc/12/65/66/536126566.db2.gz MRYSGFNAQBSGMJ-UPJWGTAASA-N 1 3 242.432 2.344 20 0 BEADHO CC[C@H](CSC)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730747 536126567 /nfs/dbraw/zinc/12/65/67/536126567.db2.gz MRYSGFNAQBSGMJ-UPJWGTAASA-N 1 3 242.432 2.344 20 0 BEADHO CCOc1ccc(CNCCCC[NH+](C)C)o1 ZINC000892739663 582974279 /nfs/dbraw/zinc/97/42/79/582974279.db2.gz GJCQZJFPAIFAJV-UHFFFAOYSA-N 1 3 240.347 2.110 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853240261 588728299 /nfs/dbraw/zinc/72/82/99/588728299.db2.gz OFXGKLOJWMOKPI-BPLDGKMQSA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000854230549 588781121 /nfs/dbraw/zinc/78/11/21/588781121.db2.gz UGLFKWGYGXNSMS-UPJWGTAASA-N 1 3 210.365 2.138 20 0 BEADHO CCC[C@@H](C)[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757135095 582514282 /nfs/dbraw/zinc/51/42/82/582514282.db2.gz YKEFQTJKBYWEMV-CHWSQXEVSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@@H](C)[N@H+]1CCC[C@@]12CCCNC2 ZINC000757135095 582514283 /nfs/dbraw/zinc/51/42/83/582514283.db2.gz YKEFQTJKBYWEMV-CHWSQXEVSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@@H](C)N1CCC[C@@]12CCC[NH2+]C2 ZINC000757135095 582514284 /nfs/dbraw/zinc/51/42/84/582514284.db2.gz YKEFQTJKBYWEMV-CHWSQXEVSA-N 1 3 210.365 2.393 20 0 BEADHO C[C@@H]1C[NH+](CC2CCN(C)CC2)C[C@@H](C)S1 ZINC000891822264 582726830 /nfs/dbraw/zinc/72/68/30/582726830.db2.gz KZLMZSQMPRRMSC-VXGBXAGGSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000892069314 582784638 /nfs/dbraw/zinc/78/46/38/582784638.db2.gz HWQYRMNCUJPWDC-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000892069314 582784639 /nfs/dbraw/zinc/78/46/39/582784639.db2.gz HWQYRMNCUJPWDC-CHWSQXEVSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@]1(C)CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892144230 582800430 /nfs/dbraw/zinc/80/04/30/582800430.db2.gz MNSJGBQPFKDHBP-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@]1(C)CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892144230 582800432 /nfs/dbraw/zinc/80/04/32/582800432.db2.gz MNSJGBQPFKDHBP-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO C(CC1CCCCC1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000395115362 583042817 /nfs/dbraw/zinc/04/28/17/583042817.db2.gz IREDKDHZTHIYSU-HUUCEWRRSA-N 1 3 236.403 2.498 20 0 BEADHO N[C@@]12CCC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086551 588887065 /nfs/dbraw/zinc/88/70/65/588887065.db2.gz LRRMGOWWVLEMJF-DGCLKSJQSA-N 1 3 236.384 2.104 20 0 BEADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCc1cccs1)C2 ZINC000857086551 588887066 /nfs/dbraw/zinc/88/70/66/588887066.db2.gz LRRMGOWWVLEMJF-DGCLKSJQSA-N 1 3 236.384 2.104 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](CF)C1 ZINC000880237080 583506489 /nfs/dbraw/zinc/50/64/89/583506489.db2.gz PQJFWUHTRMIKBL-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](CF)C1 ZINC000880237080 583506492 /nfs/dbraw/zinc/50/64/92/583506492.db2.gz PQJFWUHTRMIKBL-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@@H](C)[C@H]1C ZINC000894959556 583559417 /nfs/dbraw/zinc/55/94/17/583559417.db2.gz YIRCEFYWDLFQIZ-AGIUHOORSA-N 1 3 224.392 2.305 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@@H](C)[C@H]1C ZINC000894959556 583559418 /nfs/dbraw/zinc/55/94/18/583559418.db2.gz YIRCEFYWDLFQIZ-AGIUHOORSA-N 1 3 224.392 2.305 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000895188232 583619591 /nfs/dbraw/zinc/61/95/91/583619591.db2.gz IHUAPEAEZALKCP-LBPRGKRZSA-N 1 3 244.329 2.059 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000895188232 583619593 /nfs/dbraw/zinc/61/95/93/583619593.db2.gz IHUAPEAEZALKCP-LBPRGKRZSA-N 1 3 244.329 2.059 20 0 BEADHO CCC1(C[NH2+]CC[C@@H](C)N(C)C)CCOCC1 ZINC000895296188 583640639 /nfs/dbraw/zinc/64/06/39/583640639.db2.gz ABASPLXUSLKIIL-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@@H](CF)C2)CC1 ZINC000896000967 583760379 /nfs/dbraw/zinc/76/03/79/583760379.db2.gz ZYQFVERHYUKFAH-ZDUSSCGKSA-N 1 3 228.355 2.010 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000896000967 583760380 /nfs/dbraw/zinc/76/03/80/583760380.db2.gz ZYQFVERHYUKFAH-ZDUSSCGKSA-N 1 3 228.355 2.010 20 0 BEADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCC=CO2)CC1(C)C ZINC000858158539 588936119 /nfs/dbraw/zinc/93/61/19/588936119.db2.gz LFAPBTNGLSCKHV-CHWSQXEVSA-N 1 3 238.375 2.142 20 0 BEADHO C[N@H+]1CC[C@@H](NC[C@H]2CCC=CO2)CC1(C)C ZINC000858158539 588936120 /nfs/dbraw/zinc/93/61/20/588936120.db2.gz LFAPBTNGLSCKHV-CHWSQXEVSA-N 1 3 238.375 2.142 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2cccnc2)CC1(C)C ZINC000858093435 588932264 /nfs/dbraw/zinc/93/22/64/588932264.db2.gz BFOIQCOEVJOOMU-AWEZNQCLSA-N 1 3 247.386 2.087 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2cccnc2)CC1(C)C ZINC000858093435 588932266 /nfs/dbraw/zinc/93/22/66/588932266.db2.gz BFOIQCOEVJOOMU-AWEZNQCLSA-N 1 3 247.386 2.087 20 0 BEADHO CN1CCC(C[N@H+](C)CCOC(C)(C)C)CC1 ZINC000729265336 583988193 /nfs/dbraw/zinc/98/81/93/583988193.db2.gz BSIWYNHMSXSNEK-UHFFFAOYSA-N 1 3 242.407 2.075 20 0 BEADHO CN1CCC(C[N@@H+](C)CCOC(C)(C)C)CC1 ZINC000729265336 583988194 /nfs/dbraw/zinc/98/81/94/583988194.db2.gz BSIWYNHMSXSNEK-UHFFFAOYSA-N 1 3 242.407 2.075 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000873282308 584129111 /nfs/dbraw/zinc/12/91/11/584129111.db2.gz SYOMZMQSLIKMDE-RDBSUJKOSA-N 1 3 222.376 2.450 20 0 BEADHO NCc1ccc(-c2ccc3c(c2)C[C@H]([NH3+])C3)s1 ZINC000899323621 584196585 /nfs/dbraw/zinc/19/65/85/584196585.db2.gz SQMSAFAQMLJCCZ-GFCCVEGCSA-N 1 3 244.363 2.300 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000902346748 584559026 /nfs/dbraw/zinc/55/90/26/584559026.db2.gz POHNMBZDMAGIIX-NEPJUHHUSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCS2)C1 ZINC000902346748 584559027 /nfs/dbraw/zinc/55/90/27/584559027.db2.gz POHNMBZDMAGIIX-NEPJUHHUSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CCC2CC2)C1 ZINC000902348048 584559031 /nfs/dbraw/zinc/55/90/31/584559031.db2.gz QLDQQLXZVHFVIV-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO CO[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902333890 584563699 /nfs/dbraw/zinc/56/36/99/584563699.db2.gz MVGRWUMGNVHXAK-OLZOCXBDSA-N 1 3 242.407 2.025 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000902362644 584572002 /nfs/dbraw/zinc/57/20/02/584572002.db2.gz RCPVJXWOVBBXHF-OLZOCXBDSA-N 1 3 222.376 2.463 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000902362647 584572398 /nfs/dbraw/zinc/57/23/98/584572398.db2.gz RCPVJXWOVBBXHF-QWHCGFSZSA-N 1 3 222.376 2.463 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902386296 584578206 /nfs/dbraw/zinc/57/82/06/584578206.db2.gz FGIQOXAPADJFKQ-AGIUHOORSA-N 1 3 224.392 2.400 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000902387720 584579681 /nfs/dbraw/zinc/57/96/81/584579681.db2.gz LIJTWTQCNXAFEO-NSHDSACASA-N 1 3 246.345 2.400 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000902388709 584579960 /nfs/dbraw/zinc/57/99/60/584579960.db2.gz QOFBXUSZRSJUQG-IHRRRGAJSA-N 1 3 236.403 2.400 20 0 BEADHO CCC[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902389230 584580702 /nfs/dbraw/zinc/58/07/02/584580702.db2.gz TTYFTWRBQCYEEQ-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C=CCC2)C1 ZINC000902391569 584581745 /nfs/dbraw/zinc/58/17/45/584581745.db2.gz GYCQKXXUBCLVQA-VXGBXAGGSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)(F)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902394680 584582893 /nfs/dbraw/zinc/58/28/93/584582893.db2.gz ADOKWRBCKPJJEA-LLVKDONJSA-N 1 3 230.371 2.492 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000902397825 584585282 /nfs/dbraw/zinc/58/52/82/584585282.db2.gz IEUKXEGQQHMHGJ-QWRGUYRKSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902400956 584587019 /nfs/dbraw/zinc/58/70/19/584587019.db2.gz YNVUEIOHUWZOMK-CMPLNLGQSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCNCC(C)(C)C2)CC1(F)F ZINC000902400956 584587022 /nfs/dbraw/zinc/58/70/22/584587022.db2.gz YNVUEIOHUWZOMK-CMPLNLGQSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000902405370 584588868 /nfs/dbraw/zinc/58/88/68/584588868.db2.gz MSXXOWBRPMAEAB-SDDRHHMPSA-N 1 3 248.370 2.398 20 0 BEADHO CC(C)(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000902430885 584595341 /nfs/dbraw/zinc/59/53/41/584595341.db2.gz JKBTUYYQNRZWRY-SZZQBSIJSA-N 1 3 234.387 2.009 20 0 BEADHO CC(C)(C[NH2+][C@H]1[C@@H]2NC[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000902430885 584595342 /nfs/dbraw/zinc/59/53/42/584595342.db2.gz JKBTUYYQNRZWRY-SZZQBSIJSA-N 1 3 234.387 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902434682 584595862 /nfs/dbraw/zinc/59/58/62/584595862.db2.gz ZCFDTQAONJZBHU-YPMHNXCESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902434680 584595872 /nfs/dbraw/zinc/59/58/72/584595872.db2.gz ZCFDTQAONJZBHU-DGCLKSJQSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)C1CC1 ZINC000902434564 584595965 /nfs/dbraw/zinc/59/59/65/584595965.db2.gz XMYMKLHKIJANFU-RYUDHWBXSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CNCC1(C)C ZINC000902444863 584598848 /nfs/dbraw/zinc/59/88/48/584598848.db2.gz OVHNVZLBAXJWAG-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CNCC1(C)C ZINC000902444242 584598616 /nfs/dbraw/zinc/59/86/16/584598616.db2.gz MWOZPMFXSNJPBF-WDEREUQCSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@@H]1CNCC1(C)C ZINC000902444852 584599024 /nfs/dbraw/zinc/59/90/24/584599024.db2.gz OVHNVZLBAXJWAG-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@H]1C ZINC000902474664 584601853 /nfs/dbraw/zinc/60/18/53/584601853.db2.gz HIBYDIQCAAKJHP-QTJJRWQNSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)[C@@H]1C ZINC000902474665 584601931 /nfs/dbraw/zinc/60/19/31/584601931.db2.gz HIBYDIQCAAKJHP-UCKQBZRPSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@H]1C[C@H]1C ZINC000902446944 584604024 /nfs/dbraw/zinc/60/40/24/584604024.db2.gz WJVNPJHHXNWRQE-NOOOWODRSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@]12C[C@@H]1CCC[C@H]2[NH2+][C@H]1CNCC1(C)C ZINC000902447571 584604551 /nfs/dbraw/zinc/60/45/51/584604551.db2.gz ZRVCLWDEKIHHDW-KZVDOYCCSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CNCC1(C)C ZINC000902448172 584604620 /nfs/dbraw/zinc/60/46/20/584604620.db2.gz DGUBIMPOVBTSPN-IUCAKERBSA-N 1 3 238.297 2.305 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902447318 584605058 /nfs/dbraw/zinc/60/50/58/584605058.db2.gz SHEATWHJHNQJGA-NEPJUHHUSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902448118 584605076 /nfs/dbraw/zinc/60/50/76/584605076.db2.gz CJTNEHCTMGCTTM-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)C1CCCC1 ZINC000902448731 584605545 /nfs/dbraw/zinc/60/55/45/584605545.db2.gz HZDBHCVCLKYFGL-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)S2 ZINC000902448366 584605627 /nfs/dbraw/zinc/60/56/27/584605627.db2.gz ZTPDAMRZIANBNI-XYTAGDGMSA-N 1 3 240.416 2.143 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902448689 584605643 /nfs/dbraw/zinc/60/56/43/584605643.db2.gz HAOQPMKTGGHQID-AVGNSLFASA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902450401 584606823 /nfs/dbraw/zinc/60/68/23/584606823.db2.gz DBYLETOSIKYIDH-SRVKXCTJSA-N 1 3 210.365 2.425 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902453952 584608535 /nfs/dbraw/zinc/60/85/35/584608535.db2.gz GHVFPSULEBPTOU-ICQAVMKVSA-N 1 3 220.360 2.048 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)C1 ZINC000902455436 584609741 /nfs/dbraw/zinc/60/97/41/584609741.db2.gz LZZUHZBATFXQKN-UJPOAAIJSA-N 1 3 208.349 2.035 20 0 BEADHO CC1(C)CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)O1 ZINC000902461204 584611798 /nfs/dbraw/zinc/61/17/98/584611798.db2.gz LXEHLFWVZSHEQL-RWMBFGLXSA-N 1 3 240.391 2.194 20 0 BEADHO CNc1ccccc1CNCC1=CC[N@H+](C)CC1 ZINC000902466058 584613791 /nfs/dbraw/zinc/61/37/91/584613791.db2.gz IMAFXFGUKQSGMP-UHFFFAOYSA-N 1 3 245.370 2.080 20 0 BEADHO CNc1ccccc1CNCC1=CC[N@@H+](C)CC1 ZINC000902466058 584613793 /nfs/dbraw/zinc/61/37/93/584613793.db2.gz IMAFXFGUKQSGMP-UHFFFAOYSA-N 1 3 245.370 2.080 20 0 BEADHO C1CC2(CCCC2)[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902465735 584614085 /nfs/dbraw/zinc/61/40/85/584614085.db2.gz IUZAXWYQPIOEEN-XQHKEYJVSA-N 1 3 220.360 2.192 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1F ZINC000902489956 584617500 /nfs/dbraw/zinc/61/75/00/584617500.db2.gz SYRLRCHSQDDXHD-DCAQKATOSA-N 1 3 222.307 2.214 20 0 BEADHO Cc1ncccc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000902511757 584622959 /nfs/dbraw/zinc/62/29/59/584622959.db2.gz FJUIARWQAJYKLH-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@@H]1CCC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902485316 584624963 /nfs/dbraw/zinc/62/49/63/584624963.db2.gz ZPMAELGMXOIGLJ-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cccnc1Cl ZINC000902485551 584625230 /nfs/dbraw/zinc/62/52/30/584625230.db2.gz AFPOOYBCVYIODP-GUBZILKMSA-N 1 3 239.750 2.123 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H](c1ccncc1)C1CC1 ZINC000902515185 584629465 /nfs/dbraw/zinc/62/94/65/584629465.db2.gz UAJWNLUYCQKQJC-MJVIPROJSA-N 1 3 233.359 2.248 20 0 BEADHO CO[C@H]1CCC[C@H]1NCCC[N@H+](C)CC(C)C ZINC000903195062 584734316 /nfs/dbraw/zinc/73/43/16/584734316.db2.gz URXUWRZKWLZSLO-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H]1CCC[C@H]1NCCC[N@@H+](C)CC(C)C ZINC000903195062 584734317 /nfs/dbraw/zinc/73/43/17/584734317.db2.gz URXUWRZKWLZSLO-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H]1CCC[C@H]1[NH2+]CCCN(C)CC(C)C ZINC000903195062 584734318 /nfs/dbraw/zinc/73/43/18/584734318.db2.gz URXUWRZKWLZSLO-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H]1CCC[C@@H]1NCCC[N@H+](C)CC(C)C ZINC000903195063 584734467 /nfs/dbraw/zinc/73/44/67/584734467.db2.gz URXUWRZKWLZSLO-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H]1CCC[C@@H]1NCCC[N@@H+](C)CC(C)C ZINC000903195063 584734468 /nfs/dbraw/zinc/73/44/68/584734468.db2.gz URXUWRZKWLZSLO-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H]1CCC[C@@H]1[NH2+]CCCN(C)CC(C)C ZINC000903195063 584734469 /nfs/dbraw/zinc/73/44/69/584734469.db2.gz URXUWRZKWLZSLO-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](C1CC1)N(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903430784 584761864 /nfs/dbraw/zinc/76/18/64/584761864.db2.gz AXOMPJOMGIZJDB-MDZLAQPJSA-N 1 3 222.376 2.105 20 0 BEADHO C(C[NH2+][C@@H]1CCNC12CCC2)CC1CC1 ZINC000903472911 584776099 /nfs/dbraw/zinc/77/60/99/584776099.db2.gz WTAODAJGDPPMDD-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000903482633 584778562 /nfs/dbraw/zinc/77/85/62/584778562.db2.gz NLTINWCFGNZOCY-KGLIPLIRSA-N 1 3 243.354 2.383 20 0 BEADHO CCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903466493 584779893 /nfs/dbraw/zinc/77/98/93/584779893.db2.gz UNHWNAQASWHYPP-GFCCVEGCSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903716265 584794299 /nfs/dbraw/zinc/79/42/99/584794299.db2.gz LESVNSHWTXHJCB-MVKMKZAISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903716265 584794300 /nfs/dbraw/zinc/79/43/00/584794300.db2.gz LESVNSHWTXHJCB-MVKMKZAISA-N 1 3 210.365 2.092 20 0 BEADHO CC1CC(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000903740889 584796069 /nfs/dbraw/zinc/79/60/69/584796069.db2.gz LTJDSCSDCWYTFY-WUCCLRPBSA-N 1 3 236.403 2.497 20 0 BEADHO C([C@@H]1CCCC[NH2+]C1)N(C1CC1)C1CC1 ZINC000903769403 584797879 /nfs/dbraw/zinc/79/78/79/584797879.db2.gz FNHYALTUEKWCED-LLVKDONJSA-N 1 3 208.349 2.003 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CNCC1(C)C ZINC000903821464 584804053 /nfs/dbraw/zinc/80/40/53/584804053.db2.gz LEWSVDFVCSCARB-NWDGAFQWSA-N 1 3 212.381 2.256 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CNCC1(C)C ZINC000903821466 584804110 /nfs/dbraw/zinc/80/41/10/584804110.db2.gz LEWSVDFVCSCARB-VXGBXAGGSA-N 1 3 212.381 2.256 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+]CC1CCCCC1 ZINC000903821693 584804142 /nfs/dbraw/zinc/80/41/42/584804142.db2.gz PYQJCXWDWCOKHD-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1CSCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903831608 584805959 /nfs/dbraw/zinc/80/59/59/584805959.db2.gz KXEYVSFJAQSKQP-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CCCCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903849578 584808342 /nfs/dbraw/zinc/80/83/42/584808342.db2.gz DJSHFTZXKZEKQX-OLZOCXBDSA-N 1 3 210.365 2.380 20 0 BEADHO CC(C)=CCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856535 584808822 /nfs/dbraw/zinc/80/88/22/584808822.db2.gz ABFUZHQDEOEACN-STQMWFEESA-N 1 3 208.349 2.156 20 0 BEADHO [NH3+]C[C@]12CC[C@H]1CCN2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858900 584811139 /nfs/dbraw/zinc/81/11/39/584811139.db2.gz KBRNKZVMNWOHKY-CBBWQLFWSA-N 1 3 234.387 2.236 20 0 BEADHO [NH3+]C[C@]12CC[C@H]1CCN2CCCc1ccccc1 ZINC000903858699 584811190 /nfs/dbraw/zinc/81/11/90/584811190.db2.gz YEHWTIPMXIFRJD-JKSUJKDBSA-N 1 3 244.382 2.432 20 0 BEADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CC[C@@H]1C[C@H]1C1CC1 ZINC000903858902 584811246 /nfs/dbraw/zinc/81/12/46/584811246.db2.gz KBRNKZVMNWOHKY-KBXIAJHMSA-N 1 3 234.387 2.236 20 0 BEADHO [NH3+]C[C@]12CC[C@H]1CCN2CCCC1CCC1 ZINC000903860325 584812126 /nfs/dbraw/zinc/81/21/26/584812126.db2.gz QTPIKXDUYMRZEM-UONOGXRCSA-N 1 3 222.376 2.380 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000903964091 584834005 /nfs/dbraw/zinc/83/40/05/584834005.db2.gz LHTFSQQFQJEZLJ-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000903964398 584834019 /nfs/dbraw/zinc/83/40/19/584834019.db2.gz PGDPNDYVNUCSHN-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CNC[C@H]1C ZINC000903965096 584834644 /nfs/dbraw/zinc/83/46/44/584834644.db2.gz ZZXWVKFHKNDOIS-IIAWOOMASA-N 1 3 246.398 2.453 20 0 BEADHO CC[C@H](Cc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967747 584834935 /nfs/dbraw/zinc/83/49/35/584834935.db2.gz MXURHVLIJABDNK-VNQPRFMTSA-N 1 3 246.398 2.453 20 0 BEADHO COc1ccccc1C1(NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904374589 584873625 /nfs/dbraw/zinc/87/36/25/584873625.db2.gz UXSNXIUQOWFJGL-TXEJJXNPSA-N 1 3 246.354 2.011 20 0 BEADHO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904372357 584873713 /nfs/dbraw/zinc/87/37/13/584873713.db2.gz CBIVBUCLUMQUHB-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1CC(C)(C)C[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904372357 584873714 /nfs/dbraw/zinc/87/37/14/584873714.db2.gz CBIVBUCLUMQUHB-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)CC[C@H]([NH3+])CNC[C@@]1(C)CCCO1 ZINC000904366851 584874866 /nfs/dbraw/zinc/87/48/66/584874866.db2.gz RHHCPNLTXWVXSW-GXTWGEPZSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000904389702 584875603 /nfs/dbraw/zinc/87/56/03/584875603.db2.gz RGWNICUOBIPKAN-BBBLOLIVSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@H](CNC[C@@]1(C)CCC[NH2+]C1)c1ccccn1 ZINC000904377395 584876087 /nfs/dbraw/zinc/87/60/87/584876087.db2.gz PTUHMDOGRZFEJC-HIFRSBDPSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccccn1 ZINC000904377395 584876088 /nfs/dbraw/zinc/87/60/88/584876088.db2.gz PTUHMDOGRZFEJC-HIFRSBDPSA-N 1 3 247.386 2.164 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@H](C)CSC(C)(C)C ZINC000817957269 584991702 /nfs/dbraw/zinc/99/17/02/584991702.db2.gz ADIFIQUWOHHLIM-GHMZBOCLSA-N 1 3 232.437 2.480 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)N)c1ccc2c(c1)CCO2 ZINC000817960982 584992541 /nfs/dbraw/zinc/99/25/41/584992541.db2.gz VQTKIYPJBPCIFO-JTQLQIEISA-N 1 3 234.343 2.009 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000768691191 585541893 /nfs/dbraw/zinc/54/18/93/585541893.db2.gz ZWOLGCWKCSVUNX-VOMCLLRMSA-N 1 3 246.345 2.352 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CCc1cccs1 ZINC000300806302 585682112 /nfs/dbraw/zinc/68/21/12/585682112.db2.gz GJRCTDOCMYRRFZ-GFCCVEGCSA-N 1 3 238.400 2.268 20 0 BEADHO CC1(C)C[NH2+]CC[C@H]1NCCc1cccs1 ZINC000300806302 585682113 /nfs/dbraw/zinc/68/21/13/585682113.db2.gz GJRCTDOCMYRRFZ-GFCCVEGCSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000782184869 585810653 /nfs/dbraw/zinc/81/06/53/585810653.db2.gz GPJOHAPBEWCBOF-OCCSQVGLSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000782184869 585810654 /nfs/dbraw/zinc/81/06/54/585810654.db2.gz GPJOHAPBEWCBOF-OCCSQVGLSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](C1CC1)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000782184869 585810655 /nfs/dbraw/zinc/81/06/55/585810655.db2.gz GPJOHAPBEWCBOF-OCCSQVGLSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@H](C1CC1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000782184869 585810656 /nfs/dbraw/zinc/81/06/56/585810656.db2.gz GPJOHAPBEWCBOF-OCCSQVGLSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@@H]1[C@H](C)SCC[N@@H+]1CC1CCN(C)CC1 ZINC000788480475 585925144 /nfs/dbraw/zinc/92/51/44/585925144.db2.gz KCPRQYVYALVYRU-NEPJUHHUSA-N 1 3 242.432 2.154 20 0 BEADHO C[C@@H]1[C@H](C)SCC[N@H+]1CC1CCN(C)CC1 ZINC000788480475 585925145 /nfs/dbraw/zinc/92/51/45/585925145.db2.gz KCPRQYVYALVYRU-NEPJUHHUSA-N 1 3 242.432 2.154 20 0 BEADHO CC[C@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000788471702 585925269 /nfs/dbraw/zinc/92/52/69/585925269.db2.gz YBLXCRTWAFKZEW-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000788471702 585925270 /nfs/dbraw/zinc/92/52/70/585925270.db2.gz YBLXCRTWAFKZEW-ZDUSSCGKSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C)CC2)C1 ZINC000788471714 585925370 /nfs/dbraw/zinc/92/53/70/585925370.db2.gz YVABGPKDJVUHNZ-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](CC2CCN(C)CC2)C1 ZINC000788471714 585925371 /nfs/dbraw/zinc/92/53/71/585925371.db2.gz YVABGPKDJVUHNZ-BETUJISGSA-N 1 3 224.392 2.306 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000788487236 585925537 /nfs/dbraw/zinc/92/55/37/585925537.db2.gz FKULEZBWKNMJKI-OAHLLOKOSA-N 1 3 247.386 2.493 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000788487236 585925538 /nfs/dbraw/zinc/92/55/38/585925538.db2.gz FKULEZBWKNMJKI-OAHLLOKOSA-N 1 3 247.386 2.493 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000817900505 586835807 /nfs/dbraw/zinc/83/58/07/586835807.db2.gz PHDXFVDZAIFMOO-YVECIDJPSA-N 1 3 242.432 2.248 20 0 BEADHO CSC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000817899296 586836162 /nfs/dbraw/zinc/83/61/62/586836162.db2.gz KVYLSWBWOOJYLP-WDEREUQCSA-N 1 3 230.421 2.106 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H]1N ZINC000817909091 586837074 /nfs/dbraw/zinc/83/70/74/586837074.db2.gz XQTMCYBEZJNHLA-KBPBESRZSA-N 1 3 218.344 2.273 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CCC1 ZINC000817906745 586837260 /nfs/dbraw/zinc/83/72/60/586837260.db2.gz FEBYWKPSRBGQTL-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CCOc1cccc([C@H](C)NCCC[NH3+])c1 ZINC000817938739 586844482 /nfs/dbraw/zinc/84/44/82/586844482.db2.gz RCYLWPZHGDVHSD-NSHDSACASA-N 1 3 222.332 2.085 20 0 BEADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817953948 586848628 /nfs/dbraw/zinc/84/86/28/586848628.db2.gz WSAQRPXGIYPJIO-FZMZJTMJSA-N 1 3 248.370 2.400 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000817954233 586849373 /nfs/dbraw/zinc/84/93/73/586849373.db2.gz XNKRMWROYARVIZ-YNEHKIRRSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817957688 586850484 /nfs/dbraw/zinc/85/04/84/586850484.db2.gz DQSDVSNENXZTRS-BXUZGUMPSA-N 1 3 248.370 2.255 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@H](C)[C@H](C)[NH3+] ZINC000817978012 586862015 /nfs/dbraw/zinc/86/20/15/586862015.db2.gz TVNAYRGQLURIHY-KXUCPTDWSA-N 1 3 218.410 2.232 20 0 BEADHO CCOc1cccc([C@@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000817961829 586852848 /nfs/dbraw/zinc/85/28/48/586852848.db2.gz DHKHZPCIIUSOAO-NWDGAFQWSA-N 1 3 236.359 2.331 20 0 BEADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccc2c(c1)CCO2 ZINC000817961250 586853307 /nfs/dbraw/zinc/85/33/07/586853307.db2.gz ZQVPBYCDJVAJAA-CYBMUJFWSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc2c(c1)CCO2 ZINC000817964736 586853929 /nfs/dbraw/zinc/85/39/29/586853929.db2.gz GOFXKQKMMCDLGY-HZMBPMFUSA-N 1 3 246.354 2.009 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](N)C1CC1 ZINC000817964493 586854261 /nfs/dbraw/zinc/85/42/61/586854261.db2.gz ANFFFPLARWZGJU-GJZGRUSLSA-N 1 3 230.355 2.309 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(N)CCC1 ZINC000817965769 586855450 /nfs/dbraw/zinc/85/54/50/586855450.db2.gz ZVKRUEJQBKWLLA-AWEZNQCLSA-N 1 3 230.355 2.453 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000817968536 586855990 /nfs/dbraw/zinc/85/59/90/586855990.db2.gz LFYQGQWUOMNFFM-RWMBFGLXSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc([C@@H]2CCCN2CC2CC[NH2+]CC2)no1 ZINC000823578917 587232166 /nfs/dbraw/zinc/23/21/66/587232166.db2.gz KHWQFGVFCKDOHO-AWEZNQCLSA-N 1 3 249.358 2.120 20 0 BEADHO COc1c(C)cc(C[NH2+]CC2(N)CCC2)cc1C ZINC000841052495 587939682 /nfs/dbraw/zinc/93/96/82/587939682.db2.gz ZFJWTPVDOIOKPA-UHFFFAOYSA-N 1 3 248.370 2.283 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc2c(c1)CC(C)(C)O2 ZINC000841053107 587939877 /nfs/dbraw/zinc/93/98/77/587939877.db2.gz ZONDDWNLOLOVBA-LLVKDONJSA-N 1 3 248.370 2.227 20 0 BEADHO CCCCCC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841081374 587944553 /nfs/dbraw/zinc/94/45/53/587944553.db2.gz WBSALCSDINHQST-WUHRBBMRSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)[C@H](CN)[NH2+]Cc1ccnc(Cl)c1 ZINC000842475114 588029081 /nfs/dbraw/zinc/02/90/81/588029081.db2.gz JVLPWGYQOHMRNB-JTQLQIEISA-N 1 3 241.766 2.198 20 0 BEADHO [NH3+]C1CCC(NCc2cccnc2Cl)CC1 ZINC000843105061 588081628 /nfs/dbraw/zinc/08/16/28/588081628.db2.gz PRGHAHPISACXCN-UHFFFAOYSA-N 1 3 239.750 2.095 20 0 BEADHO C[C@H](O)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848717895 588407837 /nfs/dbraw/zinc/40/78/37/588407837.db2.gz XACUTDYKDVGZBW-TUKIKUTGSA-N 1 3 248.370 2.099 20 0 BEADHO CN(Cc1cc(C2CC2)no1)C1CCC([NH3+])CC1 ZINC000852741309 588698425 /nfs/dbraw/zinc/69/84/25/588698425.db2.gz QGFHERVPSCQRFF-UHFFFAOYSA-N 1 3 249.358 2.254 20 0 BEADHO C[C@H](N)C[N@H+](C)CCCc1c(F)cccc1F ZINC000863567818 589299881 /nfs/dbraw/zinc/29/98/81/589299881.db2.gz GZWFXCMKYSGPKP-JTQLQIEISA-N 1 3 242.313 2.176 20 0 BEADHO C[C@H](N)C[N@@H+](C)CCCc1c(F)cccc1F ZINC000863567818 589299882 /nfs/dbraw/zinc/29/98/82/589299882.db2.gz GZWFXCMKYSGPKP-JTQLQIEISA-N 1 3 242.313 2.176 20 0 BEADHO CCc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206198 589480252 /nfs/dbraw/zinc/48/02/52/589480252.db2.gz BYVAPYLYPSMFKE-WFASDCNBSA-N 1 3 245.370 2.174 20 0 BEADHO CCc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccn1 ZINC000866206198 589480253 /nfs/dbraw/zinc/48/02/53/589480253.db2.gz BYVAPYLYPSMFKE-WFASDCNBSA-N 1 3 245.370 2.174 20 0 BEADHO CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000866583365 589501906 /nfs/dbraw/zinc/50/19/06/589501906.db2.gz KFYMCSRHPGKGIP-RWMBFGLXSA-N 1 3 210.365 2.201 20 0 BEADHO CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000866583365 589501907 /nfs/dbraw/zinc/50/19/07/589501907.db2.gz KFYMCSRHPGKGIP-RWMBFGLXSA-N 1 3 210.365 2.201 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCC(C)(C)CO1 ZINC000866665320 589509566 /nfs/dbraw/zinc/50/95/66/589509566.db2.gz BFYFCVDJUCDWQM-VXGBXAGGSA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCCF)C1 ZINC000866709703 589514593 /nfs/dbraw/zinc/51/45/93/589514593.db2.gz ZBNGTQHCPVPSNY-GFCCVEGCSA-N 1 3 216.344 2.043 20 0 BEADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCCF)C1 ZINC000866709703 589514595 /nfs/dbraw/zinc/51/45/95/589514595.db2.gz ZBNGTQHCPVPSNY-GFCCVEGCSA-N 1 3 216.344 2.043 20 0 BEADHO CC[C@@H]1CN(CCc2cccs2)CC[C@@H]1[NH3+] ZINC000122882848 589642606 /nfs/dbraw/zinc/64/26/06/589642606.db2.gz BYLXOVIVYIJYOQ-YPMHNXCESA-N 1 3 238.400 2.350 20 0 BEADHO CCN1CCN(c2cc[nH+]cc2C2CC2)C[C@H]1C ZINC000872492131 589944480 /nfs/dbraw/zinc/94/44/80/589944480.db2.gz CLHTUCODGWBRLZ-GFCCVEGCSA-N 1 3 245.370 2.489 20 0 BEADHO CCC[C@H](C)C[NH2+]C1(CCOC)CCNCC1 ZINC000873225426 589999030 /nfs/dbraw/zinc/99/90/30/589999030.db2.gz YGQPAWIWAVDQPU-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO CC1(C)CC[C@H](CNC2CCSCC2)[NH2+]C1 ZINC000873235871 590004122 /nfs/dbraw/zinc/00/41/22/590004122.db2.gz TVCPVLDRKMYTFY-GFCCVEGCSA-N 1 3 242.432 2.250 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873238969 590005601 /nfs/dbraw/zinc/00/56/01/590005601.db2.gz KQSVPWGASAJAKJ-WUHRBBMRSA-N 1 3 228.355 2.374 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000873243266 590006596 /nfs/dbraw/zinc/00/65/96/590006596.db2.gz KIRLUYYXGUDBRZ-FRRDWIJNSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000873254899 590009979 /nfs/dbraw/zinc/00/99/79/590009979.db2.gz ATERNKTVZKEUPO-QXEWZRGKSA-N 1 3 239.750 2.123 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000873254898 590010142 /nfs/dbraw/zinc/01/01/42/590010142.db2.gz ATERNKTVZKEUPO-FXPVBKGRSA-N 1 3 239.750 2.123 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000873260022 590013307 /nfs/dbraw/zinc/01/33/07/590013307.db2.gz QTNFJKUWSHEXEE-RVMXOQNASA-N 1 3 234.343 2.461 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC1([C@H]2CCCCO2)CCC1 ZINC000873277524 590017822 /nfs/dbraw/zinc/01/78/22/590017822.db2.gz TUTAKSXOFHCNMZ-YNEHKIRRSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC1CC(Nc2ccccc2)C1 ZINC000873295294 590024179 /nfs/dbraw/zinc/02/41/79/590024179.db2.gz DZJCTGJEOGJGPX-XOEAPDPESA-N 1 3 247.386 2.345 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873295294 590024181 /nfs/dbraw/zinc/02/41/81/590024181.db2.gz DZJCTGJEOGJGPX-XOEAPDPESA-N 1 3 247.386 2.345 20 0 BEADHO CCCC[NH2+]CCCN1CCC(C)CC1 ZINC000020146326 590078043 /nfs/dbraw/zinc/07/80/43/590078043.db2.gz KCSQLAFLUFBBCM-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CC[C@@H](C)[C@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC000876596488 590219916 /nfs/dbraw/zinc/21/99/16/590219916.db2.gz RGBUPVIQBLDEAD-OCCSQVGLSA-N 1 3 242.407 2.074 20 0 BEADHO CC[C@H](C)[C@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC000876596487 590219929 /nfs/dbraw/zinc/21/99/29/590219929.db2.gz RGBUPVIQBLDEAD-JSGCOSHPSA-N 1 3 242.407 2.074 20 0 BEADHO C[NH+](C)CCCCNCc1nc(Cl)cs1 ZINC000876988671 590265661 /nfs/dbraw/zinc/26/56/61/590265661.db2.gz IRUSYYWVYOAUIF-UHFFFAOYSA-N 1 3 247.795 2.228 20 0 BEADHO C[NH+]1CCC2(CCN(CC3(F)CC3)CC2)CC1 ZINC000877684799 590391947 /nfs/dbraw/zinc/39/19/47/590391947.db2.gz YMLOJIBEPJODPN-UHFFFAOYSA-N 1 3 240.366 2.296 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877740161 590406122 /nfs/dbraw/zinc/40/61/22/590406122.db2.gz IUCZJLMTGKADSU-CHWSQXEVSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877740161 590406124 /nfs/dbraw/zinc/40/61/24/590406124.db2.gz IUCZJLMTGKADSU-CHWSQXEVSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)C1(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000877738846 590406712 /nfs/dbraw/zinc/40/67/12/590406712.db2.gz MOAAABAGEOMOJB-UONOGXRCSA-N 1 3 236.403 2.449 20 0 BEADHO CC(C)C1(CN2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000877738846 590406715 /nfs/dbraw/zinc/40/67/15/590406715.db2.gz MOAAABAGEOMOJB-UONOGXRCSA-N 1 3 236.403 2.449 20 0 BEADHO C=C/C=C/CC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000878167687 590513843 /nfs/dbraw/zinc/51/38/43/590513843.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C/CC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000878167687 590513846 /nfs/dbraw/zinc/51/38/46/590513846.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C/CCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000878167687 590513849 /nfs/dbraw/zinc/51/38/49/590513849.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 1 3 222.376 2.392 20 0 BEADHO C=C/C=C/CCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167687 590513851 /nfs/dbraw/zinc/51/38/51/590513851.db2.gz XTAQYJGBDQPQLC-PSKZRQQASA-N 1 3 222.376 2.392 20 0 BEADHO CC[C@@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473798 591037720 /nfs/dbraw/zinc/03/77/20/591037720.db2.gz OVQGJRYAQTZDJR-GFCCVEGCSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)CC[C@@H]1[NH3+] ZINC000883417810 591653832 /nfs/dbraw/zinc/65/38/32/591653832.db2.gz NSFKDSANWZQVLX-WOPDTQHZSA-N 1 3 246.345 2.481 20 0 BEADHO C[C@@](C[NH3+])(NC[C@@H]1CCCC(C)(C)O1)C1CC1 ZINC000883418359 591654443 /nfs/dbraw/zinc/65/44/43/591654443.db2.gz FXHUPZLSVOKWHO-JSGCOSHPSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@](C[NH3+])(NC[C@@H]1CCCC(C)(C)O1)C1CC1 ZINC000883418358 591654594 /nfs/dbraw/zinc/65/45/94/591654594.db2.gz FXHUPZLSVOKWHO-GXTWGEPZSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCC2(CCC2)O1 ZINC000883429736 591659994 /nfs/dbraw/zinc/65/99/94/591659994.db2.gz CPOCJVUHIWFPHC-NEPJUHHUSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1C[C@@H](N)C[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000883438482 591667757 /nfs/dbraw/zinc/66/77/57/591667757.db2.gz UIVHTCINBGANIO-GMTAPVOTSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H]1C[C@@H](N)C[N@H+]1CC[C@H]1CCCC1(F)F ZINC000883438482 591667758 /nfs/dbraw/zinc/66/77/58/591667758.db2.gz UIVHTCINBGANIO-GMTAPVOTSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@@H]1CC[N@H+](CCCN)[C@H]1c1ccccc1 ZINC000886857793 592369214 /nfs/dbraw/zinc/36/92/14/592369214.db2.gz ADBFLKNMYIMBQP-TZMCWYRMSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCN)[C@H]1c1ccccc1 ZINC000886857793 592369219 /nfs/dbraw/zinc/36/92/19/592369219.db2.gz ADBFLKNMYIMBQP-TZMCWYRMSA-N 1 3 218.344 2.418 20 0 BEADHO CCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130847 592449014 /nfs/dbraw/zinc/44/90/14/592449014.db2.gz LRPCIFLAXJDBNT-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887130847 592449018 /nfs/dbraw/zinc/44/90/18/592449018.db2.gz LRPCIFLAXJDBNT-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887130847 592449020 /nfs/dbraw/zinc/44/90/20/592449020.db2.gz LRPCIFLAXJDBNT-CYBMUJFWSA-N 1 3 233.359 2.392 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000300387867 592510402 /nfs/dbraw/zinc/51/04/02/592510402.db2.gz NHDAINSJQPXXNM-RVMXOQNASA-N 1 3 242.432 2.378 20 0 BEADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000300999293 592526868 /nfs/dbraw/zinc/52/68/68/592526868.db2.gz VNOWWHMBAZWWCX-QWRGUYRKSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300999293 592526870 /nfs/dbraw/zinc/52/68/70/592526870.db2.gz VNOWWHMBAZWWCX-QWRGUYRKSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300999293 592526872 /nfs/dbraw/zinc/52/68/72/592526872.db2.gz VNOWWHMBAZWWCX-QWRGUYRKSA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000223779480 592543440 /nfs/dbraw/zinc/54/34/40/592543440.db2.gz NSYQRFYQGDCNLK-IHRRRGAJSA-N 1 3 240.391 2.053 20 0 BEADHO C[NH+](C)CCCNCc1cccc2ncccc12 ZINC000124200902 592716732 /nfs/dbraw/zinc/71/67/32/592716732.db2.gz FPPYRXBNRADQAD-UHFFFAOYSA-N 1 3 243.354 2.276 20 0 BEADHO C[C@H](CCN(C)CC1CC1)[N@@H+](C)CC1CC1 ZINC000431598239 635308205 /nfs/dbraw/zinc/30/82/05/635308205.db2.gz BSZUXGCKQJFZJG-GFCCVEGCSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC23CCC3)CCS1 ZINC000925857689 635549039 /nfs/dbraw/zinc/54/90/39/635549039.db2.gz HWDBZXXVPOCKLH-GRYCIOLGSA-N 1 3 240.416 2.145 20 0 BEADHO CC1(C)CN(CCCCCCC[NH3+])CCO1 ZINC000036232714 635555989 /nfs/dbraw/zinc/55/59/89/635555989.db2.gz CEVUVOVAKALPID-UHFFFAOYSA-N 1 3 228.380 2.006 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CCS1 ZINC000925860941 635556036 /nfs/dbraw/zinc/55/60/36/635556036.db2.gz MLFDHHIIDPJSML-FDYHWXHSSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@@H](CC[NH+](C)C)NC[C@H]1CC1(Cl)Cl ZINC000308695397 631520364 /nfs/dbraw/zinc/52/03/64/631520364.db2.gz STNFAOWEDDQDMB-DTWKUNHWSA-N 1 3 239.190 2.110 20 0 BEADHO C[N@H+](CCC1CC1)C[C@@]1(C)CCCNC1 ZINC000308810328 631528446 /nfs/dbraw/zinc/52/84/46/631528446.db2.gz CCVVCUSVWSKDJS-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@@H+](CCC1CC1)C[C@@]1(C)CCCNC1 ZINC000308810328 631528461 /nfs/dbraw/zinc/52/84/61/631528461.db2.gz CCVVCUSVWSKDJS-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CN(CCC1CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000308810328 631528471 /nfs/dbraw/zinc/52/84/71/631528471.db2.gz CCVVCUSVWSKDJS-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](CNC[C@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000062078931 631647117 /nfs/dbraw/zinc/64/71/17/631647117.db2.gz FYJRGXBPNXZONH-UONOGXRCSA-N 1 3 238.375 2.001 20 0 BEADHO CC[C@H](C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000848980947 631841753 /nfs/dbraw/zinc/84/17/53/631841753.db2.gz MHVFTLUVYZFLSR-LBPRGKRZSA-N 1 3 242.411 2.018 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCC1 ZINC000235088377 631944573 /nfs/dbraw/zinc/94/45/73/631944573.db2.gz JRPPMSVVLUEXAI-NWDGAFQWSA-N 1 3 242.432 2.379 20 0 BEADHO CC(C)N(C)CCC[NH2+]C1CC(C(F)F)C1 ZINC000309352588 632010408 /nfs/dbraw/zinc/01/04/08/632010408.db2.gz NFPUKFZPFKUWPH-UHFFFAOYSA-N 1 3 234.334 2.350 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000235165079 632391467 /nfs/dbraw/zinc/39/14/67/632391467.db2.gz NHDAINSJQPXXNM-YVECIDJPSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000157967006 632454717 /nfs/dbraw/zinc/45/47/17/632454717.db2.gz SAQMVCPTEJXAAY-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000157967006 632454723 /nfs/dbraw/zinc/45/47/23/632454723.db2.gz SAQMVCPTEJXAAY-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219751178 632561495 /nfs/dbraw/zinc/56/14/95/632561495.db2.gz STIHNLVQLMFBQI-MJBXVCDLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219751178 632561498 /nfs/dbraw/zinc/56/14/98/632561498.db2.gz STIHNLVQLMFBQI-MJBXVCDLSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1 ZINC000924543594 632795410 /nfs/dbraw/zinc/79/54/10/632795410.db2.gz UDAQWDVNQRLRCM-YIONKMFJSA-N 1 3 230.355 2.116 20 0 BEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCc1ccccc1 ZINC000924543594 632795417 /nfs/dbraw/zinc/79/54/17/632795417.db2.gz UDAQWDVNQRLRCM-YIONKMFJSA-N 1 3 230.355 2.116 20 0 BEADHO CCC1(C)CC[NH+](C[C@@H](N)CC(F)F)CC1 ZINC000309316865 632926815 /nfs/dbraw/zinc/92/68/15/632926815.db2.gz PLEBCDDDCXMXSU-JTQLQIEISA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@H](C)C[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328239239 633748228 /nfs/dbraw/zinc/74/82/28/633748228.db2.gz AQORXONMTIEWKH-YQFOFLOKSA-N 1 3 236.403 2.397 20 0 BEADHO CC[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228740337 633904400 /nfs/dbraw/zinc/90/44/00/633904400.db2.gz OCQSRSRIODELDZ-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228740337 633904403 /nfs/dbraw/zinc/90/44/03/633904403.db2.gz OCQSRSRIODELDZ-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO Cc1cc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925680744 634278929 /nfs/dbraw/zinc/27/89/29/634278929.db2.gz TVQFBMOWCWZVIA-KBPBESRZSA-N 1 3 247.386 2.386 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000925768159 635187777 /nfs/dbraw/zinc/18/77/77/635187777.db2.gz TVEPVVXCBNZBJL-CZUORRHYSA-N 1 3 246.398 2.451 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925772834 635218133 /nfs/dbraw/zinc/21/81/33/635218133.db2.gz KFSMWIXIYBTZAC-LZXPERKUSA-N 1 3 236.403 2.399 20 0 BEADHO [NH3+][C@@H]1CCCC[C@H]1NCCc1cccc(F)c1 ZINC000259217941 635256165 /nfs/dbraw/zinc/25/61/65/635256165.db2.gz XKTNHKVOIFQYEM-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@H](CCN(C)CC1CC1)[N@H+](C)CC1CC1 ZINC000431598239 635308198 /nfs/dbraw/zinc/30/81/98/635308198.db2.gz BSZUXGCKQJFZJG-GFCCVEGCSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000925790323 635316291 /nfs/dbraw/zinc/31/62/91/635316291.db2.gz GZEZJDSULBHEIV-LMWOUKEDSA-N 1 3 244.382 2.365 20 0 BEADHO Cc1ccc(OCCN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163197710 636212399 /nfs/dbraw/zinc/21/23/99/636212399.db2.gz LLBUTRIDTFBXIY-KGLIPLIRSA-N 1 3 248.370 2.043 20 0 BEADHO [NH3+]C[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC000430947396 636371357 /nfs/dbraw/zinc/37/13/57/636371357.db2.gz DQOGNGWUIMCEOT-ZDUSSCGKSA-N 1 3 240.391 2.006 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000089147130 636904710 /nfs/dbraw/zinc/90/47/10/636904710.db2.gz NOBBYMZAKNGVTO-OCCSQVGLSA-N 1 3 236.334 2.085 20 0 BEADHO CCCCCCN1CCC[C@H](C[NH2+]C)C1 ZINC000041043327 636954946 /nfs/dbraw/zinc/95/49/46/636954946.db2.gz MDXOIWYAGHUEKA-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CC1CC(C[N@@H+]2CC[C@]3(C2)CCCCN3)C1 ZINC000903788212 637381381 /nfs/dbraw/zinc/38/13/81/637381381.db2.gz FXSUYVUUWBEIPH-RUXDESIVSA-N 1 3 222.376 2.251 20 0 BEADHO CC1CC(C[N@H+]2CC[C@]3(C2)CCCCN3)C1 ZINC000903788212 637381389 /nfs/dbraw/zinc/38/13/89/637381389.db2.gz FXSUYVUUWBEIPH-RUXDESIVSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H](CC[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906516959 638187366 /nfs/dbraw/zinc/18/73/66/638187366.db2.gz ALQBRKYXOMTMNY-MRVWCRGKSA-N 1 3 218.344 2.260 20 0 BEADHO C[C@H](CCN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906516959 638187370 /nfs/dbraw/zinc/18/73/70/638187370.db2.gz ALQBRKYXOMTMNY-MRVWCRGKSA-N 1 3 218.344 2.260 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000906518916 638188590 /nfs/dbraw/zinc/18/85/90/638188590.db2.gz UXARPYILYBLTDX-DOLQZWNJSA-N 1 3 236.281 2.187 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2ccc(C(F)F)cc2)C1 ZINC000150284530 639477566 /nfs/dbraw/zinc/47/75/66/639477566.db2.gz VOTZIQZOEXNVHH-NSHDSACASA-N 1 3 240.297 2.405 20 0 BEADHO C[NH+]1C[C@@]2(C)CN(CCCCF)C[C@]2(C)C1 ZINC000931314354 640140737 /nfs/dbraw/zinc/14/07/37/640140737.db2.gz MNIQBESPNFNZCJ-STQMWFEESA-N 1 3 228.355 2.010 20 0 BEADHO C[NH+]1C[C@@]2(C)CN(CC3=CCCC3)C[C@]2(C)C1 ZINC000931318197 640154812 /nfs/dbraw/zinc/15/48/12/640154812.db2.gz SKECLPCYJSUJMG-GJZGRUSLSA-N 1 3 234.387 2.370 20 0 BEADHO CN(C)C1(C)CC[NH+](C[Si](C)(C)C)CC1 ZINC000931351498 640167522 /nfs/dbraw/zinc/16/75/22/640167522.db2.gz OXDLXLZETGYESY-UHFFFAOYSA-N 1 3 228.456 2.280 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000931764335 640357595 /nfs/dbraw/zinc/35/75/95/640357595.db2.gz PTIKMRHNJDXJOM-QWHCGFSZSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC000931764335 640357601 /nfs/dbraw/zinc/35/76/01/640357601.db2.gz PTIKMRHNJDXJOM-QWHCGFSZSA-N 1 3 245.370 2.391 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C[C@@H]1C ZINC000221706059 640418661 /nfs/dbraw/zinc/41/86/61/640418661.db2.gz KZPNGGIIRSSJII-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C[C@@H]1C ZINC000221706059 640418668 /nfs/dbraw/zinc/41/86/68/640418668.db2.gz KZPNGGIIRSSJII-RDBSUJKOSA-N 1 3 224.392 2.354 20 0 BEADHO CSCC[C@H](C)N(C)C[C@]1(C)CCC[NH2+]C1 ZINC000156903824 640516629 /nfs/dbraw/zinc/51/66/29/640516629.db2.gz CITRJNVQDBHUGK-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@H](C)[N@H+](C)C[C@]1(C)CCCNC1 ZINC000156903824 640516633 /nfs/dbraw/zinc/51/66/33/640516633.db2.gz CITRJNVQDBHUGK-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000156903824 640516635 /nfs/dbraw/zinc/51/66/35/640516635.db2.gz CITRJNVQDBHUGK-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000165424636 640574742 /nfs/dbraw/zinc/57/47/42/640574742.db2.gz HYLKQKNSKJWRHZ-NWDGAFQWSA-N 1 3 212.381 2.495 20 0 BEADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)C)C1 ZINC000165424354 640575157 /nfs/dbraw/zinc/57/51/57/640575157.db2.gz HYLKQKNSKJWRHZ-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000224206893 640605781 /nfs/dbraw/zinc/60/57/81/640605781.db2.gz AXCCSGLZYHMTOD-OLZOCXBDSA-N 1 3 218.344 2.071 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000224206893 640605785 /nfs/dbraw/zinc/60/57/85/640605785.db2.gz AXCCSGLZYHMTOD-OLZOCXBDSA-N 1 3 218.344 2.071 20 0 BEADHO CC[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000166351945 640631414 /nfs/dbraw/zinc/63/14/14/640631414.db2.gz OCQSRSRIODELDZ-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000166351945 640631416 /nfs/dbraw/zinc/63/14/16/640631416.db2.gz OCQSRSRIODELDZ-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](C[NH2+]C1CCSCC1)CN1CCCC1 ZINC000057994433 640659163 /nfs/dbraw/zinc/65/91/63/640659163.db2.gz BXDDLXYFJXXKSU-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000226564323 640776821 /nfs/dbraw/zinc/77/68/21/640776821.db2.gz IWKCFUXWOQMEID-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000226564323 640776827 /nfs/dbraw/zinc/77/68/27/640776827.db2.gz IWKCFUXWOQMEID-KBPBESRZSA-N 1 3 224.392 2.497 20 0 BEADHO CCCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228986599 640909073 /nfs/dbraw/zinc/90/90/73/640909073.db2.gz JHSGXEFDUZQBCQ-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO CCCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228986599 640909079 /nfs/dbraw/zinc/90/90/79/640909079.db2.gz JHSGXEFDUZQBCQ-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](CC[NH2+]C1CC(N)C1)c1ccccc1 ZINC000087651912 640957099 /nfs/dbraw/zinc/95/70/99/640957099.db2.gz ALQBRKYXOMTMNY-XGNXJENSSA-N 1 3 218.344 2.260 20 0 BEADHO C[C@@H](CCNC1CC([NH3+])C1)c1ccccc1 ZINC000087651912 640957101 /nfs/dbraw/zinc/95/71/01/640957101.db2.gz ALQBRKYXOMTMNY-XGNXJENSSA-N 1 3 218.344 2.260 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071317 641019044 /nfs/dbraw/zinc/01/90/44/641019044.db2.gz WFBMQJABEYOHOQ-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071321 641019815 /nfs/dbraw/zinc/01/98/15/641019815.db2.gz WFBMQJABEYOHOQ-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000230687127 641087794 /nfs/dbraw/zinc/08/77/94/641087794.db2.gz VUARDMXPTCUMJH-KFWWJZLASA-N 1 3 248.370 2.272 20 0 BEADHO CC(C)C[N@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000062862738 641100216 /nfs/dbraw/zinc/10/02/16/641100216.db2.gz JFZHJZPLDVFBPZ-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[N@@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000062862738 641100220 /nfs/dbraw/zinc/10/02/20/641100220.db2.gz JFZHJZPLDVFBPZ-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO CC[N@H+](CC(C)C)C[C@]1(C)CCCNC1 ZINC000062861957 641100545 /nfs/dbraw/zinc/10/05/45/641100545.db2.gz ISWYBJZHEAJENM-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC[N@@H+](CC(C)C)C[C@]1(C)CCCNC1 ZINC000062861957 641100547 /nfs/dbraw/zinc/10/05/47/641100547.db2.gz ISWYBJZHEAJENM-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000062861771 641101235 /nfs/dbraw/zinc/10/12/35/641101235.db2.gz STIHNLVQLMFBQI-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000062861771 641101239 /nfs/dbraw/zinc/10/12/39/641101239.db2.gz STIHNLVQLMFBQI-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@]1(C[NH+]2CCCCCC2)CCCNC1 ZINC000062861650 641101449 /nfs/dbraw/zinc/10/14/49/641101449.db2.gz APWLYCSLUVQFHW-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO CCC[N@H+](CC1CC1)C[C@@]1(C)CCCNC1 ZINC000062862530 641101573 /nfs/dbraw/zinc/10/15/73/641101573.db2.gz WHPMSOYHYLGSEL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[N@@H+](CC1CC1)C[C@@]1(C)CCCNC1 ZINC000062862530 641101577 /nfs/dbraw/zinc/10/15/77/641101577.db2.gz WHPMSOYHYLGSEL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)[N@H+](CC1CC1)C[C@]1(C)CCCNC1 ZINC000062862761 641101804 /nfs/dbraw/zinc/10/18/04/641101804.db2.gz VNKORHZEFWNGCF-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[N@@H+](CC1CC1)C[C@]1(C)CCCNC1 ZINC000062862761 641101807 /nfs/dbraw/zinc/10/18/07/641101807.db2.gz VNKORHZEFWNGCF-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(O)c1 ZINC000089149716 641477623 /nfs/dbraw/zinc/47/76/23/641477623.db2.gz REHLVQKFVNCCTM-ZKYQVNSYSA-N 1 3 234.343 2.170 20 0 BEADHO C[C@@H]([NH2+]CCCN(C)C)c1ccnc(Cl)c1 ZINC000151938120 641485852 /nfs/dbraw/zinc/48/58/52/641485852.db2.gz HGHCHVQHDICPMP-SNVBAGLBSA-N 1 3 241.766 2.337 20 0 BEADHO CCCC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000233042648 642647059 /nfs/dbraw/zinc/64/70/59/642647059.db2.gz IWCWAIAYNGSNEK-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO CC[N@H+](CC1CC1)C[C@]1(C)CCCNC1 ZINC000068947609 642813630 /nfs/dbraw/zinc/81/36/30/642813630.db2.gz YSOSVXWOLZAKGC-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@@H+](CC1CC1)C[C@]1(C)CCCNC1 ZINC000068947609 642813636 /nfs/dbraw/zinc/81/36/36/642813636.db2.gz YSOSVXWOLZAKGC-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CC1(C)CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000069794545 642906301 /nfs/dbraw/zinc/90/63/01/642906301.db2.gz ACXVFMOGXLWQFG-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000069794545 642906306 /nfs/dbraw/zinc/90/63/06/642906306.db2.gz ACXVFMOGXLWQFG-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000070585205 643043043 /nfs/dbraw/zinc/04/30/43/643043043.db2.gz JOKNLJCUMRLHPG-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000070585205 643043049 /nfs/dbraw/zinc/04/30/49/643043049.db2.gz JOKNLJCUMRLHPG-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000253310285 643191299 /nfs/dbraw/zinc/19/12/99/643191299.db2.gz UDXLALDOCZBSJW-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000233922587 643265244 /nfs/dbraw/zinc/26/52/44/643265244.db2.gz UXMBZFHWTXMKMS-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCC[N@H+](CCCNC2CC2)CC1 ZINC000082496677 643326856 /nfs/dbraw/zinc/32/68/56/643326856.db2.gz UFKLDOHGGVFOBH-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCC[N@@H+](CCCNC2CC2)CC1 ZINC000082496677 643326860 /nfs/dbraw/zinc/32/68/60/643326860.db2.gz UFKLDOHGGVFOBH-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)Cc2ccoc2)CCN1C ZINC000093644819 643339120 /nfs/dbraw/zinc/33/91/20/643339120.db2.gz HPWGCJQESPUINC-DGCLKSJQSA-N 1 3 222.332 2.194 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccoc2)CCN1C ZINC000093644819 643339124 /nfs/dbraw/zinc/33/91/24/643339124.db2.gz HPWGCJQESPUINC-DGCLKSJQSA-N 1 3 222.332 2.194 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000082602688 643352918 /nfs/dbraw/zinc/35/29/18/643352918.db2.gz CSAOBKPONLOJBB-WCQYABFASA-N 1 3 238.400 2.492 20 0 BEADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC000082602688 643352923 /nfs/dbraw/zinc/35/29/23/643352923.db2.gz CSAOBKPONLOJBB-WCQYABFASA-N 1 3 238.400 2.492 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCc2cccs2)C1 ZINC000082602425 643353974 /nfs/dbraw/zinc/35/39/74/643353974.db2.gz MLNLMZWHASRVET-LBPRGKRZSA-N 1 3 238.400 2.222 20 0 BEADHO C[C@@H]1CCC[N@H+](CCCNC2CC2)CC1 ZINC000082496676 643509465 /nfs/dbraw/zinc/50/94/65/643509465.db2.gz UFKLDOHGGVFOBH-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CCC[N@@H+](CCCNC2CC2)CC1 ZINC000082496676 643509467 /nfs/dbraw/zinc/50/94/67/643509467.db2.gz UFKLDOHGGVFOBH-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CC[C@H](C)[N@H+](CCCNC2CC2)C1 ZINC000084046561 643641737 /nfs/dbraw/zinc/64/17/37/643641737.db2.gz MXNKIBCQPHNFAG-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC[C@H](C)[N@@H+](CCCNC2CC2)C1 ZINC000084046561 643641740 /nfs/dbraw/zinc/64/17/40/643641740.db2.gz MXNKIBCQPHNFAG-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC[C@H](C)N(CCC[NH2+]C2CC2)C1 ZINC000084046561 643641748 /nfs/dbraw/zinc/64/17/48/643641748.db2.gz MXNKIBCQPHNFAG-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000084216481 643652054 /nfs/dbraw/zinc/65/20/54/643652054.db2.gz DKIKJVKJVORTIV-QWHCGFSZSA-N 1 3 238.400 2.398 20 0 BEADHO Cc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1C ZINC000050245459 643661812 /nfs/dbraw/zinc/66/18/12/643661812.db2.gz QYQVTZWGNRXXOR-AWEZNQCLSA-N 1 3 218.344 2.084 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@H]2CCC=CO2)CC1 ZINC000050267748 643670827 /nfs/dbraw/zinc/67/08/27/643670827.db2.gz ZRTWOPNPBSJQMO-AWEZNQCLSA-N 1 3 238.375 2.142 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccsc2)C1 ZINC000086404136 644130795 /nfs/dbraw/zinc/13/07/95/644130795.db2.gz MKWDGXXQKGBXIT-WDEREUQCSA-N 1 3 210.346 2.108 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN(CCc2cccc(F)c2)C1 ZINC000923333050 644354417 /nfs/dbraw/zinc/35/44/17/644354417.db2.gz SWWDHBFOGNKJMD-AAEUAGOBSA-N 1 3 236.334 2.037 20 0 BEADHO C[C@@H]1CN(CC2CCC3(CC3)CC2)C[C@@H]1[NH3+] ZINC000923365561 644375355 /nfs/dbraw/zinc/37/53/55/644375355.db2.gz FXYOPPCJFRBJHW-YPMHNXCESA-N 1 3 222.376 2.236 20 0 BEADHO CCCCCC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923367250 644377636 /nfs/dbraw/zinc/37/76/36/644377636.db2.gz DRCGRCFVOQQYEG-STQMWFEESA-N 1 3 244.423 2.281 20 0 BEADHO CCCCCC[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923383827 644396732 /nfs/dbraw/zinc/39/67/32/644396732.db2.gz MUDBCVAFYHMWNE-BFHYXJOUSA-N 1 3 242.407 2.177 20 0 BEADHO CCCCCC[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392202 644398143 /nfs/dbraw/zinc/39/81/43/644398143.db2.gz IIOZYAKZXCMRGU-IHRRRGAJSA-N 1 3 242.407 2.129 20 0 BEADHO CC1(C)C(C[NH2+][C@@H]2CCC[C@H]2CN)C1(C)C ZINC000086239370 644457785 /nfs/dbraw/zinc/45/77/85/644457785.db2.gz OPBQTRQDAUQQDK-WDEREUQCSA-N 1 3 224.392 2.386 20 0 BEADHO CC1(C)C(C[NH2+][C@@H]2CCC[C@@H]2CN)C1(C)C ZINC000086239368 644459394 /nfs/dbraw/zinc/45/93/94/644459394.db2.gz OPBQTRQDAUQQDK-GHMZBOCLSA-N 1 3 224.392 2.386 20 0 BEADHO C(C[N@@H+]1CC[C@@]2(C1)CCCCN2)C1CCC1 ZINC000923533044 644489130 /nfs/dbraw/zinc/48/91/30/644489130.db2.gz JADHBUKABYKUTD-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO C(C[N@H+]1CC[C@@]2(C1)CCCCN2)C1CCC1 ZINC000923533044 644489136 /nfs/dbraw/zinc/48/91/36/644489136.db2.gz JADHBUKABYKUTD-CQSZACIVSA-N 1 3 222.376 2.395 20 0 BEADHO CN(Cc1ccoc1)CC1CC[NH+](C)CC1 ZINC000093089227 644678045 /nfs/dbraw/zinc/67/80/45/644678045.db2.gz BVAUXTURQWMXNE-UHFFFAOYSA-N 1 3 222.332 2.053 20 0 BEADHO CCOc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093214536 644681546 /nfs/dbraw/zinc/68/15/46/644681546.db2.gz YGBASGVGNRNHMI-ZIAGYGMSSA-N 1 3 248.370 2.445 20 0 BEADHO CCOc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214532 644681616 /nfs/dbraw/zinc/68/16/16/644681616.db2.gz YGBASGVGNRNHMI-UONOGXRCSA-N 1 3 248.370 2.445 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2occc21 ZINC000250154449 644747660 /nfs/dbraw/zinc/74/76/60/644747660.db2.gz CCYUQOXJJFPZIR-DRZSPHRISA-N 1 3 234.343 2.374 20 0 BEADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccc(O)c1 ZINC000251554820 644809203 /nfs/dbraw/zinc/80/92/03/644809203.db2.gz REHLVQKFVNCCTM-JKOKRWQUSA-N 1 3 234.343 2.170 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1C ZINC000253068703 644934088 /nfs/dbraw/zinc/93/40/88/644934088.db2.gz KZPNGGIIRSSJII-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1C ZINC000253068703 644934092 /nfs/dbraw/zinc/93/40/92/644934092.db2.gz KZPNGGIIRSSJII-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1CCN(CCc2cccs2)C[C@H]1C[NH3+] ZINC000253202447 644944060 /nfs/dbraw/zinc/94/40/60/644944060.db2.gz YXIKOPUIGYRLET-NWDGAFQWSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@H]1CC[N@H+](CCc2cccs2)C[C@H]1CN ZINC000253202447 644944062 /nfs/dbraw/zinc/94/40/62/644944062.db2.gz YXIKOPUIGYRLET-NWDGAFQWSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@H]1CC[N@@H+](CCc2cccs2)C[C@H]1CN ZINC000253202447 644944066 /nfs/dbraw/zinc/94/40/66/644944066.db2.gz YXIKOPUIGYRLET-NWDGAFQWSA-N 1 3 238.400 2.207 20 0 BEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCCC[C@H]1F ZINC000926588524 645301340 /nfs/dbraw/zinc/30/13/40/645301340.db2.gz ZEHQOHPLPOXMLO-DYPLGBCKSA-N 1 3 240.366 2.197 20 0 BEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1CCCC[C@H]1F ZINC000926588524 645301351 /nfs/dbraw/zinc/30/13/51/645301351.db2.gz ZEHQOHPLPOXMLO-DYPLGBCKSA-N 1 3 240.366 2.197 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC=CCC1 ZINC000924805590 646108174 /nfs/dbraw/zinc/10/81/74/646108174.db2.gz KPOXQLILXAGQCI-RDGKXADDSA-N 1 3 234.387 2.273 20 0 BEADHO CC1(C)[C@H]([NH2+]CC2CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925484377 646296358 /nfs/dbraw/zinc/29/63/58/646296358.db2.gz DLUYBUQKDFSJDE-FRRDWIJNSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C1CCSCC1 ZINC000925486336 646296821 /nfs/dbraw/zinc/29/68/21/646296821.db2.gz HDJRPHKBCLJOLH-GFCCVEGCSA-N 1 3 240.416 2.004 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925493398 646299886 /nfs/dbraw/zinc/29/98/86/646299886.db2.gz XMMJOLSBMOSNJY-ZRJCITRHSA-N 1 3 222.376 2.153 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CCC1 ZINC000925498570 646300959 /nfs/dbraw/zinc/30/09/59/646300959.db2.gz QTHGDARFAPQRJR-FUNVUKJBSA-N 1 3 222.376 2.106 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccnc2)C1 ZINC000925494071 646302577 /nfs/dbraw/zinc/30/25/77/646302577.db2.gz MZNDAPHUPGHAGB-STQMWFEESA-N 1 3 233.359 2.077 20 0 BEADHO C([NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000925535041 646322975 /nfs/dbraw/zinc/32/29/75/646322975.db2.gz BBCVLLJUXFRRNN-ZIAGYGMSSA-N 1 3 222.376 2.154 20 0 BEADHO C1CC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925593392 646349117 /nfs/dbraw/zinc/34/91/17/646349117.db2.gz GGQBTUVBDVPIED-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)C[C@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925595398 646351963 /nfs/dbraw/zinc/35/19/63/646351963.db2.gz JVOFGJKDQYGHSY-RNJOBUHISA-N 1 3 236.403 2.399 20 0 BEADHO C1=CC[C@@H](C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925618855 646364235 /nfs/dbraw/zinc/36/42/35/646364235.db2.gz YQMICPZXFDFKHX-CHWSQXEVSA-N 1 3 220.360 2.217 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C12CCC(CC1)C2 ZINC000925627446 646373847 /nfs/dbraw/zinc/37/38/47/646373847.db2.gz YUDDWWQGAIHEJQ-ROKHWSDSSA-N 1 3 234.387 2.441 20 0 BEADHO CS[C@H](CN[C@H]1CCC[NH2+][C@H]1C)C(C)(C)C ZINC000925637743 646381995 /nfs/dbraw/zinc/38/19/95/646381995.db2.gz QWPBZPVLUFSIRP-SDDRHHMPSA-N 1 3 244.448 2.494 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NC2CC(F)(F)C2)C1 ZINC000925651483 646392206 /nfs/dbraw/zinc/39/22/06/646392206.db2.gz DKHKASJHYIMKGR-DTWKUNHWSA-N 1 3 232.318 2.280 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCC2(C(F)(F)F)CC2)C12CCC2 ZINC000925673874 646402148 /nfs/dbraw/zinc/40/21/48/646402148.db2.gz ZJMVQAYFEKCZHG-RKDXNWHRSA-N 1 3 248.292 2.188 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCC2(C(F)(F)F)CC2)C12CCC2 ZINC000925673870 646402635 /nfs/dbraw/zinc/40/26/35/646402635.db2.gz ZJMVQAYFEKCZHG-DTWKUNHWSA-N 1 3 248.292 2.188 20 0 BEADHO C[C@H](F)CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925678175 646406542 /nfs/dbraw/zinc/40/65/42/646406542.db2.gz SJWZGBOLSZQDON-FPMFFAJLSA-N 1 3 242.382 2.492 20 0 BEADHO Cc1ccncc1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925689370 646414500 /nfs/dbraw/zinc/41/45/00/646414500.db2.gz IESRDSOOINPOQO-ZIAGYGMSSA-N 1 3 247.386 2.386 20 0 BEADHO CC1(C)[C@H](C[NH2+][C@H]2C[C@H](N)C23CCC3)C1(F)F ZINC000925706540 646431120 /nfs/dbraw/zinc/43/11/20/646431120.db2.gz LLTUUONSHAUPFU-GUBZILKMSA-N 1 3 244.329 2.137 20 0 BEADHO CC1(C)[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1(F)F ZINC000925706540 646431123 /nfs/dbraw/zinc/43/11/23/646431123.db2.gz LLTUUONSHAUPFU-GUBZILKMSA-N 1 3 244.329 2.137 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCCc2ccoc2)C1 ZINC000925709032 646432528 /nfs/dbraw/zinc/43/25/28/646432528.db2.gz NRAAXZIZOOCWHS-CHWSQXEVSA-N 1 3 236.359 2.318 20 0 BEADHO CC1(C)C[C@@H](NCCc2ccoc2)C[C@@H]([NH3+])C1 ZINC000925709033 646433354 /nfs/dbraw/zinc/43/33/54/646433354.db2.gz NRAAXZIZOOCWHS-OLZOCXBDSA-N 1 3 236.359 2.318 20 0 BEADHO CC1(C)C[C@@H](NCc2cccc(N)c2)C[C@@H]([NH3+])C1 ZINC000925714676 646438641 /nfs/dbraw/zinc/43/86/41/646438641.db2.gz USGLLNWVXHBYMA-KGLIPLIRSA-N 1 3 247.386 2.264 20 0 BEADHO C(C[C@@H]1CCSC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000925724806 646449700 /nfs/dbraw/zinc/44/97/00/646449700.db2.gz NFKSQEZRYFVIGK-VXGBXAGGSA-N 1 3 240.416 2.004 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000925731009 646454381 /nfs/dbraw/zinc/45/43/81/646454381.db2.gz IURIOVSCAXCGHD-CRWXNKLISA-N 1 3 234.387 2.319 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)C1CNC1 ZINC000925736690 646460912 /nfs/dbraw/zinc/46/09/12/646460912.db2.gz NKINWFACRIDFJV-GXSJLCMTSA-N 1 3 232.318 2.009 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CC1(C)C ZINC000925782484 646464764 /nfs/dbraw/zinc/46/47/64/646464764.db2.gz GPTYSDYTAUYRCA-WRWGMCAJSA-N 1 3 210.365 2.009 20 0 BEADHO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000925785498 646480717 /nfs/dbraw/zinc/48/07/17/646480717.db2.gz PLJRYAGMRCVNHY-FDYHWXHSSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CC(F)(F)C1 ZINC000926475777 646653055 /nfs/dbraw/zinc/65/30/55/646653055.db2.gz WRQLENAYLVIRRR-VHSXEESVSA-N 1 3 234.334 2.208 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1CC(F)(F)C1)CN(C)C ZINC000926475773 646653604 /nfs/dbraw/zinc/65/36/04/646653604.db2.gz WRQLENAYLVIRRR-NXEZZACHSA-N 1 3 234.334 2.208 20 0 BEADHO C[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)CN(C)C ZINC000926474046 646654034 /nfs/dbraw/zinc/65/40/34/646654034.db2.gz NQAKDHNFRMIUOQ-XJFOESAGSA-N 1 3 222.376 2.128 20 0 BEADHO CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H](C)CN(C)C ZINC000926473701 646654093 /nfs/dbraw/zinc/65/40/93/646654093.db2.gz NFBPHRKEVWFKTC-MJBXVCDLSA-N 1 3 244.423 2.103 20 0 BEADHO NC1CC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000087651570 711546030 /nfs/dbraw/zinc/54/60/30/711546030.db2.gz UXARPYILYBLTDX-QGVKSAJWSA-N 1 3 236.281 2.187 20 0 BEADHO CC[C@H]1C[C@H](C)C[N@@H+]1CCCNC1CC1 ZINC000399137192 711744255 /nfs/dbraw/zinc/74/42/55/711744255.db2.gz XPEFBDVWXYJPFC-AAEUAGOBSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]1C[C@H](C)C[N@H+]1CCCNC1CC1 ZINC000399137192 711744258 /nfs/dbraw/zinc/74/42/58/711744258.db2.gz XPEFBDVWXYJPFC-AAEUAGOBSA-N 1 3 210.365 2.249 20 0 BEADHO Cc1ccsc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229065719 711837327 /nfs/dbraw/zinc/83/73/27/711837327.db2.gz DSFLDCQYYBKWSA-PWSUYJOCSA-N 1 3 238.400 2.473 20 0 BEADHO COC[C@@H](C[N@@H+]1CCCC[C@H]1CCN)C(C)C ZINC000721959265 711947885 /nfs/dbraw/zinc/94/78/85/711947885.db2.gz HGMRSTZDTFIJAJ-KGLIPLIRSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@@H](C[N@H+]1CCCC[C@H]1CCN)C(C)C ZINC000721959265 711947888 /nfs/dbraw/zinc/94/78/88/711947888.db2.gz HGMRSTZDTFIJAJ-KGLIPLIRSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H](CC[NH2+]Cc1cccs1)N(C)C ZINC000700489242 711994399 /nfs/dbraw/zinc/99/43/99/711994399.db2.gz PKHYRYLVFMHRIC-JTQLQIEISA-N 1 3 212.362 2.178 20 0 BEADHO CCC[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)OCC ZINC000705378630 712129850 /nfs/dbraw/zinc/12/98/50/712129850.db2.gz YTUHMTNIGDNSSE-AGIUHOORSA-N 1 3 240.391 2.051 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)OCC ZINC000705378630 712129852 /nfs/dbraw/zinc/12/98/52/712129852.db2.gz YTUHMTNIGDNSSE-AGIUHOORSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](CN)C1)CC(C)(C)C ZINC000709120945 712209335 /nfs/dbraw/zinc/20/93/35/712209335.db2.gz BADAMCPPXGMCIS-RYUDHWBXSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](CN)C1)CC(C)(C)C ZINC000709120945 712209336 /nfs/dbraw/zinc/20/93/36/712209336.db2.gz BADAMCPPXGMCIS-RYUDHWBXSA-N 1 3 212.381 2.339 20 0 BEADHO CC1(C)C[C@H](C[NH+]2CCC(N)CC2)C(C)(C)O1 ZINC000709685953 712215543 /nfs/dbraw/zinc/21/55/43/712215543.db2.gz LPSMNBCZUOJPMZ-LLVKDONJSA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)C[C@H](CN2CCC([NH3+])CC2)C(C)(C)O1 ZINC000709685953 712215545 /nfs/dbraw/zinc/21/55/45/712215545.db2.gz LPSMNBCZUOJPMZ-LLVKDONJSA-N 1 3 240.391 2.003 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709698154 712216059 /nfs/dbraw/zinc/21/60/59/712216059.db2.gz YTUXCMXFSCHOCV-LBPRGKRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C(C)(F)F ZINC000711245148 712291292 /nfs/dbraw/zinc/29/12/92/712291292.db2.gz JRDVKEQCLGZEKO-ZJUUUORDSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@@H]1CSCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000379538599 712387775 /nfs/dbraw/zinc/38/77/75/712387775.db2.gz DRSYCTADWCUIAM-QWHCGFSZSA-N 1 3 242.432 2.061 20 0 BEADHO C[C@@H]1CSCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000379538599 712387776 /nfs/dbraw/zinc/38/77/76/712387776.db2.gz DRSYCTADWCUIAM-QWHCGFSZSA-N 1 3 242.432 2.061 20 0 BEADHO CN(C[C@H]1CCC2(CCC2)O1)CC(C)(C)C[NH3+] ZINC000712437661 712430105 /nfs/dbraw/zinc/43/01/05/712430105.db2.gz KDLFJPGNFGKVPW-GFCCVEGCSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CCC[C@@H](C[N@@H+]2CCCC[C@H]2CN)O1 ZINC000714332677 712482147 /nfs/dbraw/zinc/48/21/47/712482147.db2.gz XOONDTDWMVOKRK-STQMWFEESA-N 1 3 240.391 2.147 20 0 BEADHO CC1(C)CCC[C@@H](C[N@H+]2CCCC[C@H]2CN)O1 ZINC000714332677 712482149 /nfs/dbraw/zinc/48/21/49/712482149.db2.gz XOONDTDWMVOKRK-STQMWFEESA-N 1 3 240.391 2.147 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCCC(C)(C)O2)CC[C@@H]1[NH3+] ZINC000714368280 712483763 /nfs/dbraw/zinc/48/37/63/712483763.db2.gz LXBMOZOZVGYZEX-AGIUHOORSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)CN1CCCC1 ZINC000393727811 710670657 /nfs/dbraw/zinc/67/06/57/710670657.db2.gz APFGDIIJNQNMRP-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@]1(C[N@@H+]2CCC3(CCC3)C2)CCCNC1 ZINC000380534490 712901295 /nfs/dbraw/zinc/90/12/95/712901295.db2.gz NAWZWCAYTRBMFD-ZDUSSCGKSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@]1(C[N@H+]2CCC3(CCC3)C2)CCCNC1 ZINC000380534490 712901296 /nfs/dbraw/zinc/90/12/96/712901296.db2.gz NAWZWCAYTRBMFD-ZDUSSCGKSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@@H]1OCCN(CCCCCCC[NH3+])[C@H]1C ZINC000380492811 712901390 /nfs/dbraw/zinc/90/13/90/712901390.db2.gz AYTFQNFSUKSUIY-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]([N@H+](C)C[C@]1(C)CCCNC1)C1(C)CC1 ZINC000385467754 711013080 /nfs/dbraw/zinc/01/30/80/711013080.db2.gz ORWSYBSOILDMJJ-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([N@@H+](C)C[C@]1(C)CCCNC1)C1(C)CC1 ZINC000385467754 711013083 /nfs/dbraw/zinc/01/30/83/711013083.db2.gz ORWSYBSOILDMJJ-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(C1CC1)C1CC1 ZINC000385587167 711014366 /nfs/dbraw/zinc/01/43/66/711014366.db2.gz HFRKBDVSGKOVED-XNHWPECASA-N 1 3 246.398 2.009 20 0 BEADHO CC1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000385514715 711015372 /nfs/dbraw/zinc/01/53/72/711015372.db2.gz NXSGCMTXMTUIAX-SEEQJVSKSA-N 1 3 248.414 2.399 20 0 BEADHO CC(C)(CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000385592991 711016032 /nfs/dbraw/zinc/01/60/32/711016032.db2.gz IZMANBUPJVFUCD-WPTOEGHWSA-N 1 3 248.414 2.399 20 0 BEADHO CC(C)[C@@H]1CCCN1C[C@H]([NH3+])CC(F)F ZINC000389668975 711084897 /nfs/dbraw/zinc/08/48/97/711084897.db2.gz SJKUAHWRFHJXTG-ZJUUUORDSA-N 1 3 220.307 2.089 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000392816590 711152471 /nfs/dbraw/zinc/15/24/71/711152471.db2.gz ANNOJOUXQBLVBW-MRKIUDBFSA-N 1 3 234.387 2.151 20 0 BEADHO CC[C@@H]1C[N@H+](CCCC2CC2)CC[C@@H]1N ZINC000394569086 711195183 /nfs/dbraw/zinc/19/51/83/711195183.db2.gz PDFMDFMPYRTMJC-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1N ZINC000394569086 711195184 /nfs/dbraw/zinc/19/51/84/711195184.db2.gz PDFMDFMPYRTMJC-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CN(CCCC2CC2)CC[C@@H]1[NH3+] ZINC000394569086 711195187 /nfs/dbraw/zinc/19/51/87/711195187.db2.gz PDFMDFMPYRTMJC-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[N@H+](CCCC2CC2)C[C@H]1CN ZINC000394668596 711196923 /nfs/dbraw/zinc/19/69/23/711196923.db2.gz RAZGDHCSDURKLG-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@H]1CN ZINC000394668596 711196925 /nfs/dbraw/zinc/19/69/25/711196925.db2.gz RAZGDHCSDURKLG-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO CC(C)C1(CN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396703513 711365966 /nfs/dbraw/zinc/36/59/66/711365966.db2.gz LUUKNPROTGXGES-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO CO[C@@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000382366589 711503337 /nfs/dbraw/zinc/50/33/37/711503337.db2.gz XZADMMOQHNPRKP-ZFWWWQNUSA-N 1 3 248.370 2.045 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000723106495 711504245 /nfs/dbraw/zinc/50/42/45/711504245.db2.gz MOFQPXWZTMTOCU-HZSPNIEDSA-N 1 3 222.376 2.108 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000723106495 711504246 /nfs/dbraw/zinc/50/42/46/711504246.db2.gz MOFQPXWZTMTOCU-HZSPNIEDSA-N 1 3 222.376 2.108 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CC=CC1 ZINC000724203846 711569555 /nfs/dbraw/zinc/56/95/55/711569555.db2.gz VWZFYEKQMDPKCQ-UONOGXRCSA-N 1 3 222.376 2.450 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000724203844 711569618 /nfs/dbraw/zinc/56/96/18/711569618.db2.gz VWZFYEKQMDPKCQ-KGLIPLIRSA-N 1 3 222.376 2.450 20 0 BEADHO C[C@@H]1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383104495 711667943 /nfs/dbraw/zinc/66/79/43/711667943.db2.gz CSVRDWRYGUNIQM-UBRSESRLSA-N 1 3 234.387 2.009 20 0 BEADHO C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216510 711937719 /nfs/dbraw/zinc/93/77/19/711937719.db2.gz PYJSRPWPNRDONH-UPJWGTAASA-N 1 3 220.360 2.049 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000700812279 712006817 /nfs/dbraw/zinc/00/68/17/712006817.db2.gz HRXWHALCXXTDFG-UONOGXRCSA-N 1 3 238.375 2.001 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000700812276 712007022 /nfs/dbraw/zinc/00/70/22/712007022.db2.gz HRXWHALCXXTDFG-KBPBESRZSA-N 1 3 238.375 2.001 20 0 BEADHO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000701983931 712034403 /nfs/dbraw/zinc/03/44/03/712034403.db2.gz IZONWNBNWQMXKO-GMXVVIOVSA-N 1 3 210.365 2.140 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704797960 712117786 /nfs/dbraw/zinc/11/77/86/712117786.db2.gz OHMRMFJRKQRKCX-AGIUHOORSA-N 1 3 242.432 2.237 20 0 BEADHO CCC[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)OCC ZINC000705378633 712129711 /nfs/dbraw/zinc/12/97/11/712129711.db2.gz YTUHMTNIGDNSSE-UPJWGTAASA-N 1 3 240.391 2.051 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)OCC ZINC000705378633 712129713 /nfs/dbraw/zinc/12/97/13/712129713.db2.gz YTUHMTNIGDNSSE-UPJWGTAASA-N 1 3 240.391 2.051 20 0 BEADHO CC[N@H+](CCCNC1CC1)[C@H](C)C(C)C ZINC000706481196 712147546 /nfs/dbraw/zinc/14/75/46/712147546.db2.gz QLNZUHYTADAENI-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO CC[N@@H+](CCCNC1CC1)[C@H](C)C(C)C ZINC000706481196 712147549 /nfs/dbraw/zinc/14/75/49/712147549.db2.gz QLNZUHYTADAENI-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000706927320 712161859 /nfs/dbraw/zinc/16/18/59/712161859.db2.gz GSQRQQHTWZHUQP-IGJPJIBNSA-N 1 3 240.416 2.097 20 0 BEADHO Cc1cc(C)nc(NCC2CC[NH+](C)CC2)c1 ZINC000707940052 712174170 /nfs/dbraw/zinc/17/41/70/712174170.db2.gz FAHNBPZXFAPNDZ-UHFFFAOYSA-N 1 3 233.359 2.452 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@H](CN)C1)CC(C)(C)C ZINC000709120949 712209228 /nfs/dbraw/zinc/20/92/28/712209228.db2.gz BADAMCPPXGMCIS-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@H](CN)C1)CC(C)(C)C ZINC000709120949 712209229 /nfs/dbraw/zinc/20/92/29/712209229.db2.gz BADAMCPPXGMCIS-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO C1=CCC(C[N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000709919932 712232710 /nfs/dbraw/zinc/23/27/10/712232710.db2.gz OAGSLJOBUOKMOK-AWEZNQCLSA-N 1 3 220.360 2.028 20 0 BEADHO C1=CCC(C[N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000709919932 712232713 /nfs/dbraw/zinc/23/27/13/712232713.db2.gz OAGSLJOBUOKMOK-AWEZNQCLSA-N 1 3 220.360 2.028 20 0 BEADHO C[C@H](C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1)C(C)(C)C ZINC000710720033 712255477 /nfs/dbraw/zinc/25/54/77/712255477.db2.gz MCNNFYDAQMKNOB-FRRDWIJNSA-N 1 3 224.392 2.210 20 0 BEADHO C[C@H](C[N@H+]1C[C@@H]2CCNC[C@@H]2C1)C(C)(C)C ZINC000710720033 712255479 /nfs/dbraw/zinc/25/54/79/712255479.db2.gz MCNNFYDAQMKNOB-FRRDWIJNSA-N 1 3 224.392 2.210 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711417447 712299172 /nfs/dbraw/zinc/29/91/72/712299172.db2.gz VWQFIXDFWMODNR-NWDGAFQWSA-N 1 3 216.344 2.041 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711417447 712299175 /nfs/dbraw/zinc/29/91/75/712299175.db2.gz VWQFIXDFWMODNR-NWDGAFQWSA-N 1 3 216.344 2.041 20 0 BEADHO Cc1cc(NC[C@H]2CCN2C)c2ccccc2[nH+]1 ZINC000712525122 712440832 /nfs/dbraw/zinc/44/08/32/712440832.db2.gz BKDBYXIFBPXPKK-GFCCVEGCSA-N 1 3 241.338 2.081 20 0 BEADHO C=C/C=C\CC[NH2+][C@H]1CCNCC1(C)C ZINC000713464409 712460663 /nfs/dbraw/zinc/46/06/63/712460663.db2.gz JSGYHVNZIVNYSQ-FJOGCWAESA-N 1 3 208.349 2.096 20 0 BEADHO C=C/C=C/CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000713731293 712470858 /nfs/dbraw/zinc/47/08/58/712470858.db2.gz FDRSGQFQADQSIX-ZIRQINBESA-N 1 3 220.360 2.334 20 0 BEADHO C=C/C=C/CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000713753762 712471468 /nfs/dbraw/zinc/47/14/68/712471468.db2.gz FGBIVYHQVQOHEB-VXNNLABOSA-N 1 3 222.376 2.424 20 0 BEADHO C=C/C=C/CC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000713753762 712471470 /nfs/dbraw/zinc/47/14/70/712471470.db2.gz FGBIVYHQVQOHEB-VXNNLABOSA-N 1 3 222.376 2.424 20 0 BEADHO CN(C[C@@H]1CCCC(C)(C)O1)CC(C)(C)C[NH3+] ZINC000714379847 712480093 /nfs/dbraw/zinc/48/00/93/712480093.db2.gz LUDIVIZJJGKFOA-LBPRGKRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)(C[NH3+])C1CCN(Cc2ccccn2)CC1 ZINC000714454427 712490328 /nfs/dbraw/zinc/49/03/28/712490328.db2.gz FZJLHLVTVLZNHI-UHFFFAOYSA-N 1 3 247.386 2.279 20 0 BEADHO CCC[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)OC ZINC000715532492 712526159 /nfs/dbraw/zinc/52/61/59/712526159.db2.gz MLNDFDKCAGEFDD-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](CN[C@H]1CCC[C@H]([NH+](C)C)C1)OC ZINC000715532492 712526160 /nfs/dbraw/zinc/52/61/60/712526160.db2.gz MLNDFDKCAGEFDD-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@](C)(C[NH2+][C@H]1CCC[C@H](N(C)C)C1)OC ZINC000715543932 712527346 /nfs/dbraw/zinc/52/73/46/712527346.db2.gz OSFVEERIKZPQLK-MELADBBJSA-N 1 3 242.407 2.264 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715600102 712527772 /nfs/dbraw/zinc/52/77/72/712527772.db2.gz ICKMLSBPIRKXSS-YNEHKIRRSA-N 1 3 242.432 2.379 20 0 BEADHO CC[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)CO1 ZINC000715560756 712528822 /nfs/dbraw/zinc/52/88/22/712528822.db2.gz DSWDTWUOPPHTQA-IGQOVBAYSA-N 1 3 240.391 2.016 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CO1 ZINC000715560756 712528823 /nfs/dbraw/zinc/52/88/23/712528823.db2.gz DSWDTWUOPPHTQA-IGQOVBAYSA-N 1 3 240.391 2.016 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000379998802 712651560 /nfs/dbraw/zinc/65/15/60/712651560.db2.gz LIUIRKUBVWPABZ-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)c2ccccc21 ZINC000380030305 712683494 /nfs/dbraw/zinc/68/34/94/712683494.db2.gz YVCMSVADYWBNMR-KCPJHIHWSA-N 1 3 244.338 2.414 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCSC1)CN1CCCCC1 ZINC000038041651 712801403 /nfs/dbraw/zinc/80/14/03/712801403.db2.gz GIKKLCGTDAZDLJ-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)CCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720806741 712867141 /nfs/dbraw/zinc/86/71/41/712867141.db2.gz RAOPMJCQJXMOQS-VHSXEESVSA-N 1 3 238.297 2.102 20 0 BEADHO CCC(CC)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC000308846795 959526849 /nfs/dbraw/zinc/52/68/49/959526849.db2.gz LPOARYKWNJFOKF-ZDUSSCGKSA-N 1 3 212.381 2.483 20 0 BEADHO CCC(CC)C[N@H+]1CCCC[C@@H](CN)C1 ZINC000308846795 959526862 /nfs/dbraw/zinc/52/68/62/959526862.db2.gz LPOARYKWNJFOKF-ZDUSSCGKSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]1CC[C@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000309517382 959897410 /nfs/dbraw/zinc/89/74/10/959897410.db2.gz ZAMQIZUWKCYYKI-NEPJUHHUSA-N 1 3 210.365 2.378 20 0 BEADHO CCCC[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000697868677 964596203 /nfs/dbraw/zinc/59/62/03/964596203.db2.gz CKOTXFUXPXHAKE-VXGBXAGGSA-N 1 3 200.370 2.495 20 0 BEADHO CC1(CN2CC[C@H]3C[C@@]3([NH3+])C2)CCCCC1 ZINC001235166334 966023698 /nfs/dbraw/zinc/02/36/98/966023698.db2.gz RICTZLRAHPNZRH-GXTWGEPZSA-N 1 3 222.376 2.380 20 0 BEADHO Cc1csc(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205102631 967346595 /nfs/dbraw/zinc/34/65/95/967346595.db2.gz UWUBOUPYXSNAAX-LLVKDONJSA-N 1 3 224.373 2.370 20 0 BEADHO CSCC[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000707909434 967388562 /nfs/dbraw/zinc/38/85/62/967388562.db2.gz HXMJSQJESRDPSZ-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO [NH3+]CCCCN1CCc2c(Cl)cccc2C1 ZINC000082790932 1166079308 /nfs/dbraw/zinc/07/93/08/1166079308.db2.gz NIWLLAPDKRVBQY-UHFFFAOYSA-N 1 3 238.762 2.437 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609272 969147581 /nfs/dbraw/zinc/14/75/81/969147581.db2.gz ZYJZLEJZRJHNIO-NEPJUHHUSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609272 969147589 /nfs/dbraw/zinc/14/75/89/969147589.db2.gz ZYJZLEJZRJHNIO-NEPJUHHUSA-N 1 3 246.345 2.305 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC001207285370 1166272991 /nfs/dbraw/zinc/27/29/91/1166272991.db2.gz IITLRCSTTFDZRJ-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001207285370 1166272997 /nfs/dbraw/zinc/27/29/97/1166272997.db2.gz IITLRCSTTFDZRJ-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CCCCC[C@H](O)CN(CC)CCC[NH+](C)C ZINC001253540538 969211022 /nfs/dbraw/zinc/21/10/22/969211022.db2.gz FIYKEFJNKVNPFP-AWEZNQCLSA-N 1 3 244.423 2.201 20 0 BEADHO CC/C=C\CCN1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001208733023 969217085 /nfs/dbraw/zinc/21/70/85/969217085.db2.gz AOHOZPHBRQQQJX-YOQOKRQFSA-N 1 3 222.376 2.226 20 0 BEADHO CC/C=C\CCN1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001208733023 969217093 /nfs/dbraw/zinc/21/70/93/969217093.db2.gz AOHOZPHBRQQQJX-YOQOKRQFSA-N 1 3 222.376 2.226 20 0 BEADHO CCCCC[C@@H](O)C[NH2+]CC[C@@H]1CCCN1C ZINC001253553907 969226658 /nfs/dbraw/zinc/22/66/58/969226658.db2.gz MTKVHLYBRXWDLQ-UONOGXRCSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@@H](O)CNCC[C@@H]1CCC[N@@H+]1C ZINC001253553907 969226660 /nfs/dbraw/zinc/22/66/60/969226660.db2.gz MTKVHLYBRXWDLQ-UONOGXRCSA-N 1 3 242.407 2.002 20 0 BEADHO CCCCC[C@@H](O)CNCC[C@@H]1CCC[N@H+]1C ZINC001253553907 969226667 /nfs/dbraw/zinc/22/66/67/969226667.db2.gz MTKVHLYBRXWDLQ-UONOGXRCSA-N 1 3 242.407 2.002 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[N@H+](C)CCCN ZINC000227744761 1166308202 /nfs/dbraw/zinc/30/82/02/1166308202.db2.gz NYICZAMSKZTNLI-NWDGAFQWSA-N 1 3 200.370 2.482 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[N@@H+](C)CCCN ZINC000227744761 1166308208 /nfs/dbraw/zinc/30/82/08/1166308208.db2.gz NYICZAMSKZTNLI-NWDGAFQWSA-N 1 3 200.370 2.482 20 0 BEADHO NCCC[N@H+](C1CCCCC1)[C@@H]1CCCOC1 ZINC000224833550 1166337191 /nfs/dbraw/zinc/33/71/91/1166337191.db2.gz JZLVPYNVCSLTOD-CQSZACIVSA-N 1 3 240.391 2.149 20 0 BEADHO NCCC[N@@H+](C1CCCCC1)[C@@H]1CCCOC1 ZINC000224833550 1166337199 /nfs/dbraw/zinc/33/71/99/1166337199.db2.gz JZLVPYNVCSLTOD-CQSZACIVSA-N 1 3 240.391 2.149 20 0 BEADHO CCCC[N@H+](C)CCCNC[C@H](O)C(C)(C)C ZINC001253740862 969362432 /nfs/dbraw/zinc/36/24/32/969362432.db2.gz LLVHNTXXFKQNJT-ZDUSSCGKSA-N 1 3 244.423 2.105 20 0 BEADHO CCCC[N@@H+](C)CCCNC[C@H](O)C(C)(C)C ZINC001253740862 969362438 /nfs/dbraw/zinc/36/24/38/969362438.db2.gz LLVHNTXXFKQNJT-ZDUSSCGKSA-N 1 3 244.423 2.105 20 0 BEADHO CCCCN(C)CCC[NH2+]C[C@H](O)C(C)(C)C ZINC001253740862 969362446 /nfs/dbraw/zinc/36/24/46/969362446.db2.gz LLVHNTXXFKQNJT-ZDUSSCGKSA-N 1 3 244.423 2.105 20 0 BEADHO NCCC[N@H+]([C@H]1CCSC1)C1CCCCC1 ZINC001255269063 970020841 /nfs/dbraw/zinc/02/08/41/970020841.db2.gz WQWUFAMAFXMYAF-ZDUSSCGKSA-N 1 3 242.432 2.475 20 0 BEADHO NCCC[N@@H+]([C@H]1CCSC1)C1CCCCC1 ZINC001255269063 970020854 /nfs/dbraw/zinc/02/08/54/970020854.db2.gz WQWUFAMAFXMYAF-ZDUSSCGKSA-N 1 3 242.432 2.475 20 0 BEADHO CCCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001255324869 970106206 /nfs/dbraw/zinc/10/62/06/970106206.db2.gz GXOOZGXZFKRSKI-MJBXVCDLSA-N 1 3 224.392 2.449 20 0 BEADHO CCCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001255324869 970106287 /nfs/dbraw/zinc/10/62/87/970106287.db2.gz GXOOZGXZFKRSKI-MJBXVCDLSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H]1CC[C@@H]([NH+]2CCC3(CN(C)C3)CC2)C1 ZINC001170152945 970466685 /nfs/dbraw/zinc/46/66/85/970466685.db2.gz YGUNCFNNKPJRDL-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](C)CN)cc1 ZINC001255779296 970483599 /nfs/dbraw/zinc/48/35/99/970483599.db2.gz AJKQLQDAHTULCW-KBPBESRZSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](C)CN)cc1 ZINC001255779296 970483606 /nfs/dbraw/zinc/48/36/06/970483606.db2.gz AJKQLQDAHTULCW-KBPBESRZSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@H](C)N(C)C[C@@H](C)C[NH3+])cc1 ZINC001255779296 970483613 /nfs/dbraw/zinc/48/36/13/970483613.db2.gz AJKQLQDAHTULCW-KBPBESRZSA-N 1 3 234.387 2.453 20 0 BEADHO C[C@H](Cc1ccccc1F)NC(C)(C)C[NH3+] ZINC001255830137 970504077 /nfs/dbraw/zinc/50/40/77/970504077.db2.gz QLLIJPDZMTUTRW-SNVBAGLBSA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC000228080215 1166750496 /nfs/dbraw/zinc/75/04/96/1166750496.db2.gz YSNBNHRHEXZVCQ-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC000228080215 1166750501 /nfs/dbraw/zinc/75/05/01/1166750501.db2.gz YSNBNHRHEXZVCQ-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](C[NH3+])CN(C)[C@H](C)Cc1ccc(F)cc1 ZINC001255864636 970527516 /nfs/dbraw/zinc/52/75/16/970527516.db2.gz JEIANTKMEYWNCZ-VXGBXAGGSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@H](C)Cc1ccc(F)cc1 ZINC001255864636 970527524 /nfs/dbraw/zinc/52/75/24/970527524.db2.gz JEIANTKMEYWNCZ-VXGBXAGGSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@H](C)Cc1ccc(F)cc1 ZINC001255864636 970527536 /nfs/dbraw/zinc/52/75/36/970527536.db2.gz JEIANTKMEYWNCZ-VXGBXAGGSA-N 1 3 238.350 2.283 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CSC1 ZINC001255942632 970574465 /nfs/dbraw/zinc/57/44/65/970574465.db2.gz GZVOUQASOUBSFA-LLVKDONJSA-N 1 3 230.421 2.059 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1CC(OC)C1 ZINC001255954848 970578860 /nfs/dbraw/zinc/57/88/60/970578860.db2.gz JHNVHKJHGGPTFM-HSBZDZAISA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@H](F)C1 ZINC001255945045 970579054 /nfs/dbraw/zinc/57/90/54/970579054.db2.gz JCQAPXMSIDBNPH-JHJVBQTASA-N 1 3 230.371 2.445 20 0 BEADHO CCCC[C@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255946616 970581234 /nfs/dbraw/zinc/58/12/34/970581234.db2.gz XDPBKEYENHUSBF-UONOGXRCSA-N 1 3 244.423 2.248 20 0 BEADHO CCCC[C@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255946616 970581245 /nfs/dbraw/zinc/58/12/45/970581245.db2.gz XDPBKEYENHUSBF-UONOGXRCSA-N 1 3 244.423 2.248 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CCC1CC1 ZINC001255946782 970581269 /nfs/dbraw/zinc/58/12/69/970581269.db2.gz ZUZNKOMIOQODBZ-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC001255946777 970583172 /nfs/dbraw/zinc/58/31/72/970583172.db2.gz ZTAILKKKKUTNFF-CYBMUJFWSA-N 1 3 242.407 2.002 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC1(C)C ZINC001255948179 970584779 /nfs/dbraw/zinc/58/47/79/970584779.db2.gz GRJUMIRHSWVGTJ-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)(C)C ZINC000400480483 970586816 /nfs/dbraw/zinc/58/68/16/970586816.db2.gz FMSLVYFCBGGEGV-SRVKXCTJSA-N 1 3 212.381 2.399 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC001255953165 970590478 /nfs/dbraw/zinc/59/04/78/970590478.db2.gz XVKUOPQZJYXGKJ-KBPBESRZSA-N 1 3 244.423 2.103 20 0 BEADHO C[C@H]1CNCC[N@H+](CCCC2CCCC2)C1 ZINC000225275602 1166858599 /nfs/dbraw/zinc/85/85/99/1166858599.db2.gz CNAVHSFXFPDESM-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CNCC[N@@H+](CCCC2CCCC2)C1 ZINC000225275602 1166858610 /nfs/dbraw/zinc/85/86/10/1166858610.db2.gz CNAVHSFXFPDESM-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CC1(C)C[C@H]([N@@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000310449326 1167151080 /nfs/dbraw/zinc/15/10/80/1167151080.db2.gz XRJQEQNYZTUYCW-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@H]([N@H+]2CCCC[C@H](CN)C2)CCO1 ZINC000310449326 1167151085 /nfs/dbraw/zinc/15/10/85/1167151085.db2.gz XRJQEQNYZTUYCW-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)C ZINC000308508812 1167185192 /nfs/dbraw/zinc/18/51/92/1167185192.db2.gz JXIBPNWZUSXHDV-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000309322875 1167290633 /nfs/dbraw/zinc/29/06/33/1167290633.db2.gz HKZYHKIQAJSOCM-GHMZBOCLSA-N 1 3 240.778 2.455 20 0 BEADHO CC(C)[C@H](CN)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000385505075 1167393717 /nfs/dbraw/zinc/39/37/17/1167393717.db2.gz LOWIRHOQTCDEET-NWDGAFQWSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@H](CN)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000385505075 1167393723 /nfs/dbraw/zinc/39/37/23/1167393723.db2.gz LOWIRHOQTCDEET-NWDGAFQWSA-N 1 3 212.381 2.338 20 0 BEADHO C([C@H]1CCCCN1)[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167685 1167446443 /nfs/dbraw/zinc/44/64/43/1167446443.db2.gz CYKPDYNGQBVWRG-MJBXVCDLSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@H]1CCCCN1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227167685 1167446447 /nfs/dbraw/zinc/44/64/47/1167446447.db2.gz CYKPDYNGQBVWRG-MJBXVCDLSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCCCN1 ZINC000386029316 1167497503 /nfs/dbraw/zinc/49/75/03/1167497503.db2.gz QJUVXGRHEOCSHH-PYIQSQQJSA-N 1 3 208.349 2.073 20 0 BEADHO CN(CCC[NH3+])Cc1cccc2c1CCCC2 ZINC001235435761 1167790097 /nfs/dbraw/zinc/79/00/97/1167790097.db2.gz XXALCXNLGVIPCB-UHFFFAOYSA-N 1 3 232.371 2.346 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)c(C)c1 ZINC001235980811 1167802474 /nfs/dbraw/zinc/80/24/74/1167802474.db2.gz ORSAJOOVXDXXGQ-GJZGRUSLSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)c(C)c1 ZINC001235980811 1167802487 /nfs/dbraw/zinc/80/24/87/1167802487.db2.gz ORSAJOOVXDXXGQ-GJZGRUSLSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1cc2[nH]ccc2c(N2CCC[C@H]([NH3+])[C@@H]2C)n1 ZINC001157740992 970764570 /nfs/dbraw/zinc/76/45/70/970764570.db2.gz JDQYQBNFJDWLDV-JQWIXIFHSA-N 1 3 244.342 2.187 20 0 BEADHO CC/C=C\CCC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166471 978987228 /nfs/dbraw/zinc/98/72/28/978987228.db2.gz SPVOXRZTHYLURZ-RSNNXLNZSA-N 1 3 208.349 2.156 20 0 BEADHO CC/C=C\CCC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166471 978987234 /nfs/dbraw/zinc/98/72/34/978987234.db2.gz SPVOXRZTHYLURZ-RSNNXLNZSA-N 1 3 208.349 2.156 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829272 979162701 /nfs/dbraw/zinc/16/27/01/979162701.db2.gz POXMSQAFALKAFC-BFHYXJOUSA-N 1 3 222.376 2.273 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@H]2CCC(C)=C[C@@H]2C)C1 ZINC001235829272 979162711 /nfs/dbraw/zinc/16/27/11/979162711.db2.gz POXMSQAFALKAFC-BFHYXJOUSA-N 1 3 222.376 2.273 20 0 BEADHO CCC1CCC([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 ZINC000310528336 1168239702 /nfs/dbraw/zinc/23/97/02/1168239702.db2.gz NMNBTCYWFBRTIS-RAFNIBEQSA-N 1 3 236.403 2.497 20 0 BEADHO CCC1CCC([N@H+]2C[C@@H]3CCNC[C@@H]3C2)CC1 ZINC000310528336 1168239712 /nfs/dbraw/zinc/23/97/12/1168239712.db2.gz NMNBTCYWFBRTIS-RAFNIBEQSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCN(C)CC1)c1ccccn1 ZINC000086817251 1168312016 /nfs/dbraw/zinc/31/20/16/1168312016.db2.gz PKUFLGTTXDKMFZ-STQMWFEESA-N 1 3 233.359 2.217 20 0 BEADHO CN1CC[C@@H]2C[N@@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752859 1168591614 /nfs/dbraw/zinc/59/16/14/1168591614.db2.gz KXRQJFKTFORZBU-QKGCVVFFSA-N 1 3 248.414 2.305 20 0 BEADHO CN1CC[C@@H]2C[N@H+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)C[C@@H]2C1 ZINC001170752859 1168591623 /nfs/dbraw/zinc/59/16/23/1168591623.db2.gz KXRQJFKTFORZBU-QKGCVVFFSA-N 1 3 248.414 2.305 20 0 BEADHO C1C[N@H+]([C@H]2CCCSC2)[C@]2(C1)CCCNC2 ZINC000257696482 1168608063 /nfs/dbraw/zinc/60/80/63/1168608063.db2.gz KHNUJBKVWPHHAZ-STQMWFEESA-N 1 3 240.416 2.100 20 0 BEADHO C1C[N@@H+]([C@H]2CCCSC2)[C@]2(C1)CCCNC2 ZINC000257696482 1168608067 /nfs/dbraw/zinc/60/80/67/1168608067.db2.gz KHNUJBKVWPHHAZ-STQMWFEESA-N 1 3 240.416 2.100 20 0 BEADHO C1C[N@H+]([C@@H]2CCCSC2)[C@@]2(C1)CCCNC2 ZINC000257696478 1168608098 /nfs/dbraw/zinc/60/80/98/1168608098.db2.gz KHNUJBKVWPHHAZ-CHWSQXEVSA-N 1 3 240.416 2.100 20 0 BEADHO C1C[N@@H+]([C@@H]2CCCSC2)[C@@]2(C1)CCCNC2 ZINC000257696478 1168608102 /nfs/dbraw/zinc/60/81/02/1168608102.db2.gz KHNUJBKVWPHHAZ-CHWSQXEVSA-N 1 3 240.416 2.100 20 0 BEADHO CC(C)(C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256675802 970912925 /nfs/dbraw/zinc/91/29/25/970912925.db2.gz JAMUVCMADQFMNX-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403507822 970956605 /nfs/dbraw/zinc/95/66/05/970956605.db2.gz BGRWPZMOARQIBQ-RQJABVFESA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403507822 970956613 /nfs/dbraw/zinc/95/66/13/970956613.db2.gz BGRWPZMOARQIBQ-RQJABVFESA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403654059 971008567 /nfs/dbraw/zinc/00/85/67/971008567.db2.gz IBOYQVIKHLSNLX-JVGWCMFKSA-N 1 3 240.416 2.130 20 0 BEADHO CC[C@@H]1CN(CCCCCC[NH3+])[C@@H](C)CO1 ZINC000403862637 971074541 /nfs/dbraw/zinc/07/45/41/971074541.db2.gz WJLPSIAEFMPDGK-QWHCGFSZSA-N 1 3 228.380 2.005 20 0 BEADHO CC[C@@H]1CN(CCCCCCC[NH3+])[C@H](C)CO1 ZINC000403915626 971090440 /nfs/dbraw/zinc/09/04/40/971090440.db2.gz OPDNKBAPYNHXIM-ZIAGYGMSSA-N 1 3 242.407 2.395 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@H]2CC(C)(C)O2)CC1 ZINC001257207778 971128579 /nfs/dbraw/zinc/12/85/79/971128579.db2.gz JFYXBIICVWOJMP-CYBMUJFWSA-N 1 3 240.391 2.016 20 0 BEADHO CCC[C@@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257261473 971159253 /nfs/dbraw/zinc/15/92/53/971159253.db2.gz YWNCKBHXTUOWGY-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO CCC[C@@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257261473 971159261 /nfs/dbraw/zinc/15/92/61/971159261.db2.gz YWNCKBHXTUOWGY-HZSPNIEDSA-N 1 3 224.392 2.449 20 0 BEADHO CCC[C@H](CC)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257261475 971160876 /nfs/dbraw/zinc/16/08/76/971160876.db2.gz YWNCKBHXTUOWGY-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO CCC[C@H](CC)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257261475 971160880 /nfs/dbraw/zinc/16/08/80/971160880.db2.gz YWNCKBHXTUOWGY-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCCc2cccc(F)c2)C12CCC2 ZINC000405234161 971214394 /nfs/dbraw/zinc/21/43/94/971214394.db2.gz RZSFDTJANNSJGO-ZIAGYGMSSA-N 1 3 248.345 2.228 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCC2=CCCCC2)C12CCC2 ZINC000405257364 971217786 /nfs/dbraw/zinc/21/77/86/971217786.db2.gz LKAUNZBIGAYWRC-QWHCGFSZSA-N 1 3 220.360 2.346 20 0 BEADHO N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC000405257364 971217803 /nfs/dbraw/zinc/21/78/03/971217803.db2.gz LKAUNZBIGAYWRC-QWHCGFSZSA-N 1 3 220.360 2.346 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCC2=CCCCC2)C12CCC2 ZINC000405257362 971221010 /nfs/dbraw/zinc/22/10/10/971221010.db2.gz LKAUNZBIGAYWRC-OLZOCXBDSA-N 1 3 220.360 2.346 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC000405257362 971221019 /nfs/dbraw/zinc/22/10/19/971221019.db2.gz LKAUNZBIGAYWRC-OLZOCXBDSA-N 1 3 220.360 2.346 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCCc2cccs2)C12CCC2 ZINC000405261657 971227726 /nfs/dbraw/zinc/22/77/26/971227726.db2.gz NLNSWSUMSVFBSK-NEPJUHHUSA-N 1 3 236.384 2.150 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1cccc(F)c1 ZINC000405309455 971232842 /nfs/dbraw/zinc/23/28/42/971232842.db2.gz ZWHKSYUPRFXVPF-OLZOCXBDSA-N 1 3 236.334 2.084 20 0 BEADHO CCCC(CCC)[N@H+](C)C[C@H](C)CN ZINC001257334078 971240470 /nfs/dbraw/zinc/24/04/70/971240470.db2.gz ZWQMHXMJTNFLLC-LLVKDONJSA-N 1 3 200.370 2.482 20 0 BEADHO CCCC(CCC)[N@@H+](C)C[C@H](C)CN ZINC001257334078 971240482 /nfs/dbraw/zinc/24/04/82/971240482.db2.gz ZWQMHXMJTNFLLC-LLVKDONJSA-N 1 3 200.370 2.482 20 0 BEADHO C[C@@]1(N)CC[N@H+](CCCc2ccccc2)C1 ZINC000405839278 971310252 /nfs/dbraw/zinc/31/02/52/971310252.db2.gz HZCVQRQQTWEULD-CQSZACIVSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@@]1(N)CC[N@@H+](CCCc2ccccc2)C1 ZINC000405839278 971310262 /nfs/dbraw/zinc/31/02/62/971310262.db2.gz HZCVQRQQTWEULD-CQSZACIVSA-N 1 3 218.344 2.042 20 0 BEADHO CCCCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001257504664 971421762 /nfs/dbraw/zinc/42/17/62/971421762.db2.gz YZSIGWYNHNHMCI-RYUDHWBXSA-N 1 3 200.370 2.482 20 0 BEADHO CCCCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001257504664 971421767 /nfs/dbraw/zinc/42/17/67/971421767.db2.gz YZSIGWYNHNHMCI-RYUDHWBXSA-N 1 3 200.370 2.482 20 0 BEADHO C[C@H]1C[C@H](N2CC3(C2)CC[NH2+]C3)CC(C)(C)C1 ZINC000724057022 971438563 /nfs/dbraw/zinc/43/85/63/971438563.db2.gz OLHOREFDXVWTPD-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)CN1CCC([NH2+]CCn2cccc2)CC1 ZINC001258002264 971553530 /nfs/dbraw/zinc/55/35/30/971553530.db2.gz GJSNRVBQBHTYPJ-UHFFFAOYSA-N 1 3 249.402 2.198 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000216861623 971678325 /nfs/dbraw/zinc/67/83/25/971678325.db2.gz VXOJCELMRUMVMI-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000216861623 971678329 /nfs/dbraw/zinc/67/83/29/971678329.db2.gz VXOJCELMRUMVMI-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)CCC1)C2 ZINC001172107768 974369883 /nfs/dbraw/zinc/36/98/83/974369883.db2.gz BXFKATZVSGUJSB-XYYAHUGASA-N 1 3 240.366 2.484 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172326034 974535130 /nfs/dbraw/zinc/53/51/30/974535130.db2.gz ABXKNBXOUHCQKK-XQQFMLRXSA-N 1 3 230.396 2.107 20 0 BEADHO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172326034 974535136 /nfs/dbraw/zinc/53/51/36/974535136.db2.gz ABXKNBXOUHCQKK-XQQFMLRXSA-N 1 3 230.396 2.107 20 0 BEADHO CC(C)(C)c1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900230 972063142 /nfs/dbraw/zinc/06/31/42/972063142.db2.gz QPGIFXDJYSLVQW-CYBMUJFWSA-N 1 3 235.375 2.420 20 0 BEADHO Cc1cc(C)c(N[C@@H](N)CCC[NH3+])c(C)c1 ZINC001170900543 972066282 /nfs/dbraw/zinc/06/62/82/972066282.db2.gz VSSQZGYVPAXMFC-GFCCVEGCSA-N 1 3 221.348 2.047 20 0 BEADHO CCOC1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246089502 972142466 /nfs/dbraw/zinc/14/24/66/972142466.db2.gz FNQXMIVYMGLORE-ROKHWSDSSA-N 1 3 240.391 2.066 20 0 BEADHO CSC(C)(C)C[C@@H](C)N[C@H]1CCC[NH2+]C1 ZINC001246120597 972184748 /nfs/dbraw/zinc/18/47/48/972184748.db2.gz MZEDVXCSMWGUSX-MNOVXSKESA-N 1 3 230.421 2.248 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246132253 972191983 /nfs/dbraw/zinc/19/19/83/972191983.db2.gz LHMWNPXTVVXLHO-STQMWFEESA-N 1 3 222.376 2.463 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1CCc2cccc(F)c2C1 ZINC001170978395 972198762 /nfs/dbraw/zinc/19/87/62/972198762.db2.gz VTTJQJKLTWMSEE-BYCMXARLSA-N 1 3 248.345 2.152 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1CCc2cccc(F)c2C1 ZINC001170978396 972199033 /nfs/dbraw/zinc/19/90/33/972199033.db2.gz VTTJQJKLTWMSEE-TUKIKUTGSA-N 1 3 248.345 2.152 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CSc2ccccc2C1 ZINC001246306976 972268758 /nfs/dbraw/zinc/26/87/58/972268758.db2.gz UQHQWEBYGVZPJY-CMPLNLGQSA-N 1 3 236.384 2.030 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2CC3(C2)CC(F)(F)C3)CCN1 ZINC001246336307 972298096 /nfs/dbraw/zinc/29/80/96/972298096.db2.gz UNWIFSUPZWPXDQ-VHSXEESVSA-N 1 3 244.329 2.294 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC000706561391 958004839 /nfs/dbraw/zinc/00/48/39/958004839.db2.gz XKYUWMNLRVZWJV-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1 ZINC000706561388 958005075 /nfs/dbraw/zinc/00/50/75/958005075.db2.gz XKYUWMNLRVZWJV-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CCc1ccc(C[C@@H](C)[NH2+][C@H]2CC23CNC3)cc1 ZINC001246443971 972316474 /nfs/dbraw/zinc/31/64/74/972316474.db2.gz IWHVKVCLKTWVFH-DOMZBBRYSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000398805633 958395419 /nfs/dbraw/zinc/39/54/19/958395419.db2.gz PHFDSOQEVYHZHT-XQQFMLRXSA-N 1 3 236.359 2.046 20 0 BEADHO [NH3+][C@@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 ZINC001246479271 972349752 /nfs/dbraw/zinc/34/97/52/972349752.db2.gz SSNFXGJWGWPFHT-CABCVRRESA-N 1 3 230.355 2.013 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403654064 958764489 /nfs/dbraw/zinc/76/44/89/958764489.db2.gz IBOYQVIKHLSNLX-ZZIFITQXSA-N 1 3 240.416 2.130 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693677372 959188972 /nfs/dbraw/zinc/18/89/72/959188972.db2.gz JVOFGJKDQYGHSY-FVCCEPFGSA-N 1 3 236.403 2.399 20 0 BEADHO CS[C@H](C)CC[N@@H+]1CCC[C@]12CCCNC2 ZINC001222230649 972408824 /nfs/dbraw/zinc/40/88/24/972408824.db2.gz CDQGMNPZOQRWMG-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CS[C@H](C)CC[N@H+]1CCC[C@]12CCCNC2 ZINC001222230649 972408831 /nfs/dbraw/zinc/40/88/31/972408831.db2.gz CDQGMNPZOQRWMG-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC000308799153 959504076 /nfs/dbraw/zinc/50/40/76/959504076.db2.gz DFKZPGBYUUELOQ-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCCC[C@@H](CN)C1 ZINC000308799153 959504082 /nfs/dbraw/zinc/50/40/82/959504082.db2.gz DFKZPGBYUUELOQ-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc(C)c1O ZINC000708829836 959860428 /nfs/dbraw/zinc/86/04/28/959860428.db2.gz IBAAEDNNGRIPLB-GXTWGEPZSA-N 1 3 248.370 2.036 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C[C@H]1CN ZINC000708873246 959996742 /nfs/dbraw/zinc/99/67/42/959996742.db2.gz YCTKIPWPYCQRNU-MEBFFEOJSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C[C@H]1CN ZINC000708873246 959996753 /nfs/dbraw/zinc/99/67/53/959996753.db2.gz YCTKIPWPYCQRNU-MEBFFEOJSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@@H]1CCC[N@H+](CCNc2ccncc2)C1 ZINC000309803130 960129720 /nfs/dbraw/zinc/12/97/20/960129720.db2.gz ROBHYPTUJPTMTE-GFCCVEGCSA-N 1 3 219.332 2.225 20 0 BEADHO C[C@@H]1CCC[N@@H+](CCNc2ccncc2)C1 ZINC000309803130 960129727 /nfs/dbraw/zinc/12/97/27/960129727.db2.gz ROBHYPTUJPTMTE-GFCCVEGCSA-N 1 3 219.332 2.225 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000695635915 960310923 /nfs/dbraw/zinc/31/09/23/960310923.db2.gz DVDWPICQYNDOAZ-NEPJUHHUSA-N 1 3 244.810 2.468 20 0 BEADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)C2(Cl)CC2)C1 ZINC000695635915 960310930 /nfs/dbraw/zinc/31/09/30/960310930.db2.gz DVDWPICQYNDOAZ-NEPJUHHUSA-N 1 3 244.810 2.468 20 0 BEADHO C[C@H](N[C@H]1CCCC2(CC2)C1)[C@H]1CCC[NH2+]1 ZINC000695725397 960405436 /nfs/dbraw/zinc/40/54/36/960405436.db2.gz WWEKUBFVAFTXGF-RWMBFGLXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC12CCCC2 ZINC000925781592 961129188 /nfs/dbraw/zinc/12/91/88/961129188.db2.gz AYRLHXILZCXZHN-UPJWGTAASA-N 1 3 222.376 2.297 20 0 BEADHO Cc1cc(O)cc(CN2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206632346 962120615 /nfs/dbraw/zinc/12/06/15/962120615.db2.gz JIBAJXHIDRLDOF-ZDUSSCGKSA-N 1 3 248.370 2.261 20 0 BEADHO Cc1c(O)cccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206632376 962127830 /nfs/dbraw/zinc/12/78/30/962127830.db2.gz JZEPOAXPFLAELJ-ZDUSSCGKSA-N 1 3 248.370 2.261 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000710384753 962374634 /nfs/dbraw/zinc/37/46/34/962374634.db2.gz MZFQKCYTDGAPSI-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000710384745 962376357 /nfs/dbraw/zinc/37/63/57/962376357.db2.gz MZFQKCYTDGAPSI-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCN2C)C1 ZINC000710448744 962382268 /nfs/dbraw/zinc/38/22/68/962382268.db2.gz ZTNXAKBDJYQRAY-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO Cc1cc(C)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001155583304 963117589 /nfs/dbraw/zinc/11/75/89/963117589.db2.gz KQRZBBARMSSPNQ-AGIUHOORSA-N 1 3 231.343 2.108 20 0 BEADHO CCCCN(C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168075750 963614898 /nfs/dbraw/zinc/61/48/98/963614898.db2.gz QNFXQWAFPUFXMK-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N(C)C)CCO1 ZINC000697824945 964548572 /nfs/dbraw/zinc/54/85/72/964548572.db2.gz DKGLEQFJOPLZNX-IHRRRGAJSA-N 1 3 242.407 2.120 20 0 BEADHO CCCC[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000697868675 964593940 /nfs/dbraw/zinc/59/39/40/964593940.db2.gz CKOTXFUXPXHAKE-RYUDHWBXSA-N 1 3 200.370 2.495 20 0 BEADHO CCC[C@@H](C)C[NH2+]CC[C@@H](C)N(C)C ZINC000697871976 964599485 /nfs/dbraw/zinc/59/94/85/964599485.db2.gz QGNXHFGYLYAAOF-VXGBXAGGSA-N 1 3 200.370 2.352 20 0 BEADHO COc1ccc(C[NH2+]CC[C@H](C)N(C)C)cc1 ZINC000697921000 964687234 /nfs/dbraw/zinc/68/72/34/964687234.db2.gz RSRIEFYPPAABQN-LBPRGKRZSA-N 1 3 236.359 2.125 20 0 BEADHO CC(C)(C)C(=[NH2+])Nc1cnc2c(c1)CNCC2 ZINC001162664804 965098065 /nfs/dbraw/zinc/09/80/65/965098065.db2.gz PNEKYNBTUQXJMQ-UHFFFAOYSA-N 1 3 232.331 2.163 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(N)n1 ZINC000168744370 965119658 /nfs/dbraw/zinc/11/96/58/965119658.db2.gz XZCYSRHYXJNSNU-GFCCVEGCSA-N 1 3 248.374 2.340 20 0 BEADHO C[C@@H]1CCCC[N@H+]1CCCNc1cccc(N)n1 ZINC000168744370 965119671 /nfs/dbraw/zinc/11/96/71/965119671.db2.gz XZCYSRHYXJNSNU-GFCCVEGCSA-N 1 3 248.374 2.340 20 0 BEADHO C1=C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000698277944 965169864 /nfs/dbraw/zinc/16/98/64/965169864.db2.gz MSEXMNOJWLCOEG-REWJHTLYSA-N 1 3 220.360 2.215 20 0 BEADHO Cc1cnc(N[C@H](C[NH3+])c2ccccc2)cc1N ZINC001163297610 965327351 /nfs/dbraw/zinc/32/73/51/965327351.db2.gz FTYTWBKZIUUSDY-CYBMUJFWSA-N 1 3 242.326 2.084 20 0 BEADHO C[C@H](CCN(C)C)[NH2+]Cc1ccc(Cl)nc1 ZINC000083453924 965427904 /nfs/dbraw/zinc/42/79/04/965427904.db2.gz SLOYUNURUWKHRB-SNVBAGLBSA-N 1 3 241.766 2.165 20 0 BEADHO N[C@H]1CCC[N@H+](CC2Cc3ccccc3C2)CC1 ZINC001205095527 965755864 /nfs/dbraw/zinc/75/58/64/965755864.db2.gz YKTWABWPSPPGJD-INIZCTEOSA-N 1 3 244.382 2.215 20 0 BEADHO N[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)CC1 ZINC001205095527 965755870 /nfs/dbraw/zinc/75/58/70/965755870.db2.gz YKTWABWPSPPGJD-INIZCTEOSA-N 1 3 244.382 2.215 20 0 BEADHO C[C@H](C[NH+](C)C)Oc1cccc2c1CCN(C)C2 ZINC001234421299 965819850 /nfs/dbraw/zinc/81/98/50/965819850.db2.gz CUVFTODSBRFXCY-GFCCVEGCSA-N 1 3 248.370 2.003 20 0 BEADHO COc1ccc(C)c(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205124668 965898899 /nfs/dbraw/zinc/89/88/99/965898899.db2.gz XPOJWCAKZBHZIJ-AWEZNQCLSA-N 1 3 248.370 2.317 20 0 BEADHO Cc1cc(C)cc(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235960513 966176280 /nfs/dbraw/zinc/17/62/80/966176280.db2.gz YNBOFDNQQDWOIW-MUJYYYPQSA-N 1 3 244.382 2.473 20 0 BEADHO CCCC[C@H](CC)CN1CC(C)(C[NH3+])C1 ZINC001206710933 966185700 /nfs/dbraw/zinc/18/57/00/966185700.db2.gz BAZGBEPIEXQKIN-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235986377 966201358 /nfs/dbraw/zinc/20/13/58/966201358.db2.gz DSBYZFMHPASKLN-HUUCEWRRSA-N 1 3 230.355 2.172 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235986377 966201368 /nfs/dbraw/zinc/20/13/68/966201368.db2.gz DSBYZFMHPASKLN-HUUCEWRRSA-N 1 3 230.355 2.172 20 0 BEADHO CC(C)c1ccc(CC[N@@H+]2C[C@H]3C[C@@]3(N)C2)cc1 ZINC001236014063 966222402 /nfs/dbraw/zinc/22/24/02/966222402.db2.gz DIRSZZPFTXSCSW-HZPDHXFCSA-N 1 3 244.382 2.386 20 0 BEADHO CC(C)c1ccc(CC[N@H+]2C[C@H]3C[C@@]3(N)C2)cc1 ZINC001236014063 966222422 /nfs/dbraw/zinc/22/24/22/966222422.db2.gz DIRSZZPFTXSCSW-HZPDHXFCSA-N 1 3 244.382 2.386 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000084215620 966953433 /nfs/dbraw/zinc/95/34/33/966953433.db2.gz AFTYHSVOQRRKDL-WCQYABFASA-N 1 3 238.400 2.398 20 0 BEADHO C[NH+](C)Cc1ccc(-c2ccnc(CN)c2)cc1 ZINC001204643030 967116067 /nfs/dbraw/zinc/11/60/67/967116067.db2.gz YSBHBFNYRWYUPY-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO CCc1cccc(C)c1C[N@@H+]1CC[C@@](C)(N)C1 ZINC001204802037 967174054 /nfs/dbraw/zinc/17/40/54/967174054.db2.gz ZQNPZMVEKLDBKE-OAHLLOKOSA-N 1 3 232.371 2.481 20 0 BEADHO CCc1cccc(C)c1C[N@H+]1CC[C@@](C)(N)C1 ZINC001204802037 967174062 /nfs/dbraw/zinc/17/40/62/967174062.db2.gz ZQNPZMVEKLDBKE-OAHLLOKOSA-N 1 3 232.371 2.481 20 0 BEADHO CC(C)(C)c1ccc(CN2CCC(C[NH3+])CC2)[nH]1 ZINC001205033753 967295418 /nfs/dbraw/zinc/29/54/18/967295418.db2.gz QEBHVEKPCGJBGU-UHFFFAOYSA-N 1 3 249.402 2.483 20 0 BEADHO CN(C)c1cccc(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109481 967353157 /nfs/dbraw/zinc/35/31/57/967353157.db2.gz GYHMZXWCVOAAAY-CQSZACIVSA-N 1 3 247.386 2.066 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205297120 967496834 /nfs/dbraw/zinc/49/68/34/967496834.db2.gz ZKBTVZOWGRVMSJ-QKGCVVFFSA-N 1 3 234.387 2.115 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205297120 967496861 /nfs/dbraw/zinc/49/68/61/967496861.db2.gz ZKBTVZOWGRVMSJ-QKGCVVFFSA-N 1 3 234.387 2.115 20 0 BEADHO Cc1cccc(C[N@H+]2CCNCC[C@@H]2C)c1C ZINC001205325710 967542745 /nfs/dbraw/zinc/54/27/45/967542745.db2.gz RLTRPDAZLRGZAO-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@@H+]2CCNCC[C@@H]2C)c1C ZINC001205325710 967542768 /nfs/dbraw/zinc/54/27/68/967542768.db2.gz RLTRPDAZLRGZAO-ZDUSSCGKSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCO[C@H]1C)N1CCCCC1 ZINC001205391626 967605041 /nfs/dbraw/zinc/60/50/41/967605041.db2.gz QQSACBFYNBHVBA-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](CCN[C@@H]1CCO[C@H]1C)[NH+]1CCCCC1 ZINC001205391626 967605055 /nfs/dbraw/zinc/60/50/55/967605055.db2.gz QQSACBFYNBHVBA-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(O)cc2)C1 ZINC001206540133 968367017 /nfs/dbraw/zinc/36/70/17/968367017.db2.gz AKRXVNURBVSSSO-OAHLLOKOSA-N 1 3 248.370 2.343 20 0 BEADHO CCC(=O)C(C)(C)C[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606351 968413121 /nfs/dbraw/zinc/41/31/21/968413121.db2.gz LLWQSHJDIIYQMN-GFCCVEGCSA-N 1 3 240.391 2.053 20 0 BEADHO CCC(=O)C(C)(C)C[N@H+]1CCCC[C@H](CN)C1 ZINC001206606351 968413127 /nfs/dbraw/zinc/41/31/27/968413127.db2.gz LLWQSHJDIIYQMN-GFCCVEGCSA-N 1 3 240.391 2.053 20 0 BEADHO CS[C@H](C)CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206607238 968413269 /nfs/dbraw/zinc/41/32/69/968413269.db2.gz YMELJOVYBPPQPE-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CS[C@H](C)CC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206607238 968413277 /nfs/dbraw/zinc/41/32/77/968413277.db2.gz YMELJOVYBPPQPE-NEPJUHHUSA-N 1 3 230.421 2.189 20 0 BEADHO CCCCNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001154828074 968683242 /nfs/dbraw/zinc/68/32/42/968683242.db2.gz OEYNPPSKLDOPBC-UHFFFAOYSA-N 1 3 248.374 2.221 20 0 BEADHO CSC1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207287112 968693959 /nfs/dbraw/zinc/69/39/59/968693959.db2.gz XTHIZJUGFFTPCO-UHFFFAOYSA-N 1 3 244.448 2.402 20 0 BEADHO CN(CCC1CC[NH+](C)CC1)Cc1ccncc1 ZINC001207479084 968793835 /nfs/dbraw/zinc/79/38/35/968793835.db2.gz CXWLRROVPBRHJE-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO C[C@@H]1C[C@H](F)CN1CCC1CC[NH+](C)CC1 ZINC001207479390 968795337 /nfs/dbraw/zinc/79/53/37/968795337.db2.gz HLZQUQPSZITANX-YPMHNXCESA-N 1 3 228.355 2.151 20 0 BEADHO CN1CC2(C1)CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207632111 968847643 /nfs/dbraw/zinc/84/76/43/968847643.db2.gz MIBADMAVCXNEQG-RRFJBIMHSA-N 1 3 246.398 2.226 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]CC3(C)CCCC3)[C@@H]2C1 ZINC001207843943 968900170 /nfs/dbraw/zinc/90/01/70/968900170.db2.gz JBODQXVWOWPHTJ-MJBXVCDLSA-N 1 3 236.403 2.497 20 0 BEADHO CN1CC=C(c2ccc([C@@H]3CCC[NH2+]3)cn2)CC1 ZINC001241307571 968970907 /nfs/dbraw/zinc/97/09/07/968970907.db2.gz CPNYPDPZPRYNJY-AWEZNQCLSA-N 1 3 243.354 2.225 20 0 BEADHO C[NH+]1CCC(C)(CN2CCC[C@H](F)C2)CC1 ZINC001208105802 969001785 /nfs/dbraw/zinc/00/17/85/969001785.db2.gz CMCKHKSJVDRPII-LBPRGKRZSA-N 1 3 228.355 2.152 20 0 BEADHO CCC[N@H+](C[C@H](O)CNC(C)(C)C)[C@@H](C)CC ZINC001253384923 969149193 /nfs/dbraw/zinc/14/91/93/969149193.db2.gz MTUAOUHVOGSHJG-QWHCGFSZSA-N 1 3 244.423 2.246 20 0 BEADHO CCC[N@@H+](C[C@H](O)CNC(C)(C)C)[C@@H](C)CC ZINC001253384923 969149195 /nfs/dbraw/zinc/14/91/95/969149195.db2.gz MTUAOUHVOGSHJG-QWHCGFSZSA-N 1 3 244.423 2.246 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(O)cc1)C2 ZINC001169093101 969387068 /nfs/dbraw/zinc/38/70/68/969387068.db2.gz FNZMGBHQZOKQKP-BTTYYORXSA-N 1 3 246.354 2.107 20 0 BEADHO Cc1ccncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169091452 969408372 /nfs/dbraw/zinc/40/83/72/969408372.db2.gz RLRUHEIVGGJSGG-QDMKHBRRSA-N 1 3 245.370 2.105 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(F)(F)CC1)C2 ZINC001169124283 969419453 /nfs/dbraw/zinc/41/94/53/969419453.db2.gz BKFCLZPGSUXCJK-ZSBIGDGJSA-N 1 3 244.329 2.343 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(F)CCC1)C2 ZINC001169109592 969449727 /nfs/dbraw/zinc/44/97/27/969449727.db2.gz FBSPYHCDYMGMEO-ZSBIGDGJSA-N 1 3 226.339 2.093 20 0 BEADHO CCN(C)C1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC001209427103 969498063 /nfs/dbraw/zinc/49/80/63/969498063.db2.gz OKBCGBXLPYYFHP-NWDGAFQWSA-N 1 3 210.365 2.059 20 0 BEADHO C(CN1CCCC12CC2)C[NH+]1CCCCC1 ZINC001209447653 969516658 /nfs/dbraw/zinc/51/66/58/969516658.db2.gz BHMLCTHTHHGWQB-UHFFFAOYSA-N 1 3 222.376 2.491 20 0 BEADHO CN1CCC[C@@H]([N@H+](C)Cc2cccc(O)c2)CC1 ZINC001254517360 969694476 /nfs/dbraw/zinc/69/44/76/969694476.db2.gz UZWKDUJESJBDDH-CQSZACIVSA-N 1 3 248.370 2.308 20 0 BEADHO CN1CCC[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC001254517360 969694479 /nfs/dbraw/zinc/69/44/79/969694479.db2.gz UZWKDUJESJBDDH-CQSZACIVSA-N 1 3 248.370 2.308 20 0 BEADHO CN(CCc1ccncc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522153 969711242 /nfs/dbraw/zinc/71/12/42/969711242.db2.gz CZYPOMNLTUHXCK-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO CN(CCc1ccncc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522153 969711253 /nfs/dbraw/zinc/71/12/53/969711253.db2.gz CZYPOMNLTUHXCK-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO [NH3+]C1(CC2CC2)CCN([C@@H]2CCSC2)CC1 ZINC001255276809 970029638 /nfs/dbraw/zinc/02/96/38/970029638.db2.gz YZFOVELGXKXBKZ-GFCCVEGCSA-N 1 3 240.416 2.085 20 0 BEADHO C[N@@H+]1CCC[C@@H](n2c(CN)cc3ccccc32)C1 ZINC001255467415 970193365 /nfs/dbraw/zinc/19/33/65/970193365.db2.gz CGTLOGDIMPCANC-CYBMUJFWSA-N 1 3 243.354 2.367 20 0 BEADHO C[N@H+]1CCC[C@@H](n2c(CN)cc3ccccc32)C1 ZINC001255467415 970193369 /nfs/dbraw/zinc/19/33/69/970193369.db2.gz CGTLOGDIMPCANC-CYBMUJFWSA-N 1 3 243.354 2.367 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C)C1 ZINC001170114040 970328721 /nfs/dbraw/zinc/32/87/21/970328721.db2.gz ZTNXAKBDJYQRAY-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO COC[C@@H](C)NC1CC[NH+](CC(C)(C)C)CC1 ZINC001255563660 970348661 /nfs/dbraw/zinc/34/86/61/970348661.db2.gz WURNQLMUCPSGAG-GFCCVEGCSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001170159243 970486299 /nfs/dbraw/zinc/48/62/99/970486299.db2.gz RTQGBAPBCMRDDT-KBUPBQIOSA-N 1 3 236.403 2.449 20 0 BEADHO C[C@]1(C[N@@H+]2CC[C@@H](C3CC3)C2)CCCNC1 ZINC000400055899 970543911 /nfs/dbraw/zinc/54/39/11/970543911.db2.gz ZAJAARUDNBEZBL-KGLIPLIRSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@]1(C[N@H+]2CC[C@@H](C3CC3)C2)CCCNC1 ZINC000400055899 970543916 /nfs/dbraw/zinc/54/39/16/970543916.db2.gz ZAJAARUDNBEZBL-KGLIPLIRSA-N 1 3 222.376 2.108 20 0 BEADHO CSC[C@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000400130852 970548713 /nfs/dbraw/zinc/54/87/13/970548713.db2.gz SBEGGUXVCUMSGP-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CSC[C@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000400130852 970548721 /nfs/dbraw/zinc/54/87/21/970548721.db2.gz SBEGGUXVCUMSGP-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO NC[C@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400131572 970549229 /nfs/dbraw/zinc/54/92/29/970549229.db2.gz VGFZHIKAIFMQNU-HHTDUIENSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000400131572 970549246 /nfs/dbraw/zinc/54/92/46/970549246.db2.gz VGFZHIKAIFMQNU-HHTDUIENSA-N 1 3 222.376 2.093 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)C ZINC001255940022 970569273 /nfs/dbraw/zinc/56/92/73/970569273.db2.gz LTZRMYMESYWREM-LLVKDONJSA-N 1 3 200.370 2.495 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)C(C)=O ZINC001255939336 970572178 /nfs/dbraw/zinc/57/21/78/970572178.db2.gz BVDYBMFBEUGJPX-LLVKDONJSA-N 1 3 228.380 2.064 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]CC1(O)CCCC1 ZINC001255941237 970572626 /nfs/dbraw/zinc/57/26/26/970572626.db2.gz LVQCPMBKVXEUMO-ZDUSSCGKSA-N 1 3 242.407 2.002 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCC1(O)CCCC1 ZINC001255941237 970572630 /nfs/dbraw/zinc/57/26/30/970572630.db2.gz LVQCPMBKVXEUMO-ZDUSSCGKSA-N 1 3 242.407 2.002 20 0 BEADHO C[NH+]1CCC(N[C@H]2CCc3sccc32)CC1 ZINC001256201360 970696050 /nfs/dbraw/zinc/69/60/50/970696050.db2.gz HMWBFWQEDAATDS-LBPRGKRZSA-N 1 3 236.384 2.419 20 0 BEADHO CC(C)CC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001256357583 970733612 /nfs/dbraw/zinc/73/36/12/970733612.db2.gz IBYATORXIZULOB-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)CC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001256357583 970733624 /nfs/dbraw/zinc/73/36/24/970733624.db2.gz IBYATORXIZULOB-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO C[C@H](Cc1cccnc1)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246578830 972909173 /nfs/dbraw/zinc/90/91/73/972909173.db2.gz AABVNKHNDCWUBV-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1cccnc1)[N@H+]1CCCC[C@H](CN)C1 ZINC001246578830 972909193 /nfs/dbraw/zinc/90/91/93/972909193.db2.gz AABVNKHNDCWUBV-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1cccnc1)N1CCCC[C@H](C[NH3+])C1 ZINC001246578830 972909206 /nfs/dbraw/zinc/90/92/06/972909206.db2.gz AABVNKHNDCWUBV-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO CC1(CN)C[NH+]([C@@H]2CCCC(C)(C)C2)C1 ZINC001246602170 973028244 /nfs/dbraw/zinc/02/82/44/973028244.db2.gz VZOFULYFSICERK-LLVKDONJSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH+]1CC2(CNC2)C1 ZINC001246616107 973037303 /nfs/dbraw/zinc/03/73/03/973037303.db2.gz YDNAESMJCWAJDZ-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CCCC[C@H](C)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246655150 973071130 /nfs/dbraw/zinc/07/11/30/973071130.db2.gz GJZJEZIUCIOBBU-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO CCCC[C@H](C)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC001246655150 973071141 /nfs/dbraw/zinc/07/11/41/973071141.db2.gz GJZJEZIUCIOBBU-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC([N@@H+]2CCCC3(CNC3)C2)C[C@H](C)C1 ZINC001246794254 973097509 /nfs/dbraw/zinc/09/75/09/973097509.db2.gz ZMEGEUCAROVEQS-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]1CC([N@H+]2CCCC3(CNC3)C2)C[C@H](C)C1 ZINC001246794254 973097524 /nfs/dbraw/zinc/09/75/24/973097524.db2.gz ZMEGEUCAROVEQS-CHWSQXEVSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)[C@H]1CCC[NH2+]1 ZINC001328614500 973196560 /nfs/dbraw/zinc/19/65/60/973196560.db2.gz FROQHWGOKSNIEY-RNWYCLNJSA-N 1 3 244.329 2.150 20 0 BEADHO CC(C)CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246866312 973220160 /nfs/dbraw/zinc/22/01/60/973220160.db2.gz JFMTWUSJTMIABR-IHRRRGAJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001246866312 973220177 /nfs/dbraw/zinc/22/01/77/973220177.db2.gz JFMTWUSJTMIABR-IHRRRGAJSA-N 1 3 224.392 2.495 20 0 BEADHO C[NH+]1C(C)(C)CC(NC[C@@H]2CCO2)CC1(C)C ZINC001171622255 974114483 /nfs/dbraw/zinc/11/44/83/974114483.db2.gz YJXUHFQIYCXDHH-LBPRGKRZSA-N 1 3 240.391 2.016 20 0 BEADHO CN1C(C)(C)CC([NH2+][C@H]2CCOC2)CC1(C)C ZINC001171614350 974115804 /nfs/dbraw/zinc/11/58/04/974115804.db2.gz YDHPZNJTNMJQOA-NSHDSACASA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172098430 974336253 /nfs/dbraw/zinc/33/62/53/974336253.db2.gz DWPHZWXIDWHONC-RVMXOQNASA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](N)c1nccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098430 974336262 /nfs/dbraw/zinc/33/62/62/974336262.db2.gz DWPHZWXIDWHONC-RVMXOQNASA-N 1 3 248.374 2.091 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156389 974342211 /nfs/dbraw/zinc/34/22/11/974342211.db2.gz QMNIKRVMJWIZPQ-KBPBESRZSA-N 1 3 236.334 2.256 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001172129920 974353440 /nfs/dbraw/zinc/35/34/40/974353440.db2.gz MEPISAUBPCWGPM-MRLBHPIUSA-N 1 3 234.387 2.486 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3C[C@@H]31)C2 ZINC001172129920 974353450 /nfs/dbraw/zinc/35/34/50/974353450.db2.gz MEPISAUBPCWGPM-MRLBHPIUSA-N 1 3 234.387 2.486 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172192088 974400651 /nfs/dbraw/zinc/40/06/51/974400651.db2.gz BHSXFAUFMKDYSQ-RWMBFGLXSA-N 1 3 248.395 2.173 20 0 BEADHO CC[C@H](C)OCC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001172327062 974535203 /nfs/dbraw/zinc/53/52/03/974535203.db2.gz CQBGYWPLZCMOAO-STQMWFEESA-N 1 3 242.407 2.393 20 0 BEADHO CC(C)OCC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001172443912 974804053 /nfs/dbraw/zinc/80/40/53/974804053.db2.gz SSJLCHHWADFNGV-GFCCVEGCSA-N 1 3 228.380 2.003 20 0 BEADHO CCSC[C@@H](C)N(CCC[NH3+])C(C)C ZINC001173293183 975169579 /nfs/dbraw/zinc/16/95/79/975169579.db2.gz XZJMREWWZMIYJJ-LLVKDONJSA-N 1 3 218.410 2.187 20 0 BEADHO CCSC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001173293183 975169572 /nfs/dbraw/zinc/16/95/72/975169572.db2.gz XZJMREWWZMIYJJ-LLVKDONJSA-N 1 3 218.410 2.187 20 0 BEADHO CCSC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001173293183 975169575 /nfs/dbraw/zinc/16/95/75/975169575.db2.gz XZJMREWWZMIYJJ-LLVKDONJSA-N 1 3 218.410 2.187 20 0 BEADHO CCSC[C@H](C)N1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001173307683 975217437 /nfs/dbraw/zinc/21/74/37/975217437.db2.gz IRLUJQRTHQEAAV-YNEHKIRRSA-N 1 3 242.432 2.012 20 0 BEADHO CCSC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001173315281 975304676 /nfs/dbraw/zinc/30/46/76/975304676.db2.gz OVRNHXOKAFYESI-GFCCVEGCSA-N 1 3 242.432 2.156 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001333485817 975812040 /nfs/dbraw/zinc/81/20/40/975812040.db2.gz XKZGHDMSRWVQSB-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001333485817 975812041 /nfs/dbraw/zinc/81/20/41/975812041.db2.gz XKZGHDMSRWVQSB-RDBSUJKOSA-N 1 3 224.392 2.449 20 0 BEADHO COc1ccc(CNCCC[NH+]2CCC2)c(C)c1 ZINC001335149193 976866163 /nfs/dbraw/zinc/86/61/63/976866163.db2.gz CZJVLNCJDYSPMN-UHFFFAOYSA-N 1 3 248.370 2.189 20 0 BEADHO c1cc(N2CC3(CCN3C3CCCC3)C2)cc[nH+]1 ZINC001277693035 978207516 /nfs/dbraw/zinc/20/75/16/978207516.db2.gz CTJOSLQVNSLZFF-UHFFFAOYSA-N 1 3 243.354 2.289 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@H+](CCCc1cccc(F)c1)C2 ZINC001235166812 978988414 /nfs/dbraw/zinc/98/84/14/978988414.db2.gz WCVCAINKAGXTSO-DZGCQCFKSA-N 1 3 248.345 2.181 20 0 BEADHO N[C@@]12C[C@@H]1CC[N@@H+](CCCc1cccc(F)c1)C2 ZINC001235166812 978988416 /nfs/dbraw/zinc/98/84/16/978988416.db2.gz WCVCAINKAGXTSO-DZGCQCFKSA-N 1 3 248.345 2.181 20 0 BEADHO CC/C=C\CCCCC[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235211043 979000742 /nfs/dbraw/zinc/00/07/42/979000742.db2.gz TVDSNXMOPJLDKU-YBVSHCEHSA-N 1 3 222.376 2.402 20 0 BEADHO CC/C=C\CCCCC[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235211043 979000749 /nfs/dbraw/zinc/00/07/49/979000749.db2.gz TVDSNXMOPJLDKU-YBVSHCEHSA-N 1 3 222.376 2.402 20 0 BEADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235284136 979016960 /nfs/dbraw/zinc/01/69/60/979016960.db2.gz UGLNMQLGIGRNLH-FQUUOJAGSA-N 1 3 222.376 2.258 20 0 BEADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001235284136 979016966 /nfs/dbraw/zinc/01/69/66/979016966.db2.gz UGLNMQLGIGRNLH-FQUUOJAGSA-N 1 3 222.376 2.258 20 0 BEADHO N[C@H]1[C@H]2C[N@@H+](CCCCCc3ccccc3)C[C@@H]12 ZINC001235282115 979018340 /nfs/dbraw/zinc/01/83/40/979018340.db2.gz AXYWWWAZLVSHCG-MUJYYYPQSA-N 1 3 244.382 2.288 20 0 BEADHO N[C@H]1[C@H]2C[N@H+](CCCCCc3ccccc3)C[C@@H]12 ZINC001235282115 979018345 /nfs/dbraw/zinc/01/83/45/979018345.db2.gz AXYWWWAZLVSHCG-MUJYYYPQSA-N 1 3 244.382 2.288 20 0 BEADHO CNCCC[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235690060 979118253 /nfs/dbraw/zinc/11/82/53/979118253.db2.gz JUWYMCNXLWGECM-UHFFFAOYSA-N 1 3 236.403 2.497 20 0 BEADHO CNCCC[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001235690060 979118260 /nfs/dbraw/zinc/11/82/60/979118260.db2.gz JUWYMCNXLWGECM-UHFFFAOYSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(CN2C[C@H]3CC[C@]3([NH3+])C2)CCCCC1 ZINC001235981993 979259927 /nfs/dbraw/zinc/25/99/27/979259927.db2.gz ZUAJVVIGKRLKEA-OCCSQVGLSA-N 1 3 222.376 2.380 20 0 BEADHO N[C@@]12CC[C@H]1C[N@H+](Cc1ccccc1C1CC1)C2 ZINC001235989220 979272837 /nfs/dbraw/zinc/27/28/37/979272837.db2.gz IJGGFZYPSNIDHV-GOEBONIOSA-N 1 3 242.366 2.487 20 0 BEADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235989220 979272843 /nfs/dbraw/zinc/27/28/43/979272843.db2.gz IJGGFZYPSNIDHV-GOEBONIOSA-N 1 3 242.366 2.487 20 0 BEADHO N[C@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCC3)C2 ZINC001235996093 979293730 /nfs/dbraw/zinc/29/37/30/979293730.db2.gz QRGICFZBAUNQRV-HOCLYGCPSA-N 1 3 242.366 2.098 20 0 BEADHO N[C@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCC3)C2 ZINC001235996093 979293737 /nfs/dbraw/zinc/29/37/37/979293737.db2.gz QRGICFZBAUNQRV-HOCLYGCPSA-N 1 3 242.366 2.098 20 0 BEADHO C[NH+](C)Cc1cccc(-c2cc(N)ccn2)c1 ZINC001236414562 979588643 /nfs/dbraw/zinc/58/86/43/979588643.db2.gz PBZOZJQGUPWIHM-UHFFFAOYSA-N 1 3 227.311 2.392 20 0 BEADHO C[NH2+][C@@H](C)CCNCCc1ccc(F)cc1F ZINC001345103464 980550826 /nfs/dbraw/zinc/55/08/26/980550826.db2.gz FTGTXSKSUHDADF-JTQLQIEISA-N 1 3 242.313 2.095 20 0 BEADHO CCN(CC)Cc1cncc(C2=CC[NH2+]CC2)c1 ZINC001240468214 981403804 /nfs/dbraw/zinc/40/38/04/981403804.db2.gz BSYLOWJFUBKFBY-UHFFFAOYSA-N 1 3 245.370 2.300 20 0 BEADHO CN1CCc2cc(C3=CC[NH2+]CC3)ccc2C1 ZINC001240469440 981405320 /nfs/dbraw/zinc/40/53/20/981405320.db2.gz YSRMQDQTGOCCFX-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO CN(Cc1ccc(C2=CCC[NH2+]C2)nc1)C1CC1 ZINC001240656465 981567318 /nfs/dbraw/zinc/56/73/18/981567318.db2.gz AKWNPASMIQRTGF-UHFFFAOYSA-N 1 3 243.354 2.053 20 0 BEADHO c1ccc([C@H]2C[C@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC001580891708 981722213 /nfs/dbraw/zinc/72/22/13/981722213.db2.gz FFTUGPSODQRQTR-OTJKEOIZSA-N 1 3 242.366 2.273 20 0 BEADHO CCCN(CCC[NH+](C)C)C[C@@H]1CCCCO1 ZINC000336713421 982091458 /nfs/dbraw/zinc/09/14/58/982091458.db2.gz PPEZZWVVHGORPB-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO C[C@H]([NH3+])c1cccc(C2=CCCN(C)C2)c1 ZINC001241570735 982821941 /nfs/dbraw/zinc/82/19/41/982821941.db2.gz OCEPQELISFDSRF-NSHDSACASA-N 1 3 216.328 2.425 20 0 BEADHO CCN1C[C@H](C)N(c2cc[nH+]cc2)C[C@H]1C ZINC001354019628 983117142 /nfs/dbraw/zinc/11/71/42/983117142.db2.gz UBOVYSZGSRIGEY-NEPJUHHUSA-N 1 3 219.332 2.001 20 0 BEADHO Nc1nc2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]1 ZINC001242025924 983237144 /nfs/dbraw/zinc/23/71/44/983237144.db2.gz BWTZALSNCJNLDS-MNOVXSKESA-N 1 3 240.310 2.053 20 0 BEADHO Nc1nc2ccc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[nH]1 ZINC001242025924 983237150 /nfs/dbraw/zinc/23/71/50/983237150.db2.gz BWTZALSNCJNLDS-MNOVXSKESA-N 1 3 240.310 2.053 20 0 BEADHO CCCN1C[C@@H]2C[NH+](CC(C)(C)C)C[C@H]2C1 ZINC001201441372 983243071 /nfs/dbraw/zinc/24/30/71/983243071.db2.gz CSEHLXVUYCDJJD-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[NH+]1C[C@@H]2CN(CC(C)(C)C)C[C@H]2C1 ZINC001201441372 983243083 /nfs/dbraw/zinc/24/30/83/983243083.db2.gz CSEHLXVUYCDJJD-CHWSQXEVSA-N 1 3 224.392 2.306 20 0 BEADHO CCCN1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@H]2C1 ZINC001201516848 983314469 /nfs/dbraw/zinc/31/44/69/983314469.db2.gz DMKPZFXLMQXTJJ-MGPQQGTHSA-N 1 3 224.392 2.306 20 0 BEADHO C[N@@H+]1CCC[C@@H]2CN(CCc3ccccc3)C[C@@H]21 ZINC001201606092 983375517 /nfs/dbraw/zinc/37/55/17/983375517.db2.gz IJZYYHDXBSEGEN-CVEARBPZSA-N 1 3 244.382 2.255 20 0 BEADHO C[N@H+]1CCC[C@@H]2CN(CCc3ccccc3)C[C@@H]21 ZINC001201606092 983375522 /nfs/dbraw/zinc/37/55/22/983375522.db2.gz IJZYYHDXBSEGEN-CVEARBPZSA-N 1 3 244.382 2.255 20 0 BEADHO CCCC[NH+]1C[C@H]2CN(CCC)C[C@@H]2C1 ZINC001201717227 983423606 /nfs/dbraw/zinc/42/36/06/983423606.db2.gz GUDVYAPPAJVZHF-CHWSQXEVSA-N 1 3 210.365 2.060 20 0 BEADHO CCCCN1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001201717227 983423616 /nfs/dbraw/zinc/42/36/16/983423616.db2.gz GUDVYAPPAJVZHF-CHWSQXEVSA-N 1 3 210.365 2.060 20 0 BEADHO CCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001201737142 983444595 /nfs/dbraw/zinc/44/45/95/983444595.db2.gz DGFWSCNPKAWUSJ-UHFFFAOYSA-N 1 3 210.365 2.204 20 0 BEADHO N[C@@H]1CCCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001205938447 983587639 /nfs/dbraw/zinc/58/76/39/983587639.db2.gz HRJGXDGALFFBMQ-OAHLLOKOSA-N 1 3 244.382 2.489 20 0 BEADHO N[C@@H]1CCCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001205938447 983587650 /nfs/dbraw/zinc/58/76/50/983587650.db2.gz HRJGXDGALFFBMQ-OAHLLOKOSA-N 1 3 244.382 2.489 20 0 BEADHO N[C@H]1CCCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001205938438 983591101 /nfs/dbraw/zinc/59/11/01/983591101.db2.gz HRJGXDGALFFBMQ-HNNXBMFYSA-N 1 3 244.382 2.489 20 0 BEADHO N[C@H]1CCCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001205938438 983591105 /nfs/dbraw/zinc/59/11/05/983591105.db2.gz HRJGXDGALFFBMQ-HNNXBMFYSA-N 1 3 244.382 2.489 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C\c1cccc(F)c1 ZINC001576105052 984155086 /nfs/dbraw/zinc/15/50/86/984155086.db2.gz NABOXLZEIKFCAG-UARRTVENSA-N 1 3 222.307 2.164 20 0 BEADHO C[NH2+]Cc1cccc(-c2nccc3c2CCN3)c1 ZINC001242995279 984358445 /nfs/dbraw/zinc/35/84/45/984358445.db2.gz JFZYBYJEGWVWTI-UHFFFAOYSA-N 1 3 239.322 2.436 20 0 BEADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccoc1)CC2 ZINC001275944004 984740184 /nfs/dbraw/zinc/74/01/84/984740184.db2.gz XCCOWFKGJFMSAH-UHFFFAOYSA-N 1 3 234.343 2.197 20 0 BEADHO C[N@H+]1CCC2(C1)CCN(Cc1ccoc1)CC2 ZINC001275944004 984740214 /nfs/dbraw/zinc/74/02/14/984740214.db2.gz XCCOWFKGJFMSAH-UHFFFAOYSA-N 1 3 234.343 2.197 20 0 BEADHO CCn1ccc(CN(C)C[C@@H](C[NH3+])C(C)C)c1 ZINC001578350434 984984663 /nfs/dbraw/zinc/98/46/63/984984663.db2.gz OSOWZDPJWPZOTA-CQSZACIVSA-N 1 3 237.391 2.171 20 0 BEADHO C[N@@H+](CCCN)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001578466476 985098940 /nfs/dbraw/zinc/09/89/40/985098940.db2.gz OERWNFQHXZDKSS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@H+](CCCN)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001578466476 985098930 /nfs/dbraw/zinc/09/89/30/985098930.db2.gz OERWNFQHXZDKSS-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[NH2+]C[C@@H](C)NCC1(CCOC)CCCCC1 ZINC001578638352 985248192 /nfs/dbraw/zinc/24/81/92/985248192.db2.gz LVXQUPRXGYMFDO-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO CNc1ccc(C)cc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC001578757611 985326905 /nfs/dbraw/zinc/32/69/05/985326905.db2.gz UUDQPNOPIMLVDT-RYUDHWBXSA-N 1 3 235.375 2.252 20 0 BEADHO CO[C@@H](CN[C@@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912782 985516835 /nfs/dbraw/zinc/51/68/35/985516835.db2.gz MENBBCLCOXQBFF-NEPJUHHUSA-N 1 3 230.396 2.011 20 0 BEADHO C[C@@H](CC1CC1)[NH+]1CCN(c2ccncc2)CC1 ZINC001258458298 985906157 /nfs/dbraw/zinc/90/61/57/985906157.db2.gz RZFHUULUVAGQOB-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H](CC1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001258458298 985906173 /nfs/dbraw/zinc/90/61/73/985906173.db2.gz RZFHUULUVAGQOB-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@@H]1C[N@H+](CC(C)(C)Oc2ccccc2)C[C@H]1N ZINC001579439943 985929142 /nfs/dbraw/zinc/92/91/42/985929142.db2.gz DHYHLQZWVIIXBI-TZMCWYRMSA-N 1 3 248.370 2.123 20 0 BEADHO C[C@@H]1C[N@@H+](CC(C)(C)Oc2ccccc2)C[C@H]1N ZINC001579439943 985929154 /nfs/dbraw/zinc/92/91/54/985929154.db2.gz DHYHLQZWVIIXBI-TZMCWYRMSA-N 1 3 248.370 2.123 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001579467741 985967956 /nfs/dbraw/zinc/96/79/56/985967956.db2.gz WMDGKXXYSMYJEO-DGCLKSJQSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cc(C)cc(CCNCC(C)(C)[NH3+])c1 ZINC001579579553 986093055 /nfs/dbraw/zinc/09/30/55/986093055.db2.gz HQPQDWNONGMFEI-UHFFFAOYSA-N 1 3 220.360 2.173 20 0 BEADHO Cc1cccc(C[C@H](C)[NH2+][C@H]2C[C@@H](N)C2)c1 ZINC001579759605 986208477 /nfs/dbraw/zinc/20/84/77/986208477.db2.gz PGOYOPYPOPHXDD-FPMFFAJLSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1cccc(C[C@H](C)N[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001579759605 986208502 /nfs/dbraw/zinc/20/85/02/986208502.db2.gz PGOYOPYPOPHXDD-FPMFFAJLSA-N 1 3 218.344 2.005 20 0 BEADHO Cc1cccc(CNCC2=CC[NH2+]CC2)c1F ZINC001579761304 986216813 /nfs/dbraw/zinc/21/68/13/986216813.db2.gz YUECSAHHQYOBNF-UHFFFAOYSA-N 1 3 234.318 2.143 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCC=CO1 ZINC001462672622 986505786 /nfs/dbraw/zinc/50/57/86/986505786.db2.gz KPWLWWQZVCXEDQ-ZIAGYGMSSA-N 1 3 240.391 2.389 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC001462672622 986505819 /nfs/dbraw/zinc/50/58/19/986505819.db2.gz KPWLWWQZVCXEDQ-ZIAGYGMSSA-N 1 3 240.391 2.389 20 0 BEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@H]1CCCOC1 ZINC001254367616 986592891 /nfs/dbraw/zinc/59/28/91/986592891.db2.gz KPVRZBQLAOGIGB-LBPRGKRZSA-N 1 3 240.391 2.146 20 0 BEADHO C[N@@H+]1CCC[C@@H](N2CC3(C2)CCCC3)CC1 ZINC001254519767 986657995 /nfs/dbraw/zinc/65/79/95/986657995.db2.gz KIGPHJMSGRGHMU-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO C[N@H+]1CCC[C@@H](N2CC3(C2)CCCC3)CC1 ZINC001254519767 986658004 /nfs/dbraw/zinc/65/80/04/986658004.db2.gz KIGPHJMSGRGHMU-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO NCC1(C[NH2+]CC2CCC=CCC2)CCC1 ZINC001580243495 986695529 /nfs/dbraw/zinc/69/55/29/986695529.db2.gz IPYYAZIZHCSGIN-UHFFFAOYSA-N 1 3 222.376 2.451 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC001580286309 986734491 /nfs/dbraw/zinc/73/44/91/986734491.db2.gz CKEZVBDIUUKMDR-CYBMUJFWSA-N 1 3 242.432 2.333 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CC1CCSCC1 ZINC001580286309 986734494 /nfs/dbraw/zinc/73/44/94/986734494.db2.gz CKEZVBDIUUKMDR-CYBMUJFWSA-N 1 3 242.432 2.333 20 0 BEADHO C[C@@H](Cc1ccccc1F)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001255841784 987074827 /nfs/dbraw/zinc/07/48/27/987074827.db2.gz KLHFRJCLWVYOIJ-LEWSCRJBSA-N 1 3 236.334 2.226 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001255944789 987078201 /nfs/dbraw/zinc/07/82/01/987078201.db2.gz ZKJGBSHJHYWLJR-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC001255944792 987078861 /nfs/dbraw/zinc/07/88/61/987078861.db2.gz ZKJGBSHJHYWLJR-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)([NH3+])c1ccc(-c2cccc(CN)n2)cc1 ZINC001245908563 987135949 /nfs/dbraw/zinc/13/59/49/987135949.db2.gz VSGMWSCPIQKRTC-UHFFFAOYSA-N 1 3 241.338 2.401 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657813 987288325 /nfs/dbraw/zinc/28/83/25/987288325.db2.gz AIQKXNBCFRNUME-RYKAKRHSSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691657813 987288336 /nfs/dbraw/zinc/28/83/36/987288336.db2.gz AIQKXNBCFRNUME-RYKAKRHSSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1SCCN(C[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697058709 987346495 /nfs/dbraw/zinc/34/64/95/987346495.db2.gz TYRWPJPVOHUGDB-AVGNSLFASA-N 1 3 242.432 2.202 20 0 BEADHO CC1(C)CN(C[C@@H]2CCCC[NH2+]C2)CCS1 ZINC000697054712 987346809 /nfs/dbraw/zinc/34/68/09/987346809.db2.gz DSPWJTZBILRIJP-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C)CCN1 ZINC001246066971 987354199 /nfs/dbraw/zinc/35/41/99/987354199.db2.gz SQSCZDJTWXXKFS-FVCCEPFGSA-N 1 3 210.365 2.295 20 0 BEADHO Fc1cccc2c1C[C@H]([NH2+]C1CCNCC1)CC2 ZINC001246076986 987367939 /nfs/dbraw/zinc/36/79/39/987367939.db2.gz FOSCIVXOPYTPDN-CYBMUJFWSA-N 1 3 248.345 2.025 20 0 BEADHO Fc1cccc2c1C[C@H](NC1CC[NH2+]CC1)CC2 ZINC001246076986 987367946 /nfs/dbraw/zinc/36/79/46/987367946.db2.gz FOSCIVXOPYTPDN-CYBMUJFWSA-N 1 3 248.345 2.025 20 0 BEADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC001246076989 987368585 /nfs/dbraw/zinc/36/85/85/987368585.db2.gz FOSCIVXOPYTPDN-ZDUSSCGKSA-N 1 3 248.345 2.025 20 0 BEADHO Fc1cccc2c1C[C@@H](NC1CC[NH2+]CC1)CC2 ZINC001246076989 987368589 /nfs/dbraw/zinc/36/85/89/987368589.db2.gz FOSCIVXOPYTPDN-ZDUSSCGKSA-N 1 3 248.345 2.025 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246080746 987376262 /nfs/dbraw/zinc/37/62/62/987376262.db2.gz JQASRWZKMWPGNU-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO CN(C)[C@H](CNc1cc[nH+]cc1)c1cccs1 ZINC001116177453 987461334 /nfs/dbraw/zinc/46/13/34/987461334.db2.gz JJXMAJHTQKMPLL-GFCCVEGCSA-N 1 3 247.367 2.280 20 0 BEADHO C[C@H]1CC([NH2+][C@@H]2CNCC23CC3)C[C@H](C)C1 ZINC001246127980 987478895 /nfs/dbraw/zinc/47/88/95/987478895.db2.gz CZPLZYZJSZICFV-NQBHXWOUSA-N 1 3 222.376 2.153 20 0 BEADHO C1CC12CNC[C@@H]2[NH2+]C1CCCCCCC1 ZINC001246131461 987484488 /nfs/dbraw/zinc/48/44/88/987484488.db2.gz KCRBWNYESLJRAY-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CNCC23CC3)C[C@@H]1C ZINC001246135224 987487848 /nfs/dbraw/zinc/48/78/48/987487848.db2.gz SYORIVJODBGVPE-MROQNXINSA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)CCC[C@@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246136395 987493634 /nfs/dbraw/zinc/49/36/34/987493634.db2.gz WTSJIXYSZFDKFS-NEPJUHHUSA-N 1 3 222.376 2.297 20 0 BEADHO CCC[C@H](C)CC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147890 987504182 /nfs/dbraw/zinc/50/41/82/987504182.db2.gz LBHJASKSCWHGJJ-QSLWVIQJSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1 ZINC001246178113 987546896 /nfs/dbraw/zinc/54/68/96/987546896.db2.gz HBDXDPGXHWKBAO-DTZPQEEQSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1 ZINC001246178116 987550953 /nfs/dbraw/zinc/55/09/53/987550953.db2.gz HBDXDPGXHWKBAO-ROZWMTPISA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2CCCCCCC2)CN1 ZINC001246242296 987645942 /nfs/dbraw/zinc/64/59/42/987645942.db2.gz DCMVDFQFPFSAHH-AAEUAGOBSA-N 1 3 210.365 2.439 20 0 BEADHO Cc1cccc2c1CC[C@@H]([NH2+]CC(C)(C)CN)C2 ZINC001246253559 987652930 /nfs/dbraw/zinc/65/29/30/987652930.db2.gz ZQBNUQASPTUZLH-CQSZACIVSA-N 1 3 246.398 2.427 20 0 BEADHO CCC1([NH2+][C@H]2CN[C@@H](C)C2)CCCCC1 ZINC001246253242 987653582 /nfs/dbraw/zinc/65/35/82/987653582.db2.gz DDLJPYKBZYOWQK-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1cccc(F)c1 ZINC001246312079 987711720 /nfs/dbraw/zinc/71/17/20/987711720.db2.gz FMTMYPLYEAMTAA-GXFFZTMASA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246344721 987751562 /nfs/dbraw/zinc/75/15/62/987751562.db2.gz COOIRAMZKGZUFT-BZPMIXESSA-N 1 3 248.370 2.053 20 0 BEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246354100 987759168 /nfs/dbraw/zinc/75/91/68/987759168.db2.gz UKVPLUPGNJZPNX-DYEKYZERSA-N 1 3 248.370 2.053 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC001246363598 987773258 /nfs/dbraw/zinc/77/32/58/987773258.db2.gz KVBFWHLEHRSJIX-VBNZEHGJSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1CC[C@H](NCC2Cc3ccccc3C2)C[NH2+]1 ZINC001246375754 987774480 /nfs/dbraw/zinc/77/44/80/987774480.db2.gz KNQJXEZLICRUOB-WBMJQRKESA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2Cc3ccccc3C2)CCN1 ZINC001246378645 987775895 /nfs/dbraw/zinc/77/58/95/987775895.db2.gz XXVHFXVHSSFDOW-LRDDRELGSA-N 1 3 244.382 2.132 20 0 BEADHO CC1([NH2+]C2CCNCC2)CCC(F)(F)CC1 ZINC001246409870 987790063 /nfs/dbraw/zinc/79/00/63/987790063.db2.gz DDTBVZDLZUODNH-UHFFFAOYSA-N 1 3 232.318 2.296 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246457776 987816391 /nfs/dbraw/zinc/81/63/91/987816391.db2.gz UZIRCVZKLSUEEQ-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCC[C@@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246457777 987817488 /nfs/dbraw/zinc/81/74/88/987817488.db2.gz UZIRCVZKLSUEEQ-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1C[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001246459893 987819533 /nfs/dbraw/zinc/81/95/33/987819533.db2.gz HTBLJIUNSHFWBL-ZPFDUUQYSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC001246539295 987902220 /nfs/dbraw/zinc/90/22/20/987902220.db2.gz HECQLJLNRQBCLU-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CCC[C@H](C)C2)C[C@H]1CN ZINC001246539295 987902230 /nfs/dbraw/zinc/90/22/30/987902230.db2.gz HECQLJLNRQBCLU-RVMXOQNASA-N 1 3 210.365 2.092 20 0 BEADHO CC(C)OC1CCC(N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001246548316 987938410 /nfs/dbraw/zinc/93/84/10/987938410.db2.gz HLLSACZWIJHPEF-BLYZHGLHSA-N 1 3 240.391 2.144 20 0 BEADHO CC[C@@H]1CC[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246557585 987974169 /nfs/dbraw/zinc/97/41/69/987974169.db2.gz MIZWOROXXRCCCN-UTUOFQBUSA-N 1 3 246.345 2.481 20 0 BEADHO CC1([NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC001118118919 988020797 /nfs/dbraw/zinc/02/07/97/988020797.db2.gz KQDNVEDJDQBJML-NWDGAFQWSA-N 1 3 202.301 2.273 20 0 BEADHO CSC(C)(C)C[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246569042 988039823 /nfs/dbraw/zinc/03/98/23/988039823.db2.gz UQJRYHFFWGSONC-OUAUKWLOSA-N 1 3 230.421 2.186 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(F)CC2)CCN1 ZINC001246573130 988059460 /nfs/dbraw/zinc/05/94/60/988059460.db2.gz YUBYOFQTQWTFPD-FRRDWIJNSA-N 1 3 228.355 2.341 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(F)CC2)CCN1 ZINC001246573130 988059478 /nfs/dbraw/zinc/05/94/78/988059478.db2.gz YUBYOFQTQWTFPD-FRRDWIJNSA-N 1 3 228.355 2.341 20 0 BEADHO CCCc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC001118196296 988084438 /nfs/dbraw/zinc/08/44/38/988084438.db2.gz AWIJTVKAABTWFF-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@@H](C)C2)CCN1 ZINC001246578152 988094000 /nfs/dbraw/zinc/09/40/00/988094000.db2.gz YJQMPHGCOLYBLB-RQJABVFESA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H](C)C2)CCN1 ZINC001246578152 988094019 /nfs/dbraw/zinc/09/40/19/988094019.db2.gz YJQMPHGCOLYBLB-RQJABVFESA-N 1 3 224.392 2.495 20 0 BEADHO CCSC[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246582508 988112368 /nfs/dbraw/zinc/11/23/68/988112368.db2.gz NCWSZHBRWQODCA-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CCSC[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246582508 988112381 /nfs/dbraw/zinc/11/23/81/988112381.db2.gz NCWSZHBRWQODCA-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CC(C)OCC[C@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246584166 988128595 /nfs/dbraw/zinc/12/85/95/988128595.db2.gz SOQUJIIKDGVMBP-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCC[C@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246584166 988128601 /nfs/dbraw/zinc/12/86/01/988128601.db2.gz SOQUJIIKDGVMBP-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246584423 988135577 /nfs/dbraw/zinc/13/55/77/988135577.db2.gz ALUDKAYKLDXMEI-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)CC2)CCN1 ZINC001246584423 988135589 /nfs/dbraw/zinc/13/55/89/988135589.db2.gz ALUDKAYKLDXMEI-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO CCC[C@H](C)CC[C@H](C)N1CC(C[NH3+])C1 ZINC001246594105 988186727 /nfs/dbraw/zinc/18/67/27/988186727.db2.gz JSJLJIJMPVOTKF-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)C1CCC([N@@H+]2CCC3(CNC3)C2)CC1 ZINC001246628968 988305222 /nfs/dbraw/zinc/30/52/22/988305222.db2.gz FDSJKQGVJZRUFZ-UHFFFAOYSA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)C1CCC([N@H+]2CCC3(CNC3)C2)CC1 ZINC001246628968 988305239 /nfs/dbraw/zinc/30/52/39/988305239.db2.gz FDSJKQGVJZRUFZ-UHFFFAOYSA-N 1 3 236.403 2.497 20 0 BEADHO CC1CCC(N2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246635509 988324876 /nfs/dbraw/zinc/32/48/76/988324876.db2.gz CBSVSPMQVNDZDK-FIYWTHMPSA-N 1 3 208.349 2.001 20 0 BEADHO CC1CCC([N@@H+]2CC[C@H]3NCC[C@H]32)CC1 ZINC001246635509 988324897 /nfs/dbraw/zinc/32/48/97/988324897.db2.gz CBSVSPMQVNDZDK-FIYWTHMPSA-N 1 3 208.349 2.001 20 0 BEADHO CC1CCC([N@H+]2CC[C@H]3NCC[C@H]32)CC1 ZINC001246635509 988324910 /nfs/dbraw/zinc/32/49/10/988324910.db2.gz CBSVSPMQVNDZDK-FIYWTHMPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H]1C ZINC001246642106 988347108 /nfs/dbraw/zinc/34/71/08/988347108.db2.gz ZEYVORMFGNMNBC-XVIXHAIJSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C[C@@H]1C ZINC001246642106 988347123 /nfs/dbraw/zinc/34/71/23/988347123.db2.gz ZEYVORMFGNMNBC-XVIXHAIJSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3NCC[C@H]32)C[C@@H]1C ZINC001246642106 988347138 /nfs/dbraw/zinc/34/71/38/988347138.db2.gz ZEYVORMFGNMNBC-XVIXHAIJSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246647143 988360587 /nfs/dbraw/zinc/36/05/87/988360587.db2.gz ZEYVORMFGNMNBC-PEBLQZBPSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@H]1C ZINC001246647143 988360606 /nfs/dbraw/zinc/36/06/06/988360606.db2.gz ZEYVORMFGNMNBC-PEBLQZBPSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@H]1C ZINC001246647143 988360622 /nfs/dbraw/zinc/36/06/22/988360622.db2.gz ZEYVORMFGNMNBC-PEBLQZBPSA-N 1 3 222.376 2.247 20 0 BEADHO CC(C)C1CCC(N2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001246650894 988376113 /nfs/dbraw/zinc/37/61/13/988376113.db2.gz JPSFNXNRRHRUQT-OOJKYFRXSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246656358 988382313 /nfs/dbraw/zinc/38/23/13/988382313.db2.gz NAMZUTOOPVEZSY-OSAQELSMSA-N 1 3 248.345 2.180 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246656358 988382321 /nfs/dbraw/zinc/38/23/21/988382321.db2.gz NAMZUTOOPVEZSY-OSAQELSMSA-N 1 3 248.345 2.180 20 0 BEADHO CCC[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657929 988386332 /nfs/dbraw/zinc/38/63/32/988386332.db2.gz AOGLKUOMMWXMKW-LVQVYYBASA-N 1 3 244.382 2.287 20 0 BEADHO CCC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657929 988386340 /nfs/dbraw/zinc/38/63/40/988386340.db2.gz AOGLKUOMMWXMKW-LVQVYYBASA-N 1 3 244.382 2.287 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246656185 988387793 /nfs/dbraw/zinc/38/77/93/988387793.db2.gz NAMZUTOOPVEZSY-CORIIIEPSA-N 1 3 248.345 2.180 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001246656185 988387799 /nfs/dbraw/zinc/38/77/99/988387799.db2.gz NAMZUTOOPVEZSY-CORIIIEPSA-N 1 3 248.345 2.180 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657927 988388604 /nfs/dbraw/zinc/38/86/04/988388604.db2.gz AOGLKUOMMWXMKW-JONQDZQNSA-N 1 3 244.382 2.287 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246657927 988388612 /nfs/dbraw/zinc/38/86/12/988388612.db2.gz AOGLKUOMMWXMKW-JONQDZQNSA-N 1 3 244.382 2.287 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246661857 988400859 /nfs/dbraw/zinc/40/08/59/988400859.db2.gz MHCHQAMZUXPSLY-FQUUOJAGSA-N 1 3 224.392 2.480 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246661857 988400862 /nfs/dbraw/zinc/40/08/62/988400862.db2.gz MHCHQAMZUXPSLY-FQUUOJAGSA-N 1 3 224.392 2.480 20 0 BEADHO CC[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246842848 988550241 /nfs/dbraw/zinc/55/02/41/988550241.db2.gz DZLBQQYOQMZFTN-MELADBBJSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246842848 988550250 /nfs/dbraw/zinc/55/02/50/988550250.db2.gz DZLBQQYOQMZFTN-MELADBBJSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246846177 988553392 /nfs/dbraw/zinc/55/33/92/988553392.db2.gz NDDBSKYPKCPMMD-GRYCIOLGSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC2(C)C)CCN1 ZINC001246846177 988553404 /nfs/dbraw/zinc/55/34/04/988553404.db2.gz NDDBSKYPKCPMMD-GRYCIOLGSA-N 1 3 210.365 2.105 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246850255 988563527 /nfs/dbraw/zinc/56/35/27/988563527.db2.gz BWOUWYNYSLOQBZ-FQUUOJAGSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246850255 988563539 /nfs/dbraw/zinc/56/35/39/988563539.db2.gz BWOUWYNYSLOQBZ-FQUUOJAGSA-N 1 3 240.391 2.003 20 0 BEADHO CCC[N@H+](C1CCOCC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246900256 988673698 /nfs/dbraw/zinc/67/36/98/988673698.db2.gz UOTJSRDMYYEVPC-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C1CCOCC1)[C@@H]1CCN[C@@H](C)C1 ZINC001246900256 988673706 /nfs/dbraw/zinc/67/37/06/988673706.db2.gz UOTJSRDMYYEVPC-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001325744828 989249785 /nfs/dbraw/zinc/24/97/85/989249785.db2.gz VLUVJVCFFQDBJZ-UPJWGTAASA-N 1 3 242.407 2.166 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C/C=C/C1CC1 ZINC001326036394 989338444 /nfs/dbraw/zinc/33/84/44/989338444.db2.gz QKTGMJYVULWBSQ-UFFNRZRYSA-N 1 3 245.370 2.466 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)CCC2 ZINC001326459428 989568202 /nfs/dbraw/zinc/56/82/02/989568202.db2.gz OIUNSCVMIMNJSE-VXGBXAGGSA-N 1 3 232.371 2.391 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)Cc1ccco1 ZINC001258176413 991074003 /nfs/dbraw/zinc/07/40/03/991074003.db2.gz UPAAOARQUZGKEL-LBPRGKRZSA-N 1 3 224.348 2.271 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1ccco1 ZINC001258176413 991074016 /nfs/dbraw/zinc/07/40/16/991074016.db2.gz UPAAOARQUZGKEL-LBPRGKRZSA-N 1 3 224.348 2.271 20 0 BEADHO CCCN(CCC[NH3+])[C@@H](C)Cc1ccco1 ZINC001258176413 991074027 /nfs/dbraw/zinc/07/40/27/991074027.db2.gz UPAAOARQUZGKEL-LBPRGKRZSA-N 1 3 224.348 2.271 20 0 BEADHO C[C@@H](Cc1ccco1)[NH+]1CCC2(CN(C)C2)CC1 ZINC001258198661 991115904 /nfs/dbraw/zinc/11/59/04/991115904.db2.gz IZXBBNPCGQMNRM-ZDUSSCGKSA-N 1 3 248.370 2.238 20 0 BEADHO CSCC[C@@H](C)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258223793 991159947 /nfs/dbraw/zinc/15/99/47/991159947.db2.gz FIJPJGUOIDYLBD-JHJVBQTASA-N 1 3 242.432 2.012 20 0 BEADHO CC(C)SCC[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308984331 991252736 /nfs/dbraw/zinc/25/27/36/991252736.db2.gz HGSBODJXOVUNOB-FRRDWIJNSA-N 1 3 242.432 2.058 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC4(CCC4)C3)[C@@H]2C1 ZINC001308983729 991252875 /nfs/dbraw/zinc/25/28/75/991252875.db2.gz AVYILQVSOFLQMX-IACUBPJLSA-N 1 3 234.387 2.249 20 0 BEADHO C[C@@H](CC1CC1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258460588 991413332 /nfs/dbraw/zinc/41/33/32/991413332.db2.gz IWKNYLRXCMONKL-YUTCNCBUSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H](CC1CC1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258460588 991413335 /nfs/dbraw/zinc/41/33/35/991413335.db2.gz IWKNYLRXCMONKL-YUTCNCBUSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001560622563 991523221 /nfs/dbraw/zinc/52/32/21/991523221.db2.gz KSRMRUOLXDYHLW-PEBLQZBPSA-N 1 3 222.376 2.105 20 0 BEADHO Cc1cc(CN(C)C2CC[NH+](C)CC2)ccc1O ZINC001140574361 991674949 /nfs/dbraw/zinc/67/49/49/991674949.db2.gz ANQCYSRKUTYKBL-UHFFFAOYSA-N 1 3 248.370 2.227 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)C1CCC1 ZINC001561053645 991712328 /nfs/dbraw/zinc/71/23/28/991712328.db2.gz XZYWYUREPOJRHZ-ZQDZILKHSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@H](Cc1ccccc1)NC1(C[NH3+])CC1 ZINC001258843379 991876372 /nfs/dbraw/zinc/87/63/72/991876372.db2.gz DWKIGRLGEHPZHI-CYBMUJFWSA-N 1 3 218.344 2.089 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)N1CCOC[C@@H]1C ZINC001258907278 991897000 /nfs/dbraw/zinc/89/70/00/991897000.db2.gz HKWMHHKAZLQWMS-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)N1CCOC[C@H]1C ZINC001258907281 991899546 /nfs/dbraw/zinc/89/95/46/991899546.db2.gz HKWMHHKAZLQWMS-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO C[N@@H+]1CC[C@@H](NC/C=C/C2CC2)CC1(C)C ZINC001261789259 992507849 /nfs/dbraw/zinc/50/78/49/992507849.db2.gz XYVJRJNCWOSORV-MUBLQREKSA-N 1 3 222.376 2.415 20 0 BEADHO C[N@H+]1CC[C@@H](NC/C=C/C2CC2)CC1(C)C ZINC001261789259 992507861 /nfs/dbraw/zinc/50/78/61/992507861.db2.gz XYVJRJNCWOSORV-MUBLQREKSA-N 1 3 222.376 2.415 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]CCC(C)(C)C)[C@H]2C1 ZINC001474757048 992524139 /nfs/dbraw/zinc/52/41/39/992524139.db2.gz OTAHFWVGBKLQIC-AVGNSLFASA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H](C[NH2+]Cc1cccn1C1CC1)CN(C)C ZINC001262031438 992618024 /nfs/dbraw/zinc/61/80/24/992618024.db2.gz RORHLAIJEIPMLD-LBPRGKRZSA-N 1 3 235.375 2.110 20 0 BEADHO [NH3+]C[C@@H]1CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC001574270551 992835797 /nfs/dbraw/zinc/83/57/97/992835797.db2.gz HVBUOIHCCLVJEY-ZDUSSCGKSA-N 1 3 243.354 2.339 20 0 BEADHO C1=C[C@H]2CC[C@@H](C1)N2C[C@H]1CCCC[NH2+]C1 ZINC001574774709 992902708 /nfs/dbraw/zinc/90/27/08/992902708.db2.gz PFUYORRKZXLQMX-MELADBBJSA-N 1 3 220.360 2.169 20 0 BEADHO C(C1CCC1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001574774986 992903454 /nfs/dbraw/zinc/90/34/54/992903454.db2.gz SIWCOGSEKYFQMI-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO C(C1CCC1)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001574774986 992903462 /nfs/dbraw/zinc/90/34/62/992903462.db2.gz SIWCOGSEKYFQMI-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO C(C1CCC1)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001574774986 992903469 /nfs/dbraw/zinc/90/34/69/992903469.db2.gz SIWCOGSEKYFQMI-AWEZNQCLSA-N 1 3 222.376 2.395 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CCCC[C@H]1O ZINC001575131077 992993518 /nfs/dbraw/zinc/99/35/18/992993518.db2.gz SFJJPJQTKQXKSP-JHJVBQTASA-N 1 3 242.407 2.033 20 0 BEADHO CC(C)CCn1cccc1CNCC[C@H](C)[NH3+] ZINC001575588218 993075712 /nfs/dbraw/zinc/07/57/12/993075712.db2.gz XFMMWVDZKRDWJI-ZDUSSCGKSA-N 1 3 237.391 2.361 20 0 BEADHO CC(C)OC1(C[NH2+][C@H]2C[C@@H](N)C2(C)C)CCC1 ZINC001575748626 993103221 /nfs/dbraw/zinc/10/32/21/993103221.db2.gz BZNRJZILKCYSFC-NEPJUHHUSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H]([NH2+]C[C@H]1C[C@H]1C1CCCC1)C1CNC1 ZINC001576245327 993228573 /nfs/dbraw/zinc/22/85/73/993228573.db2.gz OPDKJEARWLAXRG-SUHUHFCYSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CC2CCC1CC2 ZINC001576252803 993231748 /nfs/dbraw/zinc/23/17/48/993231748.db2.gz TZXOBTRFCQTNRF-IOXRHEGJSA-N 1 3 236.403 2.399 20 0 BEADHO [NH3+]C[C@H]1CCCCN(Cc2ccsc2)C1 ZINC000379908975 993292888 /nfs/dbraw/zinc/29/28/88/993292888.db2.gz LJSBZNFMPKHUJB-LLVKDONJSA-N 1 3 224.373 2.309 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC12CCC(CC1)C2 ZINC001576608559 993366458 /nfs/dbraw/zinc/36/64/58/993366458.db2.gz UNJIQEHAFMBHIZ-ZIHBUVQPSA-N 1 3 222.376 2.378 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608559 993366462 /nfs/dbraw/zinc/36/64/62/993366462.db2.gz UNJIQEHAFMBHIZ-ZIHBUVQPSA-N 1 3 222.376 2.378 20 0 BEADHO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+][C@@H]1CCNC1 ZINC001576647936 993382233 /nfs/dbraw/zinc/38/22/33/993382233.db2.gz VNQAVMFGHNUVEE-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[NH2+]C[C@@H](NCCC[C@H]2C=CCC2)C1 ZINC001576849832 993434037 /nfs/dbraw/zinc/43/40/37/993434037.db2.gz LEBGHUARJKHCGK-IHRRRGAJSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@@H]1C[C@H](NC/C=C/C2CC2)CC[N@@H+]1C ZINC000382312863 993447578 /nfs/dbraw/zinc/44/75/78/993447578.db2.gz QPCUKPDTDLLCIG-NAGRZINJSA-N 1 3 208.349 2.025 20 0 BEADHO C[C@@H]1C[C@H](NC/C=C/C2CC2)CC[N@H+]1C ZINC000382312863 993447584 /nfs/dbraw/zinc/44/75/84/993447584.db2.gz QPCUKPDTDLLCIG-NAGRZINJSA-N 1 3 208.349 2.025 20 0 BEADHO CC[C@@H](CC(F)F)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001577044140 993487628 /nfs/dbraw/zinc/48/76/28/993487628.db2.gz PDCCVHOSZDDIIM-LOWVWBTDSA-N 1 3 246.345 2.209 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2occc2c1 ZINC001577124431 993510721 /nfs/dbraw/zinc/51/07/21/993510721.db2.gz AKXIXWYTSHOYGY-LBPRGKRZSA-N 1 3 218.300 2.260 20 0 BEADHO C1[C@H]([NH2+]C2CCNCC2)C12CCCCC2 ZINC000386871350 993695912 /nfs/dbraw/zinc/69/59/12/993695912.db2.gz HAIPRCDOQVWCRS-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO CC[N@H+](C[C@H](C)OC)C[C@@H](N)CCC(C)(C)C ZINC001577672059 993721778 /nfs/dbraw/zinc/72/17/78/993721778.db2.gz SETSLJDYAWDXOO-STQMWFEESA-N 1 3 244.423 2.497 20 0 BEADHO CC[N@@H+](C[C@H](C)OC)C[C@@H](N)CCC(C)(C)C ZINC001577672059 993721788 /nfs/dbraw/zinc/72/17/88/993721788.db2.gz SETSLJDYAWDXOO-STQMWFEESA-N 1 3 244.423 2.497 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@@H+]1CC1(c2ccccc2)CC1 ZINC000702795652 994049622 /nfs/dbraw/zinc/04/96/22/994049622.db2.gz NTBUBFJZNGYJSD-TZMCWYRMSA-N 1 3 230.355 2.140 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@H+]1CC1(c2ccccc2)CC1 ZINC000702795652 994049629 /nfs/dbraw/zinc/04/96/29/994049629.db2.gz NTBUBFJZNGYJSD-TZMCWYRMSA-N 1 3 230.355 2.140 20 0 BEADHO CCCN(CCc1ccccn1)C1CC[NH2+]CC1 ZINC000037662669 1170964782 /nfs/dbraw/zinc/96/47/82/1170964782.db2.gz ZMJPOXGTRRJQCU-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[N@H+](CCc1ccccn1)C1CCNCC1 ZINC000037662669 1170964787 /nfs/dbraw/zinc/96/47/87/1170964787.db2.gz ZMJPOXGTRRJQCU-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCC[N@@H+](CCc1ccccn1)C1CCNCC1 ZINC000037662669 1170964795 /nfs/dbraw/zinc/96/47/95/1170964795.db2.gz ZMJPOXGTRRJQCU-UHFFFAOYSA-N 1 3 247.386 2.088 20 0 BEADHO CCCC[C@@H](CC)C[N@H+](C)CCCN ZINC000043454487 1171288821 /nfs/dbraw/zinc/28/88/21/1171288821.db2.gz HXASIGVEWQOPLT-GFCCVEGCSA-N 1 3 200.370 2.483 20 0 BEADHO CCCC[C@@H](CC)C[N@@H+](C)CCCN ZINC000043454487 1171288827 /nfs/dbraw/zinc/28/88/27/1171288827.db2.gz HXASIGVEWQOPLT-GFCCVEGCSA-N 1 3 200.370 2.483 20 0 BEADHO CN(CC[C@H]1CCCC[NH2+]1)CC(C)(C)C ZINC000045074020 1171432929 /nfs/dbraw/zinc/43/29/29/1171432929.db2.gz HVVYVVRRZQGXGY-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCCC1CCN([C@H](C)CC[NH2+]C)CC1 ZINC000052373914 1171961596 /nfs/dbraw/zinc/96/15/96/1171961596.db2.gz IHUSVONTTXWFEA-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CCC1(CC)[C@H]([NH2+][C@H](C)C[C@@H](C)N)C[C@H]1OC ZINC000422943703 398159805 /nfs/dbraw/zinc/15/98/05/398159805.db2.gz RDGURCYWILVPJI-FDYHWXHSSA-N 1 3 242.407 2.296 20 0 BEADHO CCC1(CC)[C@H](N[C@H](C)C[C@@H](C)[NH3+])C[C@H]1OC ZINC000422943703 398159810 /nfs/dbraw/zinc/15/98/10/398159810.db2.gz RDGURCYWILVPJI-FDYHWXHSSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814369 398170357 /nfs/dbraw/zinc/17/03/57/398170357.db2.gz PTZUNLMPGVRZRO-QJPTWQEYSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814369 398170358 /nfs/dbraw/zinc/17/03/58/398170358.db2.gz PTZUNLMPGVRZRO-QJPTWQEYSA-N 1 3 212.381 2.338 20 0 BEADHO CC[NH2+]CCNC1CCC(CSC)CC1 ZINC000423233465 398165213 /nfs/dbraw/zinc/16/52/13/398165213.db2.gz JWZCZYGKTMTGJS-UHFFFAOYSA-N 1 3 230.421 2.107 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336696017 398194464 /nfs/dbraw/zinc/19/44/64/398194464.db2.gz LWLTWNFHCPMIDC-ZDEQEGDKSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@@H]1CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336696017 398194466 /nfs/dbraw/zinc/19/44/66/398194466.db2.gz LWLTWNFHCPMIDC-ZDEQEGDKSA-N 1 3 240.416 2.097 20 0 BEADHO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccn1 ZINC000274871298 178117103 /nfs/dbraw/zinc/11/71/03/178117103.db2.gz FRFQDRVFWJEJHW-OAHLLOKOSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)CC(F)F ZINC000647801219 398207819 /nfs/dbraw/zinc/20/78/19/398207819.db2.gz RPGXYIBZMATDBU-DCAQKATOSA-N 1 3 234.334 2.385 20 0 BEADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647801158 398207845 /nfs/dbraw/zinc/20/78/45/398207845.db2.gz PZJIBIHRUHKRNL-LCGIIJARSA-N 1 3 244.382 2.378 20 0 BEADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](C)N ZINC000649414277 398212936 /nfs/dbraw/zinc/21/29/36/398212936.db2.gz PUXZLDXFCYEOHQ-GXTWGEPZSA-N 1 3 247.386 2.064 20 0 BEADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](C)N ZINC000649414277 398212937 /nfs/dbraw/zinc/21/29/37/398212937.db2.gz PUXZLDXFCYEOHQ-GXTWGEPZSA-N 1 3 247.386 2.064 20 0 BEADHO Cc1cc(N[C@@H]2CC[NH2+]C2)c2ccccc2n1 ZINC000052093672 178183489 /nfs/dbraw/zinc/18/34/89/178183489.db2.gz OVAAEUDUWKFROZ-LLVKDONJSA-N 1 3 227.311 2.317 20 0 BEADHO Cc1cc([C@@H](C)NCCC[NH3+])c(C)s1 ZINC000037713511 178224394 /nfs/dbraw/zinc/22/43/94/178224394.db2.gz VNKPRLKQNZPBSA-SECBINFHSA-N 1 3 212.362 2.364 20 0 BEADHO COc1cccc(Cl)c1CNCCCC[NH3+] ZINC000162016524 349523465 /nfs/dbraw/zinc/52/34/65/349523465.db2.gz UXFUNEWZUAQVPZ-UHFFFAOYSA-N 1 3 242.750 2.177 20 0 BEADHO C[C@H]1C[C@@H]([N@H+](C)C2CCCCC2)CCN1 ZINC000229539153 538939432 /nfs/dbraw/zinc/93/94/32/538939432.db2.gz PZHBMFMTNTYDNX-AAEUAGOBSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+](C)C2CCCCC2)CCN1 ZINC000229539153 538939433 /nfs/dbraw/zinc/93/94/33/538939433.db2.gz PZHBMFMTNTYDNX-AAEUAGOBSA-N 1 3 210.365 2.391 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCOC2)c2ccccc21 ZINC000252794509 136227131 /nfs/dbraw/zinc/22/71/31/136227131.db2.gz YXMMVVYDQGMHBT-KCPJHIHWSA-N 1 3 246.354 2.147 20 0 BEADHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000576694688 365658712 /nfs/dbraw/zinc/65/87/12/365658712.db2.gz MSHXZBIVKSFWLE-NEPJUHHUSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000335365123 398286961 /nfs/dbraw/zinc/28/69/61/398286961.db2.gz YIPJPUXLBHJZCZ-WFASDCNBSA-N 1 3 247.386 2.150 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000335365123 398286964 /nfs/dbraw/zinc/28/69/64/398286964.db2.gz YIPJPUXLBHJZCZ-WFASDCNBSA-N 1 3 247.386 2.150 20 0 BEADHO CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040622286 538971840 /nfs/dbraw/zinc/97/18/40/538971840.db2.gz DVLASFIIZGGXPS-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH+](C)C1CCC(NCc2nccs2)CC1 ZINC000381400005 538999715 /nfs/dbraw/zinc/99/97/15/538999715.db2.gz QRSGDLVGXVQPPT-UHFFFAOYSA-N 1 3 239.388 2.106 20 0 BEADHO CCCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000233042068 342894098 /nfs/dbraw/zinc/89/40/98/342894098.db2.gz IUFFVMRGJQZGMO-NEPJUHHUSA-N 1 3 210.365 2.426 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 ZINC000233088950 342895076 /nfs/dbraw/zinc/89/50/76/342895076.db2.gz RNHRJRVJKBCELJ-VXGBXAGGSA-N 1 3 210.365 2.426 20 0 BEADHO CC1(C)CCCC[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000232768785 342879990 /nfs/dbraw/zinc/87/99/90/342879990.db2.gz PTYCVMPRCWFVKD-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCC1 ZINC000232886175 342887197 /nfs/dbraw/zinc/88/71/97/342887197.db2.gz RNHRJRVJKBCELJ-RYUDHWBXSA-N 1 3 210.365 2.426 20 0 BEADHO CC[C@H](CSC)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000162387676 349683526 /nfs/dbraw/zinc/68/35/26/349683526.db2.gz MRYSGFNAQBSGMJ-FRRDWIJNSA-N 1 3 242.432 2.344 20 0 BEADHO CC[C@H](CSC)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000162387676 349683531 /nfs/dbraw/zinc/68/35/31/349683531.db2.gz MRYSGFNAQBSGMJ-FRRDWIJNSA-N 1 3 242.432 2.344 20 0 BEADHO CCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000562748363 323029664 /nfs/dbraw/zinc/02/96/64/323029664.db2.gz JKTBXEZATYBDCJ-VXGBXAGGSA-N 1 3 236.359 2.301 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000236295616 343089107 /nfs/dbraw/zinc/08/91/07/343089107.db2.gz OEGYZXMAGRTABU-NEPJUHHUSA-N 1 3 208.349 2.036 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000120109123 343108726 /nfs/dbraw/zinc/10/87/26/343108726.db2.gz FEGZLYWWVUJZLL-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000120109123 343108727 /nfs/dbraw/zinc/10/87/27/343108727.db2.gz FEGZLYWWVUJZLL-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CCCNC1 ZINC000132022602 343187484 /nfs/dbraw/zinc/18/74/84/343187484.db2.gz RPPVQIPEDIFZJA-QWHCGFSZSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H](CCc1ccco1)NC[C@@H]1CCC[NH2+]C1 ZINC000132022602 343187487 /nfs/dbraw/zinc/18/74/87/343187487.db2.gz RPPVQIPEDIFZJA-QWHCGFSZSA-N 1 3 236.359 2.190 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381547 343277970 /nfs/dbraw/zinc/27/79/70/343277970.db2.gz IJAWRVGOGPHHBA-IUCAKERBSA-N 1 3 224.270 2.046 20 0 BEADHO [NH3+]C[C@H]1CCN(CCCc2cccc(F)c2)C1 ZINC000348757858 136297103 /nfs/dbraw/zinc/29/71/03/136297103.db2.gz YTHULJPEYOBXPF-CYBMUJFWSA-N 1 3 236.334 2.039 20 0 BEADHO NC[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757858 136297104 /nfs/dbraw/zinc/29/71/04/136297104.db2.gz YTHULJPEYOBXPF-CYBMUJFWSA-N 1 3 236.334 2.039 20 0 BEADHO NC[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348757858 136297105 /nfs/dbraw/zinc/29/71/05/136297105.db2.gz YTHULJPEYOBXPF-CYBMUJFWSA-N 1 3 236.334 2.039 20 0 BEADHO CC(C)[NH+]1CCC(N[C@@H]2COC(C)(C)C2)CC1 ZINC000335656186 136376346 /nfs/dbraw/zinc/37/63/46/136376346.db2.gz JIFQJBDPOJTVQF-ZDUSSCGKSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)(C)CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000083987796 343512916 /nfs/dbraw/zinc/51/29/16/343512916.db2.gz JSEAHXSPSQCWPC-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000083987795 343513149 /nfs/dbraw/zinc/51/31/49/343513149.db2.gz FEFKKCCEPOQMMN-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CN(CC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000083839912 343504323 /nfs/dbraw/zinc/50/43/23/343504323.db2.gz BEEXTUSKVKEMSY-FUNVUKJBSA-N 1 3 208.349 2.001 20 0 BEADHO CCN1CCC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000379974361 365770631 /nfs/dbraw/zinc/77/06/31/365770631.db2.gz CTADPKYEGWMQNE-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]1C[N@H+](CCC2CCC2)CC[C@@H]1N ZINC000398751678 488223836 /nfs/dbraw/zinc/22/38/36/488223836.db2.gz BYSHWFOIHCZORA-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CCC2CCC2)CC[C@@H]1N ZINC000398751678 488223839 /nfs/dbraw/zinc/22/38/39/488223839.db2.gz BYSHWFOIHCZORA-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CN(CCC2CCC2)CC[C@@H]1[NH3+] ZINC000398751678 488223841 /nfs/dbraw/zinc/22/38/41/488223841.db2.gz BYSHWFOIHCZORA-OLZOCXBDSA-N 1 3 210.365 2.236 20 0 BEADHO Clc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC000059533411 343710044 /nfs/dbraw/zinc/71/00/44/343710044.db2.gz AFWVUTNKYIZBBH-UHFFFAOYSA-N 1 3 238.762 2.224 20 0 BEADHO Clc1cccc(CCNC2CC[NH2+]CC2)c1 ZINC000059533411 343710046 /nfs/dbraw/zinc/71/00/46/343710046.db2.gz AFWVUTNKYIZBBH-UHFFFAOYSA-N 1 3 238.762 2.224 20 0 BEADHO Cc1ccc2c(c1)[C@H](N[C@H](C)CCC[NH3+])CO2 ZINC000576458582 343750726 /nfs/dbraw/zinc/75/07/26/343750726.db2.gz OXVNPAIDJVDZPE-DGCLKSJQSA-N 1 3 234.343 2.146 20 0 BEADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336665063 537815956 /nfs/dbraw/zinc/81/59/56/537815956.db2.gz LKBNVBQAPVKWGX-ZIAGYGMSSA-N 1 3 222.376 2.273 20 0 BEADHO [NH3+]C1CCC(NCc2cccc(F)c2F)CC1 ZINC000111038909 537812589 /nfs/dbraw/zinc/81/25/89/537812589.db2.gz OEBYDJJOVHGFCY-UHFFFAOYSA-N 1 3 240.297 2.324 20 0 BEADHO CCN1CC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000336683338 537823942 /nfs/dbraw/zinc/82/39/42/537823942.db2.gz JWCCTHOVFKOZFR-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733440 344113285 /nfs/dbraw/zinc/11/32/85/344113285.db2.gz FYIFOVKNAVEJGV-IJLUTSLNSA-N 1 3 210.365 2.010 20 0 BEADHO CCC[C@@H](CNC[C@@H]1CC[N@@H+](C(C)C)C1)OC ZINC000395209461 362348079 /nfs/dbraw/zinc/34/80/79/362348079.db2.gz UYAVHCMSMASGMU-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@@H](CNC[C@@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209461 362348086 /nfs/dbraw/zinc/34/80/86/362348086.db2.gz UYAVHCMSMASGMU-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@@H]1CCN(C(C)C)C1)OC ZINC000395209461 362348088 /nfs/dbraw/zinc/34/80/88/362348088.db2.gz UYAVHCMSMASGMU-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C(CN(C1CC1)C1CC1)C[NH+]1CCCCC1 ZINC000625842602 344093566 /nfs/dbraw/zinc/09/35/66/344093566.db2.gz LEDNLCMLQFMQAD-UHFFFAOYSA-N 1 3 222.376 2.489 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000518359967 344210455 /nfs/dbraw/zinc/21/04/55/344210455.db2.gz IRDSJJJYIIWUEM-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000224434931 344480707 /nfs/dbraw/zinc/48/07/07/344480707.db2.gz JICUYKZJQAUSGO-RWMBFGLXSA-N 1 3 212.381 2.493 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625975925 344640268 /nfs/dbraw/zinc/64/02/68/344640268.db2.gz FRCUZDVTUIUZNZ-CRWXNKLISA-N 1 3 242.407 2.120 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625975925 344640270 /nfs/dbraw/zinc/64/02/70/344640270.db2.gz FRCUZDVTUIUZNZ-CRWXNKLISA-N 1 3 242.407 2.120 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CCC[C@H](CNC)C1 ZINC000049954056 344704503 /nfs/dbraw/zinc/70/45/03/344704503.db2.gz QMZLCKLSOMTUCN-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@H](C)C[N@H+]1CCC[C@H](CNC)C1 ZINC000049954056 344704504 /nfs/dbraw/zinc/70/45/04/344704504.db2.gz QMZLCKLSOMTUCN-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@H](C)CN1CCC[C@H](C[NH2+]C)C1 ZINC000049954056 344704507 /nfs/dbraw/zinc/70/45/07/344704507.db2.gz QMZLCKLSOMTUCN-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CC/C=C/CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000385094030 344884910 /nfs/dbraw/zinc/88/49/10/344884910.db2.gz YNIMPVSQMNCDLT-PYDIIWFVSA-N 1 3 222.376 2.463 20 0 BEADHO CC/C=C\CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000385094027 344885429 /nfs/dbraw/zinc/88/54/29/344885429.db2.gz YNIMPVSQMNCDLT-JXABGOGHSA-N 1 3 222.376 2.463 20 0 BEADHO CC(C)[C@H](C[NH3+])CN[C@@H]1CCc2cc(N)ccc21 ZINC000634996699 345191038 /nfs/dbraw/zinc/19/10/38/345191038.db2.gz QZRWXRZUGHGERL-IUODEOHRSA-N 1 3 247.386 2.077 20 0 BEADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000634996699 345191039 /nfs/dbraw/zinc/19/10/39/345191039.db2.gz QZRWXRZUGHGERL-IUODEOHRSA-N 1 3 247.386 2.077 20 0 BEADHO C([NH2+][C@@H]1C[C@H]1C1CCCCC1)C12CC(C1)CN2 ZINC000634996328 345187394 /nfs/dbraw/zinc/18/73/94/345187394.db2.gz HBOADTBGAQEHGI-PIBLMLOJSA-N 1 3 234.387 2.297 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc2cccnc2c1 ZINC000635024327 345224761 /nfs/dbraw/zinc/22/47/61/345224761.db2.gz WLOHBQLNPJQIOG-UONOGXRCSA-N 1 3 241.338 2.204 20 0 BEADHO CCOc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999847 345201297 /nfs/dbraw/zinc/20/12/97/345201297.db2.gz AQURBSVDWVUSQA-GXTWGEPZSA-N 1 3 248.370 2.112 20 0 BEADHO C[C@H](CC1CCC1)N[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001787 345201369 /nfs/dbraw/zinc/20/13/69/345201369.db2.gz FYULFGKGFONEHK-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004314 345207494 /nfs/dbraw/zinc/20/74/94/345207494.db2.gz OGBBHHGKVYFOSK-SDDRHHMPSA-N 1 3 208.349 2.036 20 0 BEADHO C[C@@H]([NH2+]CC[C@H](N)Cc1ccccc1)C1CC1 ZINC000635004665 345208774 /nfs/dbraw/zinc/20/87/74/345208774.db2.gz JWNZMHJFOVRCMR-DOMZBBRYSA-N 1 3 232.371 2.335 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc2[nH]ccc21 ZINC000635012535 345214368 /nfs/dbraw/zinc/21/43/68/345214368.db2.gz MVZNFCGCRSXKPD-BXUZGUMPSA-N 1 3 243.354 2.385 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012535 345214373 /nfs/dbraw/zinc/21/43/73/345214373.db2.gz MVZNFCGCRSXKPD-BXUZGUMPSA-N 1 3 243.354 2.385 20 0 BEADHO COC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000635009258 345216423 /nfs/dbraw/zinc/21/64/23/345216423.db2.gz GOGVGIBIIOSHNN-STQMWFEESA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C(C)C ZINC000635009258 345216427 /nfs/dbraw/zinc/21/64/27/345216427.db2.gz GOGVGIBIIOSHNN-STQMWFEESA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000635009257 345216724 /nfs/dbraw/zinc/21/67/24/345216724.db2.gz GOGVGIBIIOSHNN-QWHCGFSZSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C(C)C ZINC000635009257 345216727 /nfs/dbraw/zinc/21/67/27/345216727.db2.gz GOGVGIBIIOSHNN-QWHCGFSZSA-N 1 3 242.407 2.025 20 0 BEADHO CCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081636373 345488618 /nfs/dbraw/zinc/48/86/18/345488618.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636373 345488620 /nfs/dbraw/zinc/48/86/20/345488620.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000081636373 345488622 /nfs/dbraw/zinc/48/86/22/345488622.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CCC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000081636373 345488623 /nfs/dbraw/zinc/48/86/23/345488623.db2.gz AKYXCMLBQAYLRP-ZDUSSCGKSA-N 1 3 210.365 2.060 20 0 BEADHO CN(C)Cc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000033487574 345800735 /nfs/dbraw/zinc/80/07/35/345800735.db2.gz JAKLDDZIABVKEI-UHFFFAOYSA-N 1 3 216.328 2.125 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000381498343 346156902 /nfs/dbraw/zinc/15/69/02/346156902.db2.gz CEISMJMZVDSYLE-RFGFWPKPSA-N 1 3 224.392 2.351 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000577079242 365808011 /nfs/dbraw/zinc/80/80/11/365808011.db2.gz IVAAPRNUIIXZHS-QWRGUYRKSA-N 1 3 229.327 2.060 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000131504926 179034727 /nfs/dbraw/zinc/03/47/27/179034727.db2.gz PYSCRZKQBZUQDH-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000131504926 179034730 /nfs/dbraw/zinc/03/47/30/179034730.db2.gz PYSCRZKQBZUQDH-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422244 179035120 /nfs/dbraw/zinc/03/51/20/179035120.db2.gz CHZDBOHGPLXYHG-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000130891193 179035704 /nfs/dbraw/zinc/03/57/04/179035704.db2.gz CHZDBOHGPLXYHG-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](CN)C1 ZINC000122156783 179035757 /nfs/dbraw/zinc/03/57/57/179035757.db2.gz GIFUIRATGNARER-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](CN)C1 ZINC000122156783 179035759 /nfs/dbraw/zinc/03/57/59/179035759.db2.gz GIFUIRATGNARER-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@H](C[NH3+])C1 ZINC000122156783 179035761 /nfs/dbraw/zinc/03/57/61/179035761.db2.gz GIFUIRATGNARER-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000235814350 179036270 /nfs/dbraw/zinc/03/62/70/179036270.db2.gz NSGRAIDWUOTKNS-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@@](C)(CN)C1 ZINC000235814350 179036273 /nfs/dbraw/zinc/03/62/73/179036273.db2.gz NSGRAIDWUOTKNS-HNNXBMFYSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[NH2+]CC1(N)CCC1 ZINC000342088747 179036968 /nfs/dbraw/zinc/03/69/68/179036968.db2.gz AINVUJMSZOVGRG-UHFFFAOYSA-N 1 3 218.344 2.274 20 0 BEADHO CC[N@H+](CC(C)C)C[C@@H]1CCCCNC1 ZINC000669379130 537975488 /nfs/dbraw/zinc/97/54/88/537975488.db2.gz SXGIUQIZMWBNFK-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC[N@@H+](CC(C)C)C[C@@H]1CCCCNC1 ZINC000669379130 537975492 /nfs/dbraw/zinc/97/54/92/537975492.db2.gz SXGIUQIZMWBNFK-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1cccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000122344790 179084833 /nfs/dbraw/zinc/08/48/33/179084833.db2.gz UKQFXGDBFGXMLS-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](CN)C[C@@H]2C)c1 ZINC000122344790 179084835 /nfs/dbraw/zinc/08/48/35/179084835.db2.gz UKQFXGDBFGXMLS-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)c1 ZINC000122344790 179084838 /nfs/dbraw/zinc/08/48/38/179084838.db2.gz UKQFXGDBFGXMLS-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1C ZINC000194535751 179083711 /nfs/dbraw/zinc/08/37/11/179083711.db2.gz FHPLXOWOEVUXCI-IYBDPMFKSA-N 1 3 244.382 2.297 20 0 BEADHO Cc1cccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1C ZINC000194535751 179083714 /nfs/dbraw/zinc/08/37/14/179083714.db2.gz FHPLXOWOEVUXCI-IYBDPMFKSA-N 1 3 244.382 2.297 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCc1ccsc1 ZINC000641800641 362751713 /nfs/dbraw/zinc/75/17/13/362751713.db2.gz CETAEZWAUMSPCU-NEPJUHHUSA-N 1 3 238.400 2.396 20 0 BEADHO CCNCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000580181436 346617030 /nfs/dbraw/zinc/61/70/30/346617030.db2.gz XGMWYVRTKHXQTA-UHFFFAOYSA-N 1 3 234.334 2.400 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CCC1 ZINC000178243730 346662989 /nfs/dbraw/zinc/66/29/89/346662989.db2.gz PCIZFYCSEUEDIC-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)N(CCC[NH3+])Cc1cccc(F)c1 ZINC000036883458 346669313 /nfs/dbraw/zinc/66/93/13/346669313.db2.gz SEVRJVDTDRRAOJ-UHFFFAOYSA-N 1 3 224.323 2.385 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000378669432 346803926 /nfs/dbraw/zinc/80/39/26/346803926.db2.gz IVJMFMAPYMNJAY-MJBXVCDLSA-N 1 3 220.360 2.027 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000388007558 347151811 /nfs/dbraw/zinc/15/18/11/347151811.db2.gz NAYDPHXIWLRMBS-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1C[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000388007559 347152083 /nfs/dbraw/zinc/15/20/83/347152083.db2.gz NAYDPHXIWLRMBS-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)[C@@H](C)C1 ZINC000252100166 133648721 /nfs/dbraw/zinc/64/87/21/133648721.db2.gz IGYZBENVAABSJN-RFGFWPKPSA-N 1 3 224.392 2.400 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](c2cccnc2)C2CC2)C1 ZINC000581143658 347220977 /nfs/dbraw/zinc/22/09/77/347220977.db2.gz XLGILDHLVTYSNR-RBSFLKMASA-N 1 3 245.370 2.392 20 0 BEADHO FC1(CNCCCCC[NH+]2CCCC2)CC1 ZINC000382144001 347399685 /nfs/dbraw/zinc/39/96/85/347399685.db2.gz NJXXKIFOGSZWKG-UHFFFAOYSA-N 1 3 228.355 2.344 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000319487585 259396389 /nfs/dbraw/zinc/39/63/89/259396389.db2.gz GWCWRXMCIJWVGW-AVGNSLFASA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccccc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000129309014 179267469 /nfs/dbraw/zinc/26/74/69/179267469.db2.gz QMFSSZPPLOSEOF-OAHLLOKOSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H]1CCCNCC1 ZINC000129309014 179267470 /nfs/dbraw/zinc/26/74/70/179267470.db2.gz QMFSSZPPLOSEOF-OAHLLOKOSA-N 1 3 232.371 2.269 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)CN ZINC000309396111 179288198 /nfs/dbraw/zinc/28/81/98/179288198.db2.gz UMINDUQADLDYRK-DGCLKSJQSA-N 1 3 220.360 2.110 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)C2CC2)C1 ZINC000151137390 192371168 /nfs/dbraw/zinc/37/11/68/192371168.db2.gz ZWAFCOFRNMHMNP-JSGCOSHPSA-N 1 3 224.392 2.497 20 0 BEADHO CSCCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507812 348265000 /nfs/dbraw/zinc/26/50/00/348265000.db2.gz RGWAJMUGHTWVDK-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO CSCCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507812 348265001 /nfs/dbraw/zinc/26/50/01/348265001.db2.gz RGWAJMUGHTWVDK-CYBMUJFWSA-N 1 3 242.432 2.157 20 0 BEADHO C1C(N[C@H]2CCSC2)CC1[NH+]1CCCCC1 ZINC000335606480 187393399 /nfs/dbraw/zinc/39/33/99/187393399.db2.gz OJRBAEIGIBJNGG-HIFPTAJRSA-N 1 3 240.416 2.098 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCS1 ZINC000128074370 187395609 /nfs/dbraw/zinc/39/56/09/187395609.db2.gz RUXARMORPGJVPC-XQQFMLRXSA-N 1 3 240.416 2.098 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCS1 ZINC000128074370 187395611 /nfs/dbraw/zinc/39/56/11/187395611.db2.gz RUXARMORPGJVPC-XQQFMLRXSA-N 1 3 240.416 2.098 20 0 BEADHO CCSC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000596653180 348606906 /nfs/dbraw/zinc/60/69/06/348606906.db2.gz SCVZHXYLOQSKMT-FOSCPWQOSA-N 1 3 240.416 2.145 20 0 BEADHO CCC(CC)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000250372699 535083587 /nfs/dbraw/zinc/08/35/87/535083587.db2.gz AMBGMZFHRRFJPT-STQMWFEESA-N 1 3 210.365 2.391 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)CC)C1 ZINC000248375589 349126890 /nfs/dbraw/zinc/12/68/90/349126890.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)CC)C1 ZINC000248375589 349126893 /nfs/dbraw/zinc/12/68/93/349126893.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN([C@H](C)CC)C1 ZINC000248375589 349126897 /nfs/dbraw/zinc/12/68/97/349126897.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)CC)C1 ZINC000248375589 349126900 /nfs/dbraw/zinc/12/69/00/349126900.db2.gz XFYATVOPTXIIJU-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC(C)(C)CCC[N@@H+]1CCC[C@@H](CN)C1 ZINC000300835216 349357656 /nfs/dbraw/zinc/35/76/56/349357656.db2.gz ILTZZZLQAAWTPN-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CCC[N@H+]1CCC[C@@H](CN)C1 ZINC000300835216 349357659 /nfs/dbraw/zinc/35/76/59/349357659.db2.gz ILTZZZLQAAWTPN-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)CCCN1CCC[C@@H](C[NH3+])C1 ZINC000300835216 349357662 /nfs/dbraw/zinc/35/76/62/349357662.db2.gz ILTZZZLQAAWTPN-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]([NH2+]CCCN(CC)CC)[C@@H]1CCOC1 ZINC000131453659 191014217 /nfs/dbraw/zinc/01/42/17/191014217.db2.gz NNVUWGQZUIUAIU-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC(CC)[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422700754 192434356 /nfs/dbraw/zinc/43/43/56/192434356.db2.gz ANCRXIVQAYBNEK-MGPQQGTHSA-N 1 3 242.407 2.033 20 0 BEADHO CC(C(=O)Nc1ccc(C[NH3+])cc1)C(F)(F)F ZINC000427312572 191058477 /nfs/dbraw/zinc/05/84/77/191058477.db2.gz GOAPVRPPDAELQD-SSDOTTSWSA-N 1 3 246.232 2.282 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)CN1CCCC1 ZINC000083402361 350196464 /nfs/dbraw/zinc/19/64/64/350196464.db2.gz WMRXFPXICXMAJT-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(OCCN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422757438 192456016 /nfs/dbraw/zinc/45/60/16/192456016.db2.gz MUBCAQRKROLPJD-HIFRSBDPSA-N 1 3 248.370 2.091 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000309339126 350322834 /nfs/dbraw/zinc/32/28/34/350322834.db2.gz KHUMXFONCCFESO-NQBHXWOUSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309339126 350322836 /nfs/dbraw/zinc/32/28/36/350322836.db2.gz KHUMXFONCCFESO-NQBHXWOUSA-N 1 3 238.400 2.267 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538165 362956940 /nfs/dbraw/zinc/95/69/40/362956940.db2.gz YZOKCZUGVQIUDG-ZHRWSRJISA-N 1 3 210.365 2.415 20 0 BEADHO CC/C=C\CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538165 362956945 /nfs/dbraw/zinc/95/69/45/362956945.db2.gz YZOKCZUGVQIUDG-ZHRWSRJISA-N 1 3 210.365 2.415 20 0 BEADHO C[C@@]1(CN)CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300802355 490568974 /nfs/dbraw/zinc/56/89/74/490568974.db2.gz DCTPNDQNNGXZQK-QWRGUYRKSA-N 1 3 232.318 2.093 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300802355 490568977 /nfs/dbraw/zinc/56/89/77/490568977.db2.gz DCTPNDQNNGXZQK-QWRGUYRKSA-N 1 3 232.318 2.093 20 0 BEADHO CC[C@@H](CNCCC[NH2+]C)c1ccccc1 ZINC000163308242 350516950 /nfs/dbraw/zinc/51/69/50/350516950.db2.gz FQTZHEVQVMLYAP-ZDUSSCGKSA-N 1 3 220.360 2.379 20 0 BEADHO CC[C@@H](C[NH2+]CCCNC)c1ccccc1 ZINC000163308242 350516954 /nfs/dbraw/zinc/51/69/54/350516954.db2.gz FQTZHEVQVMLYAP-ZDUSSCGKSA-N 1 3 220.360 2.379 20 0 BEADHO CC[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000060720697 350499047 /nfs/dbraw/zinc/49/90/47/350499047.db2.gz NNLSWNZYQXHCHB-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1CCN(CCC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000577481857 365964210 /nfs/dbraw/zinc/96/42/10/365964210.db2.gz GGONNHQUKJXBBT-FRRDWIJNSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)O1 ZINC000623545187 362964941 /nfs/dbraw/zinc/96/49/41/362964941.db2.gz AAXAGOUQTLARPD-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)O1 ZINC000623545187 362964944 /nfs/dbraw/zinc/96/49/44/362964944.db2.gz AAXAGOUQTLARPD-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[C@H]([NH3+])CCNCc1cccs1 ZINC000129218480 490609126 /nfs/dbraw/zinc/60/91/26/490609126.db2.gz QQSJLUMPMGLOOU-LLVKDONJSA-N 1 3 212.362 2.211 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccccc1C ZINC000231443683 350624478 /nfs/dbraw/zinc/62/44/78/350624478.db2.gz ARGMJVRECRQJAU-RYUDHWBXSA-N 1 3 206.333 2.383 20 0 BEADHO C/C=C\CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000623739078 350883353 /nfs/dbraw/zinc/88/33/53/350883353.db2.gz HRYOVOWNFOZSSD-PLNGDYQASA-N 1 3 248.370 2.293 20 0 BEADHO CCCC[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336691297 350984186 /nfs/dbraw/zinc/98/41/86/350984186.db2.gz PSFRJFLOSHKMGP-NEPJUHHUSA-N 1 3 200.370 2.352 20 0 BEADHO CCCC[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336691300 350984208 /nfs/dbraw/zinc/98/42/08/350984208.db2.gz PSFRJFLOSHKMGP-RYUDHWBXSA-N 1 3 200.370 2.352 20 0 BEADHO CSCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086501073 351165565 /nfs/dbraw/zinc/16/55/65/351165565.db2.gz KDGUJAZBECZYMI-NWDGAFQWSA-N 1 3 230.421 2.250 20 0 BEADHO Cc1ccc(C[NH2+]CC2(N)CCC2)s1 ZINC000088052075 351540460 /nfs/dbraw/zinc/54/04/60/351540460.db2.gz JMVLFIYCDCCXHG-UHFFFAOYSA-N 1 3 210.346 2.028 20 0 BEADHO CCOc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414792643 351771986 /nfs/dbraw/zinc/77/19/86/351771986.db2.gz JERIWOHEYXIKJZ-ZFWWWQNUSA-N 1 3 248.370 2.302 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]CC1(N)CCCCC1 ZINC000414847528 351856348 /nfs/dbraw/zinc/85/63/48/351856348.db2.gz VDBTYYLZVNUTNZ-CYBMUJFWSA-N 1 3 242.407 2.299 20 0 BEADHO COC[C@@H](CC(C)C)NCC1([NH3+])CCCCC1 ZINC000414847528 351856350 /nfs/dbraw/zinc/85/63/50/351856350.db2.gz VDBTYYLZVNUTNZ-CYBMUJFWSA-N 1 3 242.407 2.299 20 0 BEADHO CC[C@H](C)[C@@H](C[NH2+]CCCN(C)C(C)C)OC ZINC000638337034 352155445 /nfs/dbraw/zinc/15/54/45/352155445.db2.gz BOUGLVCJNMSXDN-UONOGXRCSA-N 1 3 244.423 2.367 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CN1CCCC1 ZINC000638387825 352197121 /nfs/dbraw/zinc/19/71/21/352197121.db2.gz YGIPMPIYUAXIQF-XQLPTFJDSA-N 1 3 236.403 2.354 20 0 BEADHO CCC[C@H](CNC[C@@H]1CC[N@H+](CCC)C1)OC ZINC000638410037 352217526 /nfs/dbraw/zinc/21/75/26/352217526.db2.gz TYLJAJMWWOJSKD-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@@H]1CC[N@@H+](CCC)C1)OC ZINC000638410037 352217528 /nfs/dbraw/zinc/21/75/28/352217528.db2.gz TYLJAJMWWOJSKD-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](C[NH2+]C[C@@H]1CCN(CCC)C1)OC ZINC000638410037 352217531 /nfs/dbraw/zinc/21/75/31/352217531.db2.gz TYLJAJMWWOJSKD-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CCCC[C@@H]1OC ZINC000037211030 358470343 /nfs/dbraw/zinc/47/03/43/358470343.db2.gz MFJYQWWYRRLRNP-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000037211030 358470348 /nfs/dbraw/zinc/47/03/48/358470348.db2.gz MFJYQWWYRRLRNP-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1cccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000044535124 352351562 /nfs/dbraw/zinc/35/15/62/352351562.db2.gz SROFFZXXOCXQIP-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1cccc(CNC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000044535124 352351565 /nfs/dbraw/zinc/35/15/65/352351565.db2.gz SROFFZXXOCXQIP-HNNXBMFYSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000415011575 352546706 /nfs/dbraw/zinc/54/67/06/352546706.db2.gz QSYFVPQXSFYGIO-RYUDHWBXSA-N 1 3 206.333 2.129 20 0 BEADHO Cc1ccc2cc(C[NH2+][C@@H](C)[C@@H](C)N)ccc2n1 ZINC000415014128 352550586 /nfs/dbraw/zinc/55/05/86/352550586.db2.gz LHZQWYKCAWJLGW-NEPJUHHUSA-N 1 3 243.354 2.369 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)CCN1 ZINC000235407631 187789153 /nfs/dbraw/zinc/78/91/53/187789153.db2.gz NYPFZJFPGKJMLM-YPMHNXCESA-N 1 3 210.365 2.439 20 0 BEADHO COC1([C@@H](C)[NH2+]CCCN2CCCC2)CCC1 ZINC000412024889 191239967 /nfs/dbraw/zinc/23/99/67/191239967.db2.gz ONJVKWBMXIVWJR-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO COC1([C@@H](C)NCCC[NH+]2CCCC2)CCC1 ZINC000412024889 191239970 /nfs/dbraw/zinc/23/99/70/191239970.db2.gz ONJVKWBMXIVWJR-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)([NH3+])CN1CCCC2(CCCC2)C1 ZINC000261582003 535198606 /nfs/dbraw/zinc/19/86/06/535198606.db2.gz NXRSFUFXMMVTEB-UHFFFAOYSA-N 1 3 210.365 2.380 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCN ZINC000308851067 188165049 /nfs/dbraw/zinc/16/50/49/188165049.db2.gz RGWMNOWTMHRVHI-RYUDHWBXSA-N 1 3 200.370 2.386 20 0 BEADHO c1coc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250069967 353267442 /nfs/dbraw/zinc/26/74/42/353267442.db2.gz ACTOBCLKHMPQNO-RRFJBIMHSA-N 1 3 248.370 2.332 20 0 BEADHO C[C@H](Cc1ccsc1)NCCC[NH+](C)C ZINC000122115430 324029040 /nfs/dbraw/zinc/02/90/40/324029040.db2.gz ZANSPWJRRKDQNH-LLVKDONJSA-N 1 3 226.389 2.220 20 0 BEADHO N[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)C1CC1 ZINC000571669588 353493162 /nfs/dbraw/zinc/49/31/62/353493162.db2.gz CJPZVXGRNMJDAK-GJZGRUSLSA-N 1 3 245.370 2.250 20 0 BEADHO CCC[C@@H](C[N@H+](C)CCCN1CCCC1)OC ZINC000639132482 353841724 /nfs/dbraw/zinc/84/17/24/353841724.db2.gz OXMHJDXAIAXNLM-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CCC[C@@H](C[N@@H+](C)CCCN1CCCC1)OC ZINC000639132482 353841727 /nfs/dbraw/zinc/84/17/27/353841727.db2.gz OXMHJDXAIAXNLM-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170765 354125550 /nfs/dbraw/zinc/12/55/50/354125550.db2.gz XOMWPJIQSGXCFW-SDDRHHMPSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170765 354125553 /nfs/dbraw/zinc/12/55/53/354125553.db2.gz XOMWPJIQSGXCFW-SDDRHHMPSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170765 354125557 /nfs/dbraw/zinc/12/55/57/354125557.db2.gz XOMWPJIQSGXCFW-SDDRHHMPSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170764 354126036 /nfs/dbraw/zinc/12/60/36/354126036.db2.gz XOMWPJIQSGXCFW-QJPTWQEYSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170764 354126039 /nfs/dbraw/zinc/12/60/39/354126039.db2.gz XOMWPJIQSGXCFW-QJPTWQEYSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC2(F)F)C1 ZINC000639170764 354126043 /nfs/dbraw/zinc/12/60/43/354126043.db2.gz XOMWPJIQSGXCFW-QJPTWQEYSA-N 1 3 246.345 2.350 20 0 BEADHO CC[C@H](C)[C@@H](CN(CC)CCC[NH+](C)C)OC ZINC000639175025 354190572 /nfs/dbraw/zinc/19/05/72/354190572.db2.gz GNOBGTUDKUDURI-UONOGXRCSA-N 1 3 244.423 2.321 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@](C)(OC)C1CC1 ZINC000639175765 354206107 /nfs/dbraw/zinc/20/61/07/354206107.db2.gz PSJJBXCHWBLLDR-AWEZNQCLSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](CCC1CC1)C[C@H]1CCCNC1 ZINC000233466787 363403854 /nfs/dbraw/zinc/40/38/54/363403854.db2.gz PVOONYAXBSNEBW-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@@H+](CCC1CC1)C[C@H]1CCCNC1 ZINC000233466787 363403857 /nfs/dbraw/zinc/40/38/57/363403857.db2.gz PVOONYAXBSNEBW-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C1CNC1 ZINC000335145917 354856193 /nfs/dbraw/zinc/85/61/93/354856193.db2.gz JRYBAXWVULJNIO-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C1CCc2ccccc2CC1)C1CNC1 ZINC000335174929 354942368 /nfs/dbraw/zinc/94/23/68/354942368.db2.gz DAOLBWWACMJQNG-LBPRGKRZSA-N 1 3 244.382 2.132 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCCO1 ZINC000346559518 354968482 /nfs/dbraw/zinc/96/84/82/354968482.db2.gz OOEUZKWYGZFRKV-RFQIPJPRSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000346559518 354968484 /nfs/dbraw/zinc/96/84/84/354968484.db2.gz OOEUZKWYGZFRKV-RFQIPJPRSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000335204524 355039852 /nfs/dbraw/zinc/03/98/52/355039852.db2.gz NZPLRDGYJWCREB-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000335204524 355039853 /nfs/dbraw/zinc/03/98/53/355039853.db2.gz NZPLRDGYJWCREB-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@@H](N)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000335229455 355071881 /nfs/dbraw/zinc/07/18/81/355071881.db2.gz FGOHWTAKSAVABB-ZYHUDNBSSA-N 1 3 238.762 2.477 20 0 BEADHO C[C@@H](N)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000335229455 355071883 /nfs/dbraw/zinc/07/18/83/355071883.db2.gz FGOHWTAKSAVABB-ZYHUDNBSSA-N 1 3 238.762 2.477 20 0 BEADHO Fc1ccc2c(c1)CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000335238308 355100175 /nfs/dbraw/zinc/10/01/75/355100175.db2.gz FKNFGLQBQZRWEX-LBPRGKRZSA-N 1 3 248.345 2.183 20 0 BEADHO C[C@@H]1Cc2ccccc2CN1C[C@@H]1CCC[NH2+]C1 ZINC000346975497 355209324 /nfs/dbraw/zinc/20/93/24/355209324.db2.gz JEOZXBLISFPACL-ZIAGYGMSSA-N 1 3 244.382 2.433 20 0 BEADHO CC[C@@]1(C)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346977890 355211738 /nfs/dbraw/zinc/21/17/38/355211738.db2.gz NECZOWBPQOIPNF-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@]1(C)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346977890 355211741 /nfs/dbraw/zinc/21/17/41/355211741.db2.gz NECZOWBPQOIPNF-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000347012158 355204841 /nfs/dbraw/zinc/20/48/41/355204841.db2.gz UUSFBSJTNKRNJK-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC000347012158 355204842 /nfs/dbraw/zinc/20/48/42/355204842.db2.gz UUSFBSJTNKRNJK-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000347012158 355204846 /nfs/dbraw/zinc/20/48/46/355204846.db2.gz UUSFBSJTNKRNJK-CHWSQXEVSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000347012160 355205175 /nfs/dbraw/zinc/20/51/75/355205175.db2.gz UUSFBSJTNKRNJK-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@H](C)[N@H+](C)C[C@@H]1CCCNC1 ZINC000347012160 355205176 /nfs/dbraw/zinc/20/51/76/355205176.db2.gz UUSFBSJTNKRNJK-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@H](C)[N@@H+](C)C[C@@H]1CCCNC1 ZINC000347012160 355205178 /nfs/dbraw/zinc/20/51/78/355205178.db2.gz UUSFBSJTNKRNJK-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H](CCc1ccccc1)CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021654 191655824 /nfs/dbraw/zinc/65/58/24/191655824.db2.gz CHUUTTVOLYCEQR-ARLBYUKCSA-N 1 3 244.382 2.063 20 0 BEADHO CCOc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216029096 355798291 /nfs/dbraw/zinc/79/82/91/355798291.db2.gz WGAVVGBFHSRTLX-GXTWGEPZSA-N 1 3 248.370 2.254 20 0 BEADHO CCOc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000536598778 355842896 /nfs/dbraw/zinc/84/28/96/355842896.db2.gz JIAHLIPXGAWYGY-UHFFFAOYSA-N 1 3 248.370 2.271 20 0 BEADHO C[C@H](F)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000351882135 356120580 /nfs/dbraw/zinc/12/05/80/356120580.db2.gz PAWWWSODHUGBPX-XQQFMLRXSA-N 1 3 228.355 2.151 20 0 BEADHO C[C@H](F)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000351882135 356120583 /nfs/dbraw/zinc/12/05/83/356120583.db2.gz PAWWWSODHUGBPX-XQQFMLRXSA-N 1 3 228.355 2.151 20 0 BEADHO CCc1ccc(CCN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000351861574 356099172 /nfs/dbraw/zinc/09/91/72/356099172.db2.gz KRIDWAGZXOIVOM-CJNGLKHVSA-N 1 3 246.398 2.461 20 0 BEADHO Cc1ccc(CCN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000351861982 356099775 /nfs/dbraw/zinc/09/97/75/356099775.db2.gz MRYFCJPGDDJQNY-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO C[NH2+]C[C@@H](C)CNc1ccnc2ccc(C)cc21 ZINC000420217903 192193695 /nfs/dbraw/zinc/19/36/95/192193695.db2.gz XUFBIKQGJNSTGO-GFCCVEGCSA-N 1 3 243.354 2.233 20 0 BEADHO CCc1ccccc1C[NH2+]CC1(N)CCC1 ZINC000420299994 192206257 /nfs/dbraw/zinc/20/62/57/192206257.db2.gz CAXWZRRHHNLCDM-UHFFFAOYSA-N 1 3 218.344 2.220 20 0 BEADHO CN(CCCCC(F)(F)F)C1CC[NH2+]CC1 ZINC000420273940 192197349 /nfs/dbraw/zinc/19/73/49/192197349.db2.gz NZGYSXSDWYHMLV-UHFFFAOYSA-N 1 3 238.297 2.403 20 0 BEADHO COCCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC1 ZINC000422884479 192497597 /nfs/dbraw/zinc/49/75/97/192497597.db2.gz DXKFNOUQVREURF-OLZOCXBDSA-N 1 3 242.407 2.299 20 0 BEADHO CN(CCCc1cccc(F)c1)C1CC([NH3+])C1 ZINC000420329986 192215037 /nfs/dbraw/zinc/21/50/37/192215037.db2.gz KRCXWNYOVJRYRF-UHFFFAOYSA-N 1 3 236.334 2.180 20 0 BEADHO CCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351729 192218397 /nfs/dbraw/zinc/21/83/97/192218397.db2.gz AFUMPMNYLJTOKZ-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO [NH3+]C1(CNCCCc2ccsc2)CCC1 ZINC000420308673 192210627 /nfs/dbraw/zinc/21/06/27/192210627.db2.gz NRUOPEXEXRFATP-UHFFFAOYSA-N 1 3 224.373 2.152 20 0 BEADHO CCc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420311393 192211084 /nfs/dbraw/zinc/21/10/84/192211084.db2.gz RBDVXMNDVUEMCZ-JYJNAYRXSA-N 1 3 244.382 2.418 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000420312232 192211206 /nfs/dbraw/zinc/21/12/06/192211206.db2.gz RYRRBPFRLOPQTK-VHSXEESVSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@]1(C[NH3+])CCN(CCCc2ccsc2)C1 ZINC000420313353 192212187 /nfs/dbraw/zinc/21/21/87/192212187.db2.gz JLUOTOKKOYJSRR-CYBMUJFWSA-N 1 3 238.400 2.351 20 0 BEADHO C[C@]1(CN)CC[N@H+](CCCc2ccsc2)C1 ZINC000420313353 192212188 /nfs/dbraw/zinc/21/21/88/192212188.db2.gz JLUOTOKKOYJSRR-CYBMUJFWSA-N 1 3 238.400 2.351 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CCCc2ccsc2)C1 ZINC000420313353 192212190 /nfs/dbraw/zinc/21/21/90/192212190.db2.gz JLUOTOKKOYJSRR-CYBMUJFWSA-N 1 3 238.400 2.351 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000420372128 192230006 /nfs/dbraw/zinc/23/00/06/192230006.db2.gz LCYIHQYKIQHGBT-BDAKNGLRSA-N 1 3 212.724 2.338 20 0 BEADHO C[C@H]1[C@@H](N)CC[N@@H+]1CCCc1cccc(F)c1 ZINC000420361556 192222429 /nfs/dbraw/zinc/22/24/29/192222429.db2.gz YJPIRVYQNGZFQO-FZMZJTMJSA-N 1 3 236.334 2.180 20 0 BEADHO C[C@H]1[C@@H](N)CC[N@H+]1CCCc1cccc(F)c1 ZINC000420361556 192222432 /nfs/dbraw/zinc/22/24/32/192222432.db2.gz YJPIRVYQNGZFQO-FZMZJTMJSA-N 1 3 236.334 2.180 20 0 BEADHO [NH3+]CCCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000420410996 192239875 /nfs/dbraw/zinc/23/98/75/192239875.db2.gz RNOONDRPFTYVAV-ZFWWWQNUSA-N 1 3 248.370 2.093 20 0 BEADHO C[C@@H](NC[C@H](C)[NH3+])[C@@H](C)c1ccccc1 ZINC000420417327 192241304 /nfs/dbraw/zinc/24/13/04/192241304.db2.gz WJVMFVFYXCDKBC-QJPTWQEYSA-N 1 3 206.333 2.115 20 0 BEADHO CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000336161041 134111077 /nfs/dbraw/zinc/11/10/77/134111077.db2.gz WLWZSFHMBIIMIK-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000336161041 134111078 /nfs/dbraw/zinc/11/10/78/134111078.db2.gz WLWZSFHMBIIMIK-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)C1CNC1 ZINC000423074915 192559537 /nfs/dbraw/zinc/55/95/37/192559537.db2.gz NDUVVVJKIMZCRQ-RKDXNWHRSA-N 1 3 238.297 2.305 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC1(Cc2ccccc2)CC1 ZINC000423054745 192552590 /nfs/dbraw/zinc/55/25/90/192552590.db2.gz UYADGWXOSJXTNY-QWHCGFSZSA-N 1 3 232.371 2.477 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1(Cc2ccccc2)CC1 ZINC000423054745 192552593 /nfs/dbraw/zinc/55/25/93/192552593.db2.gz UYADGWXOSJXTNY-QWHCGFSZSA-N 1 3 232.371 2.477 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423096039 192566104 /nfs/dbraw/zinc/56/61/04/192566104.db2.gz NVADBMZYXOFBKB-AEJSXWLSSA-N 1 3 220.307 2.137 20 0 BEADHO Cc1cccc(CCC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000423100155 192568096 /nfs/dbraw/zinc/56/80/96/192568096.db2.gz GJVIGPILYRZDQH-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423128848 192577902 /nfs/dbraw/zinc/57/79/02/192577902.db2.gz QPHLZRDGNNHDBT-IKOXMDCHSA-N 1 3 240.366 2.387 20 0 BEADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCC1 ZINC000392298126 259469359 /nfs/dbraw/zinc/46/93/59/259469359.db2.gz WSKCBDORHRKEHA-CQSZACIVSA-N 1 3 222.376 2.417 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000578185296 366367581 /nfs/dbraw/zinc/36/75/81/366367581.db2.gz YCPYTFOHHZHZDG-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000578185295 366367843 /nfs/dbraw/zinc/36/78/43/366367843.db2.gz YCPYTFOHHZHZDG-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1(C2CCC2)CCC1 ZINC000423171899 192607723 /nfs/dbraw/zinc/60/77/23/192607723.db2.gz QLJWRPNINDHQGD-WDEREUQCSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCCNC2)C1 ZINC000257786746 538765204 /nfs/dbraw/zinc/76/52/04/538765204.db2.gz MJNAFIYCSVUAGF-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCCNC2)C1 ZINC000257786746 538765209 /nfs/dbraw/zinc/76/52/09/538765209.db2.gz MJNAFIYCSVUAGF-HZSPNIEDSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423271209 192664304 /nfs/dbraw/zinc/66/43/04/192664304.db2.gz IRXOIACKTSVQIU-XJKSGUPXSA-N 1 3 246.398 2.453 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000628425709 357253060 /nfs/dbraw/zinc/25/30/60/357253060.db2.gz SNBGIOCXBXMITM-LJISPDSOSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H](NC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000582480735 357316521 /nfs/dbraw/zinc/31/65/21/357316521.db2.gz SPPVTESGEFCQHW-HKUMRIAESA-N 1 3 240.391 2.063 20 0 BEADHO CCCC[C@@H](COC)[NH2+]CCCN1CCCC1 ZINC000178413572 535358437 /nfs/dbraw/zinc/35/84/37/535358437.db2.gz HBFVHMOMVBEVIR-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO CCCC[C@@H](COC)NCCC[NH+]1CCCC1 ZINC000178413572 535358438 /nfs/dbraw/zinc/35/84/38/535358438.db2.gz HBFVHMOMVBEVIR-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO Cc1cc(C[NH2+][C@@H](C)[C@H](C)N)c(C)s1 ZINC000582952023 357444042 /nfs/dbraw/zinc/44/40/42/357444042.db2.gz BPWDKRUKRKFMDT-IUCAKERBSA-N 1 3 212.362 2.190 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC(F)(F)F ZINC000063099444 357526142 /nfs/dbraw/zinc/52/61/42/357526142.db2.gz SFDKIKCLOXLEAA-OPRDCNLKSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC(F)(F)F ZINC000063099444 357526147 /nfs/dbraw/zinc/52/61/47/357526147.db2.gz SFDKIKCLOXLEAA-OPRDCNLKSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H](C[NH2+]C1CC(C)C1)CN1CCCCC1 ZINC000231787580 357628740 /nfs/dbraw/zinc/62/87/40/357628740.db2.gz NWNVOWWEYIJPRR-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000583812564 357959857 /nfs/dbraw/zinc/95/98/57/357959857.db2.gz KXEAUNGGIIBUBD-QJPTWQEYSA-N 1 3 200.370 2.384 20 0 BEADHO CN(C)CCOCC[NH2+][C@@H]1CCCCC1(C)C ZINC000219324046 357995568 /nfs/dbraw/zinc/99/55/68/357995568.db2.gz WDICCVKZICRGPE-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000584479861 357996627 /nfs/dbraw/zinc/99/66/27/357996627.db2.gz KAGOQDYEWBIYRC-CRWXNKLISA-N 1 3 222.376 2.282 20 0 BEADHO C1=CC[C@H](C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000168744023 134247540 /nfs/dbraw/zinc/24/75/40/134247540.db2.gz BTKCCUPQEKDWJO-QWHCGFSZSA-N 1 3 208.349 2.074 20 0 BEADHO CCc1ccc(C[NH2+]C[C@H](N)CC)s1 ZINC000225379832 358240097 /nfs/dbraw/zinc/24/00/97/358240097.db2.gz JNZVUXBWECYAKE-SECBINFHSA-N 1 3 212.362 2.137 20 0 BEADHO CCc1ccc(C[NH2+]CC(C)(C)N)s1 ZINC000225372487 358240581 /nfs/dbraw/zinc/24/05/81/358240581.db2.gz VCNPEPLQGKYUOB-UHFFFAOYSA-N 1 3 212.362 2.137 20 0 BEADHO CC(C)C[C@@H](N)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000578206655 366391169 /nfs/dbraw/zinc/39/11/69/366391169.db2.gz ZWOFAOMDHGHHLS-HIFRSBDPSA-N 1 3 247.386 2.219 20 0 BEADHO C([C@H]1CCCNC1)[N@H+](C1CC1)C1CCCC1 ZINC000226435597 358339818 /nfs/dbraw/zinc/33/98/18/358339818.db2.gz FNJZHTOBJFDSGU-LBPRGKRZSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+](C1CC1)C1CCCC1 ZINC000226435597 358339821 /nfs/dbraw/zinc/33/98/21/358339821.db2.gz FNJZHTOBJFDSGU-LBPRGKRZSA-N 1 3 222.376 2.393 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000173887053 134278626 /nfs/dbraw/zinc/27/86/26/134278626.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000173887053 134278627 /nfs/dbraw/zinc/27/86/27/134278627.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CC2CCC2)C1 ZINC000173887053 134278628 /nfs/dbraw/zinc/27/86/28/134278628.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CC2CCC2)C1 ZINC000173887053 134278629 /nfs/dbraw/zinc/27/86/29/134278629.db2.gz SKOCIVBENXPSCT-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO COc1ccccc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000230285263 358396651 /nfs/dbraw/zinc/39/66/51/358396651.db2.gz BCBHWHHXBKJTFL-UONOGXRCSA-N 1 3 248.370 2.097 20 0 BEADHO COc1ccccc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000230285263 358396655 /nfs/dbraw/zinc/39/66/55/358396655.db2.gz BCBHWHHXBKJTFL-UONOGXRCSA-N 1 3 248.370 2.097 20 0 BEADHO CCCCOCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000229340586 358402167 /nfs/dbraw/zinc/40/21/67/358402167.db2.gz PNUZTXRHIOIFCZ-QWHCGFSZSA-N 1 3 228.380 2.053 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCc1ccccc1 ZINC000131486387 358678600 /nfs/dbraw/zinc/67/86/00/358678600.db2.gz AOEROUQKYHJYKH-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCc1ccccc1 ZINC000131486387 358678604 /nfs/dbraw/zinc/67/86/04/358678604.db2.gz AOEROUQKYHJYKH-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCc1ccccc1 ZINC000131486164 358678694 /nfs/dbraw/zinc/67/86/94/358678694.db2.gz AOEROUQKYHJYKH-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCc1ccccc1 ZINC000131486164 358678697 /nfs/dbraw/zinc/67/86/97/358678697.db2.gz AOEROUQKYHJYKH-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO CN1CCCC[C@@H]1CC[N@H+](C)CCCF ZINC000133836582 358770653 /nfs/dbraw/zinc/77/06/53/358770653.db2.gz UFKSOCAYYMWFSL-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCCF ZINC000133836582 358770657 /nfs/dbraw/zinc/77/06/57/358770657.db2.gz UFKSOCAYYMWFSL-GFCCVEGCSA-N 1 3 216.344 2.152 20 0 BEADHO C[NH2+]CCCN1CC[C@H](c2ccccc2)C1 ZINC000050600623 358734162 /nfs/dbraw/zinc/73/41/62/358734162.db2.gz TWLFPRBWCYLNLY-AWEZNQCLSA-N 1 3 218.344 2.085 20 0 BEADHO CCC[C@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000134363867 358787401 /nfs/dbraw/zinc/78/74/01/358787401.db2.gz BAPHXZMXAWXCAQ-IHRRRGAJSA-N 1 3 242.407 2.048 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc2ncccc2c1 ZINC000136137774 358865111 /nfs/dbraw/zinc/86/51/11/358865111.db2.gz PTAFBSIIUIIMOX-LLVKDONJSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000137675823 358899400 /nfs/dbraw/zinc/89/94/00/358899400.db2.gz KBOBVPBQYQBLRQ-CYBMUJFWSA-N 1 3 210.365 2.204 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCc2ccsc2)C1 ZINC000086403616 358968251 /nfs/dbraw/zinc/96/82/51/358968251.db2.gz LDWGYNNUBMCVPM-RYUDHWBXSA-N 1 3 224.373 2.150 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccsc2)C1 ZINC000086403619 358968661 /nfs/dbraw/zinc/96/86/61/358968661.db2.gz LDWGYNNUBMCVPM-NEPJUHHUSA-N 1 3 224.373 2.150 20 0 BEADHO CCCN1CCC([NH2+]CCC(F)(F)F)CC1 ZINC000059382791 358920271 /nfs/dbraw/zinc/92/02/71/358920271.db2.gz AWRROOCVZYCCTI-UHFFFAOYSA-N 1 3 238.297 2.403 20 0 BEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000423334071 192713176 /nfs/dbraw/zinc/71/31/76/192713176.db2.gz FMTPVXDUSLKFLQ-LLVKDONJSA-N 1 3 234.318 2.396 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)CN1CCCC1 ZINC000070762692 359062696 /nfs/dbraw/zinc/06/26/96/359062696.db2.gz VJXAVWFAEDEYKP-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO FCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246969061 359179012 /nfs/dbraw/zinc/17/90/12/359179012.db2.gz VIKBEPBGGQMULS-GXTWGEPZSA-N 1 3 240.366 2.295 20 0 BEADHO FCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246969061 359179014 /nfs/dbraw/zinc/17/90/14/359179014.db2.gz VIKBEPBGGQMULS-GXTWGEPZSA-N 1 3 240.366 2.295 20 0 BEADHO CC[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000247172216 359198843 /nfs/dbraw/zinc/19/88/43/359198843.db2.gz YQGKXZDJLNVYKF-IHRRRGAJSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)OCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000613754880 363633225 /nfs/dbraw/zinc/63/32/25/363633225.db2.gz SWSZHZJHIGSPOH-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)(C)C ZINC000423420144 192749995 /nfs/dbraw/zinc/74/99/95/192749995.db2.gz AYWDOQCAQFKUCS-KXNHARMFSA-N 1 3 210.365 2.009 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@H](C)N ZINC000423470893 192784240 /nfs/dbraw/zinc/78/42/40/192784240.db2.gz PKKMMMGBWACCGN-MNXVOIDGSA-N 1 3 236.359 2.088 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCS[C@H](C)CC1 ZINC000379530565 359536204 /nfs/dbraw/zinc/53/62/04/359536204.db2.gz CJCXOFFQNDMWDE-NEPJUHHUSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCS[C@H](C)CC1 ZINC000379530565 359536207 /nfs/dbraw/zinc/53/62/07/359536207.db2.gz CJCXOFFQNDMWDE-NEPJUHHUSA-N 1 3 230.421 2.187 20 0 BEADHO CSCC[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000169241713 359878173 /nfs/dbraw/zinc/87/81/73/359878173.db2.gz NORLPCYEWBZECI-VXGBXAGGSA-N 1 3 222.357 2.084 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@](C)(COC)C1 ZINC000451202090 202380528 /nfs/dbraw/zinc/38/05/28/202380528.db2.gz LWZHZFUGPHRKBL-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@](C)(COC)C1 ZINC000451202090 202380529 /nfs/dbraw/zinc/38/05/29/202380529.db2.gz LWZHZFUGPHRKBL-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCNC2)c1 ZINC000088162120 359938549 /nfs/dbraw/zinc/93/85/49/359938549.db2.gz OAHXYTBTFKEGSJ-TZMCWYRMSA-N 1 3 218.344 2.398 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1cscn1 ZINC000578756849 366639159 /nfs/dbraw/zinc/63/91/59/366639159.db2.gz YMXWLPAYEUHOJH-QWRGUYRKSA-N 1 3 239.388 2.183 20 0 BEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000578878480 366664917 /nfs/dbraw/zinc/66/49/17/366664917.db2.gz UWRFQHHHEZIXIY-XQQFMLRXSA-N 1 3 242.407 2.155 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000089140770 359992658 /nfs/dbraw/zinc/99/26/58/359992658.db2.gz FNRDMDRZUAGEAC-JSGCOSHPSA-N 1 3 236.334 2.433 20 0 BEADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccnc1 ZINC000089140102 359992846 /nfs/dbraw/zinc/99/28/46/359992846.db2.gz LKRGSACBTKPNEZ-SCRDCRAPSA-N 1 3 233.359 2.250 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000089140768 359993157 /nfs/dbraw/zinc/99/31/57/359993157.db2.gz FNRDMDRZUAGEAC-GXTWGEPZSA-N 1 3 236.334 2.433 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000089150403 359994165 /nfs/dbraw/zinc/99/41/65/359994165.db2.gz VFKMFTFOCZBGEG-ZWNOBZJWSA-N 1 3 240.297 2.182 20 0 BEADHO CCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090219446 360065980 /nfs/dbraw/zinc/06/59/80/360065980.db2.gz VDXFCZBOUYYXFI-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090219446 360065985 /nfs/dbraw/zinc/06/59/85/360065985.db2.gz VDXFCZBOUYYXFI-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090219446 360065990 /nfs/dbraw/zinc/06/59/90/360065990.db2.gz VDXFCZBOUYYXFI-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO COCCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516158 360256032 /nfs/dbraw/zinc/25/60/32/360256032.db2.gz SIJOKKXHBTZBHP-KBPBESRZSA-N 1 3 242.407 2.313 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156086424 360947325 /nfs/dbraw/zinc/94/73/25/360947325.db2.gz YVGHZDKCZGZPLW-YNEHKIRRSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)Oc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000414883495 200773544 /nfs/dbraw/zinc/77/35/44/200773544.db2.gz VDRIVLNBNSPYRC-LBPRGKRZSA-N 1 3 236.359 2.158 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408035 361056841 /nfs/dbraw/zinc/05/68/41/361056841.db2.gz OXUVZYQSEMZPAL-HRDYMLBCSA-N 1 3 224.270 2.057 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000629406528 361054488 /nfs/dbraw/zinc/05/44/88/361054488.db2.gz NIJYSLSFBKFDLE-QNWJLWSRSA-N 1 3 210.365 2.151 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)C[C@H]1C ZINC000629408946 361057581 /nfs/dbraw/zinc/05/75/81/361057581.db2.gz DALAORDJZASFSE-SYQHCUMBSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000629408339 361058515 /nfs/dbraw/zinc/05/85/15/361058515.db2.gz UBXUDVPATKCRMD-DOERSZECSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](CC1CCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410503 361059468 /nfs/dbraw/zinc/05/94/68/361059468.db2.gz FWKMWWUYEWKQIP-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO CCC[C@@H](C)CCC[N@@H+]1CCCNCC1 ZINC000629505902 361101022 /nfs/dbraw/zinc/10/10/22/361101022.db2.gz PZUFRXQWDKLYQY-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@@H](C)CCC[N@H+]1CCCNCC1 ZINC000629505902 361101024 /nfs/dbraw/zinc/10/10/24/361101024.db2.gz PZUFRXQWDKLYQY-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CCC[C@H](C)CCC[N@@H+]1CC[C@@H](CN)C1 ZINC000629511422 361105991 /nfs/dbraw/zinc/10/59/91/361105991.db2.gz ILYMBJYWXVFXCP-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@H](C)CCC[N@H+]1CC[C@@H](CN)C1 ZINC000629511422 361105992 /nfs/dbraw/zinc/10/59/92/361105992.db2.gz ILYMBJYWXVFXCP-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CCO[C@H](CN(C)CC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000629512953 361107598 /nfs/dbraw/zinc/10/75/98/361107598.db2.gz JQKOFCYDGHHODR-ZIAGYGMSSA-N 1 3 242.407 2.107 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000629527392 361129681 /nfs/dbraw/zinc/12/96/81/361129681.db2.gz URBMXBSUCHEFEE-QWHCGFSZSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C1CCCC1 ZINC000629526050 361126964 /nfs/dbraw/zinc/12/69/64/361126964.db2.gz JOUZKAJANIXBKM-WCFLWFBJSA-N 1 3 210.365 2.295 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000622044442 370672849 /nfs/dbraw/zinc/67/28/49/370672849.db2.gz FSVHQJDOIGLPOY-KPFVRQRISA-N 1 3 210.365 2.010 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000622044342 370673006 /nfs/dbraw/zinc/67/30/06/370673006.db2.gz BHYIOSHLSYMADQ-IFWUJCSASA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043655 370673928 /nfs/dbraw/zinc/67/39/28/370673928.db2.gz HBERAUSNUKQYJT-MXWKQRLJSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H](NCC[C@H]1CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000622043660 370675783 /nfs/dbraw/zinc/67/57/83/370675783.db2.gz HFLQJAMDQSNUNR-DCAQKATOSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000622044892 370678858 /nfs/dbraw/zinc/67/88/58/370678858.db2.gz WTIMKZCMXNSPNO-WFASDCNBSA-N 1 3 232.371 2.261 20 0 BEADHO CCO[C@H]1C[C@H](NCC[C@H](C)[NH3+])C1(CC)CC ZINC000622045471 370680116 /nfs/dbraw/zinc/68/01/16/370680116.db2.gz XGJAQCHGVGFXRJ-AVGNSLFASA-N 1 3 242.407 2.297 20 0 BEADHO CCO[C@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(CC)CC ZINC000622045471 370680121 /nfs/dbraw/zinc/68/01/21/370680121.db2.gz XGJAQCHGVGFXRJ-AVGNSLFASA-N 1 3 242.407 2.297 20 0 BEADHO NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC000040409825 181332733 /nfs/dbraw/zinc/33/27/33/181332733.db2.gz MTKZTYJJOBDSNO-UHFFFAOYSA-N 1 3 204.317 2.048 20 0 BEADHO Cc1ccc([C@H](C)NCCOCCC[NH3+])cc1 ZINC000629539756 361401222 /nfs/dbraw/zinc/40/12/22/361401222.db2.gz NRFMTXMWXUHFPH-ZDUSSCGKSA-N 1 3 236.359 2.011 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)C[C@H]2C[C@H]2C1 ZINC000629537533 361401331 /nfs/dbraw/zinc/40/13/31/361401331.db2.gz KZRMLNNIWGKVDJ-MEBFFEOJSA-N 1 3 222.376 2.282 20 0 BEADHO Cc1cccc([C@@H](C)NCCOCCC[NH3+])c1 ZINC000629538747 361403793 /nfs/dbraw/zinc/40/37/93/361403793.db2.gz LFVALDOGOIRWQU-CYBMUJFWSA-N 1 3 236.359 2.011 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CC)C1 ZINC000181134726 366789418 /nfs/dbraw/zinc/78/94/18/366789418.db2.gz XFYATVOPTXIIJU-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+]([C@@H](C)CC)C1 ZINC000181134726 366789426 /nfs/dbraw/zinc/78/94/26/366789426.db2.gz XFYATVOPTXIIJU-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)CC)C1 ZINC000181134726 366789431 /nfs/dbraw/zinc/78/94/31/366789431.db2.gz XFYATVOPTXIIJU-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)CC)C1 ZINC000181134726 366789437 /nfs/dbraw/zinc/78/94/37/366789437.db2.gz XFYATVOPTXIIJU-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CC)C1 ZINC000181134706 366789724 /nfs/dbraw/zinc/78/97/24/366789724.db2.gz XFYATVOPTXIIJU-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CC)C1 ZINC000181134706 366789728 /nfs/dbraw/zinc/78/97/28/366789728.db2.gz XFYATVOPTXIIJU-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)CC)C1 ZINC000181134706 366789733 /nfs/dbraw/zinc/78/97/33/366789733.db2.gz XFYATVOPTXIIJU-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CC)C1 ZINC000181134706 366789738 /nfs/dbraw/zinc/78/97/38/366789738.db2.gz XFYATVOPTXIIJU-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000629544263 361423559 /nfs/dbraw/zinc/42/35/59/361423559.db2.gz HENDHUWBVRWUGS-WUHRBBMRSA-N 1 3 228.355 2.245 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629545680 361426376 /nfs/dbraw/zinc/42/63/76/361426376.db2.gz QAZFMBQVELFISU-KXNHARMFSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555067 361435988 /nfs/dbraw/zinc/43/59/88/361435988.db2.gz QUFKRCRIJKRNOK-SRVKXCTJSA-N 1 3 210.365 2.282 20 0 BEADHO c1ccc(C[C@H]2CC[C@@H]([NH2+][C@@H]3CCNC3)C2)cc1 ZINC000629553261 361437509 /nfs/dbraw/zinc/43/75/09/361437509.db2.gz SPDZRFKCYIEFBF-BZUAXINKSA-N 1 3 244.382 2.349 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H](C)C1(F)F ZINC000629553172 361437650 /nfs/dbraw/zinc/43/76/50/361437650.db2.gz VJIZYJRUUSYQBX-TUAOUCFPSA-N 1 3 246.345 2.209 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@H](C)C1(F)F ZINC000629553173 361437883 /nfs/dbraw/zinc/43/78/83/361437883.db2.gz VJIZYJRUUSYQBX-UTUOFQBUSA-N 1 3 246.345 2.209 20 0 BEADHO C[C@H](NC[C@@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000629554277 361440144 /nfs/dbraw/zinc/44/01/44/361440144.db2.gz HGYIPMFUXMZEAZ-AVGNSLFASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000629554277 361440149 /nfs/dbraw/zinc/44/01/49/361440149.db2.gz HGYIPMFUXMZEAZ-AVGNSLFASA-N 1 3 222.376 2.297 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629555208 361445950 /nfs/dbraw/zinc/44/59/50/361445950.db2.gz RVCYJYJWITTZBO-YNEHKIRRSA-N 1 3 222.376 2.284 20 0 BEADHO Cc1ccccc1[C@@H](C)NCCOCCC[NH3+] ZINC000629541959 361418070 /nfs/dbraw/zinc/41/80/70/361418070.db2.gz VBFAPJCBIQISKT-CYBMUJFWSA-N 1 3 236.359 2.011 20 0 BEADHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]2C2CCC2)C[NH2+]1 ZINC000629542550 361419112 /nfs/dbraw/zinc/41/91/12/361419112.db2.gz FPWFSIMJMDYYME-VZZFWQQMSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)CN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563980 361458330 /nfs/dbraw/zinc/45/83/30/361458330.db2.gz IUOSXGIKQBVYGU-NXEZZACHSA-N 1 3 238.297 2.102 20 0 BEADHO CC(C)C[C@H](C)CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660067 361564835 /nfs/dbraw/zinc/56/48/35/361564835.db2.gz NDLPBLUVMMBSCS-YNEHKIRRSA-N 1 3 212.381 2.399 20 0 BEADHO CCC[C@H](C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665245 361595713 /nfs/dbraw/zinc/59/57/13/361595713.db2.gz LGQIKVPDNBPQCH-MELADBBJSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000629672446 361614527 /nfs/dbraw/zinc/61/45/27/361614527.db2.gz SDVACCIKBVSEIY-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](CN)C1 ZINC000435378808 201264460 /nfs/dbraw/zinc/26/44/60/201264460.db2.gz KAPBGEUSQXXVEV-HIFRSBDPSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](CN)C1 ZINC000435378808 201264463 /nfs/dbraw/zinc/26/44/63/201264463.db2.gz KAPBGEUSQXXVEV-HIFRSBDPSA-N 1 3 232.371 2.146 20 0 BEADHO Cc1ccc(C[C@H](C)[N@H+](C)CCCN)cc1 ZINC000435396779 201269392 /nfs/dbraw/zinc/26/93/92/201269392.db2.gz YJXXQWNACVRMLB-ZDUSSCGKSA-N 1 3 220.360 2.207 20 0 BEADHO Cc1ccc(C[C@H](C)[N@@H+](C)CCCN)cc1 ZINC000435396779 201269395 /nfs/dbraw/zinc/26/93/95/201269395.db2.gz YJXXQWNACVRMLB-ZDUSSCGKSA-N 1 3 220.360 2.207 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000437779773 201371195 /nfs/dbraw/zinc/37/11/95/201371195.db2.gz CAJVAUYCYWRIBJ-KGLIPLIRSA-N 1 3 218.344 2.261 20 0 BEADHO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCN ZINC000437768101 201371478 /nfs/dbraw/zinc/37/14/78/201371478.db2.gz AQSXWUWCMMEYMY-AWEZNQCLSA-N 1 3 220.360 2.255 20 0 BEADHO C[C@H](CCc1ccccc1F)[NH2+]CCCN ZINC000437772183 201371831 /nfs/dbraw/zinc/37/18/31/201371831.db2.gz JKOXEGQNJQXMDL-LLVKDONJSA-N 1 3 224.323 2.085 20 0 BEADHO C[C@H](CCc1ccccc1F)NCCC[NH3+] ZINC000437772183 201371834 /nfs/dbraw/zinc/37/18/34/201371834.db2.gz JKOXEGQNJQXMDL-LLVKDONJSA-N 1 3 224.323 2.085 20 0 BEADHO C[C@@H]1CC[C@@H](NCC2CCCCC2)C[NH2+]1 ZINC000398974250 364401418 /nfs/dbraw/zinc/40/14/18/364401418.db2.gz XYGXMIBDNGFSIH-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)CN(C)C ZINC000453224467 202712258 /nfs/dbraw/zinc/71/22/58/202712258.db2.gz AXGZAGOPMIHUOA-SMDDNHRTSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1cscn1 ZINC000573316011 364795065 /nfs/dbraw/zinc/79/50/65/364795065.db2.gz VUFOYESDJGAUMM-SNVBAGLBSA-N 1 3 239.388 2.183 20 0 BEADHO COC1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000573696560 364896782 /nfs/dbraw/zinc/89/67/82/364896782.db2.gz JVQFQZAPCNVPAG-QPPOZKHWSA-N 1 3 240.391 2.051 20 0 BEADHO [NH3+]CCCCCCN1CCOc2ccccc2C1 ZINC000063013462 181375457 /nfs/dbraw/zinc/37/54/57/181375457.db2.gz JHHQAMQCPBXMDO-UHFFFAOYSA-N 1 3 248.370 2.400 20 0 BEADHO CCC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000309843147 541429857 /nfs/dbraw/zinc/42/98/57/541429857.db2.gz RAMQXRTWIOZHSD-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO NCCC[N@H+](CC1CC1)CC1CCCC1 ZINC000309589217 181379995 /nfs/dbraw/zinc/37/99/95/181379995.db2.gz YBTJIFRONHPQOM-UHFFFAOYSA-N 1 3 210.365 2.237 20 0 BEADHO NCCC[N@@H+](CC1CC1)CC1CCCC1 ZINC000309589217 181379997 /nfs/dbraw/zinc/37/99/97/181379997.db2.gz YBTJIFRONHPQOM-UHFFFAOYSA-N 1 3 210.365 2.237 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)[C@@H]1CC2CCC1CC2 ZINC000575873237 365399434 /nfs/dbraw/zinc/39/94/34/365399434.db2.gz LNWMWSUZRCVKMN-XILHMQAWSA-N 1 3 236.403 2.399 20 0 BEADHO CC(C)NCCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000575914103 365410781 /nfs/dbraw/zinc/41/07/81/365410781.db2.gz BYNMGUZNYOLGEU-ZDUSSCGKSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+]C[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC000579712580 366989158 /nfs/dbraw/zinc/98/91/58/366989158.db2.gz RXGFIOPISDBOFU-ZDUSSCGKSA-N 1 3 238.400 2.351 20 0 BEADHO c1ccc(CC[N@@H+]2CCC[C@@H]3CNCC[C@H]32)cc1 ZINC000631887136 370835096 /nfs/dbraw/zinc/83/50/96/370835096.db2.gz OCGUHYSEZDXCRR-HZPDHXFCSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CC[N@H+]2CCC[C@@H]3CNCC[C@H]32)cc1 ZINC000631887136 370835101 /nfs/dbraw/zinc/83/51/01/370835101.db2.gz OCGUHYSEZDXCRR-HZPDHXFCSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CCN2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887136 370835104 /nfs/dbraw/zinc/83/51/04/370835104.db2.gz OCGUHYSEZDXCRR-HZPDHXFCSA-N 1 3 244.382 2.303 20 0 BEADHO CC/C=C\CC[N@@H+]1CCN(C)C[C@H]1CC ZINC000581128371 367270897 /nfs/dbraw/zinc/27/08/97/367270897.db2.gz ZGPGUINSQSAXLL-FMFIFOJESA-N 1 3 210.365 2.369 20 0 BEADHO CC/C=C\CC[N@H+]1CCN(C)C[C@H]1CC ZINC000581128371 367270903 /nfs/dbraw/zinc/27/09/03/367270903.db2.gz ZGPGUINSQSAXLL-FMFIFOJESA-N 1 3 210.365 2.369 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000381357995 367388030 /nfs/dbraw/zinc/38/80/30/367388030.db2.gz DTBPOCUVBJMZJG-KGLIPLIRSA-N 1 3 222.376 2.417 20 0 BEADHO CC[C@@H](C[N@H+](C)CCCN)c1ccccc1 ZINC000382089734 367484661 /nfs/dbraw/zinc/48/46/61/367484661.db2.gz XUSONCOZSCAYFA-ZDUSSCGKSA-N 1 3 220.360 2.461 20 0 BEADHO CC[C@@H](C[N@@H+](C)CCCN)c1ccccc1 ZINC000382089734 367484664 /nfs/dbraw/zinc/48/46/64/367484664.db2.gz XUSONCOZSCAYFA-ZDUSSCGKSA-N 1 3 220.360 2.461 20 0 BEADHO CC(C)[C@@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000382548864 367537060 /nfs/dbraw/zinc/53/70/60/367537060.db2.gz RPABIPHTZZBTEM-CYBMUJFWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+]CCCNC1CC1 ZINC000382602026 367547753 /nfs/dbraw/zinc/54/77/53/367547753.db2.gz SLNHVBZATCPRIT-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383199936 367604909 /nfs/dbraw/zinc/60/49/09/367604909.db2.gz YVAOEPOSPBAXHI-GHMZBOCLSA-N 1 3 232.318 2.139 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383199943 367605595 /nfs/dbraw/zinc/60/55/95/367605595.db2.gz YVAOEPOSPBAXHI-WDEREUQCSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC1(C)C ZINC000399124839 367596004 /nfs/dbraw/zinc/59/60/04/367596004.db2.gz JMCSZRLBWOOJHV-WYUUTHIRSA-N 1 3 210.365 2.151 20 0 BEADHO CCC[NH2+]CCNC[C@@H]1CCC[C@@H](C)C1 ZINC000383112715 367597561 /nfs/dbraw/zinc/59/75/61/367597561.db2.gz IDESIYQXLOEIHT-CHWSQXEVSA-N 1 3 212.381 2.402 20 0 BEADHO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCNC ZINC000581612321 367635046 /nfs/dbraw/zinc/63/50/46/367635046.db2.gz LVGZUFLGDTUUPD-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCCNC ZINC000581612321 367635051 /nfs/dbraw/zinc/63/50/51/367635051.db2.gz LVGZUFLGDTUUPD-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CSCC1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000385353619 367822261 /nfs/dbraw/zinc/82/22/61/367822261.db2.gz FYDUWFLMHRRKQF-WXRRBKDZSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](NCC1(C)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386127257 367915464 /nfs/dbraw/zinc/91/54/64/367915464.db2.gz NXXBKFVXXHSRPO-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](N[C@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000386125378 367915822 /nfs/dbraw/zinc/91/58/22/367915822.db2.gz NQUMITAELWXBJG-AVGNSLFASA-N 1 3 208.349 2.215 20 0 BEADHO C[C@@H]1C[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@H]1C ZINC000386192128 367927793 /nfs/dbraw/zinc/92/77/93/367927793.db2.gz DPIMOTBVENEMIT-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](NCC1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000385984603 367893297 /nfs/dbraw/zinc/89/32/97/367893297.db2.gz DBWNCRRILBDTRG-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](NCC1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000385984600 367893310 /nfs/dbraw/zinc/89/33/10/367893310.db2.gz DBWNCRRILBDTRG-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CSCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386596409 367999013 /nfs/dbraw/zinc/99/90/13/367999013.db2.gz SVENNJIBXAMGCM-NEPJUHHUSA-N 1 3 230.421 2.250 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000387025123 368042253 /nfs/dbraw/zinc/04/22/53/368042253.db2.gz NGAYLCGCKNEZAR-XQQFMLRXSA-N 1 3 222.376 2.426 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CCCC3)C1 ZINC000387115102 368051556 /nfs/dbraw/zinc/05/15/56/368051556.db2.gz JFPWYUNWYOSNPG-WOPDTQHZSA-N 1 3 208.349 2.179 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CC23CCCC3)C1 ZINC000387115102 368051557 /nfs/dbraw/zinc/05/15/57/368051557.db2.gz JFPWYUNWYOSNPG-WOPDTQHZSA-N 1 3 208.349 2.179 20 0 BEADHO C[C@@H](CN(C)C[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697691 368486617 /nfs/dbraw/zinc/48/66/17/368486617.db2.gz BLUJAYOHLSOWSY-RYUDHWBXSA-N 1 3 212.381 2.210 20 0 BEADHO C[C@H](CN(C)C[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697686 368487369 /nfs/dbraw/zinc/48/73/69/368487369.db2.gz BLUJAYOHLSOWSY-NEPJUHHUSA-N 1 3 212.381 2.210 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCc2cccs2)C1 ZINC000086402008 368879752 /nfs/dbraw/zinc/87/97/52/368879752.db2.gz KCILGDIMEMQHAH-WDEREUQCSA-N 1 3 224.373 2.150 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000086402008 368879758 /nfs/dbraw/zinc/87/97/58/368879758.db2.gz KCILGDIMEMQHAH-WDEREUQCSA-N 1 3 224.373 2.150 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCCC1 ZINC000088162989 368906788 /nfs/dbraw/zinc/90/67/88/368906788.db2.gz SMPRYMGHYAGJJI-RTXFEEFZSA-N 1 3 210.365 2.425 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000084223080 368850266 /nfs/dbraw/zinc/85/02/66/368850266.db2.gz PXJDILBAPPDSFW-JSGCOSHPSA-N 1 3 222.376 2.140 20 0 BEADHO CC(C)OC[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623657093 368998158 /nfs/dbraw/zinc/99/81/58/368998158.db2.gz JRBYVINUVSXNDU-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657093 368998159 /nfs/dbraw/zinc/99/81/59/368998159.db2.gz JRBYVINUVSXNDU-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H](NCC(C1CC1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000400631320 369351814 /nfs/dbraw/zinc/35/18/14/369351814.db2.gz LTBKAWNRIMEAJT-QMTHXVAHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+]CC(C1CC1)C1CC1)[C@H]1CCCN1 ZINC000400631320 369351817 /nfs/dbraw/zinc/35/18/17/369351817.db2.gz LTBKAWNRIMEAJT-QMTHXVAHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1C[N@H+](CCCc2ccccc2)C[C@H]1CN ZINC000631843096 369373186 /nfs/dbraw/zinc/37/31/86/369373186.db2.gz JGCWODWIDVAGJA-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1CN ZINC000631843096 369373190 /nfs/dbraw/zinc/37/31/90/369373190.db2.gz JGCWODWIDVAGJA-DZGCQCFKSA-N 1 3 232.371 2.146 20 0 BEADHO CCSCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404326651 369426953 /nfs/dbraw/zinc/42/69/53/369426953.db2.gz VXLGOTMACRLXLR-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404326651 369426956 /nfs/dbraw/zinc/42/69/56/369426956.db2.gz VXLGOTMACRLXLR-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404326651 369426958 /nfs/dbraw/zinc/42/69/58/369426958.db2.gz VXLGOTMACRLXLR-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165265531 203383777 /nfs/dbraw/zinc/38/37/77/203383777.db2.gz XHSPPKIHNBZQIZ-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459795037 203371841 /nfs/dbraw/zinc/37/18/41/203371841.db2.gz XGVGBIPVMITCNQ-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCNC1 ZINC000252135867 369999202 /nfs/dbraw/zinc/99/92/02/369999202.db2.gz LLZKBJNVLGPPPU-HZSPNIEDSA-N 1 3 224.392 2.402 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCNC1 ZINC000252205863 370001010 /nfs/dbraw/zinc/00/10/10/370001010.db2.gz XDURAUDPZJQLCS-RQJABVFESA-N 1 3 224.392 2.399 20 0 BEADHO CCOc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000252754354 370122682 /nfs/dbraw/zinc/12/26/82/370122682.db2.gz BAXMBCKYOZUBNV-GXTWGEPZSA-N 1 3 248.370 2.254 20 0 BEADHO COc1cccc([C@H](C)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000252763349 370125266 /nfs/dbraw/zinc/12/52/66/370125266.db2.gz HLUMIFWZKIFFGL-OBJOEFQTSA-N 1 3 248.370 2.425 20 0 BEADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000631867587 370303633 /nfs/dbraw/zinc/30/36/33/370303633.db2.gz XEQLWJVNJZTWPP-QMIVOQANSA-N 1 3 234.387 2.154 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000624120678 371320972 /nfs/dbraw/zinc/32/09/72/371320972.db2.gz DXJKBOQHYVWPOB-LBPRGKRZSA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120447 371321389 /nfs/dbraw/zinc/32/13/89/371321389.db2.gz ZKEXPWFGPDJRIO-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120446 371321453 /nfs/dbraw/zinc/32/14/53/371321453.db2.gz ZKEXPWFGPDJRIO-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)[C@H]1C ZINC000624124120 371325064 /nfs/dbraw/zinc/32/50/64/371325064.db2.gz XTDSHSXYNFRKQQ-RFGFWPKPSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1OCC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000134203505 372179009 /nfs/dbraw/zinc/17/90/09/372179009.db2.gz YFFZSPSKQKTXJO-WCQYABFASA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631834296 372617708 /nfs/dbraw/zinc/61/77/08/372617708.db2.gz UIEVQCJYYBKULO-CYBMUJFWSA-N 1 3 228.380 2.005 20 0 BEADHO CC(C)OCCC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631834296 372617716 /nfs/dbraw/zinc/61/77/16/372617716.db2.gz UIEVQCJYYBKULO-CYBMUJFWSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)C(C)(C)C ZINC000631837059 372627829 /nfs/dbraw/zinc/62/78/29/372627829.db2.gz MJDFPDORDOBHLL-IJLUTSLNSA-N 1 3 212.381 2.195 20 0 BEADHO C[C@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)C(C)(C)C ZINC000631837059 372627831 /nfs/dbraw/zinc/62/78/31/372627831.db2.gz MJDFPDORDOBHLL-IJLUTSLNSA-N 1 3 212.381 2.195 20 0 BEADHO C[C@@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)C(C)(C)C ZINC000631837058 372627848 /nfs/dbraw/zinc/62/78/48/372627848.db2.gz MJDFPDORDOBHLL-GRYCIOLGSA-N 1 3 212.381 2.195 20 0 BEADHO C[C@@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)C(C)(C)C ZINC000631837058 372627849 /nfs/dbraw/zinc/62/78/49/372627849.db2.gz MJDFPDORDOBHLL-GRYCIOLGSA-N 1 3 212.381 2.195 20 0 BEADHO C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CN ZINC000631837832 372630184 /nfs/dbraw/zinc/63/01/84/372630184.db2.gz FYGCXUVPJRURON-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CN ZINC000631837832 372630185 /nfs/dbraw/zinc/63/01/85/372630185.db2.gz FYGCXUVPJRURON-VXGBXAGGSA-N 1 3 212.381 2.339 20 0 BEADHO Cc1cc(C)cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631844457 372643287 /nfs/dbraw/zinc/64/32/87/372643287.db2.gz XLDPZFZRFUFVRV-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cc(C)cc(C[N@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631844457 372643290 /nfs/dbraw/zinc/64/32/90/372643290.db2.gz XLDPZFZRFUFVRV-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631844457 372643293 /nfs/dbraw/zinc/64/32/93/372643293.db2.gz XLDPZFZRFUFVRV-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO FC1(F)CC[C@H](C[NH2+][C@]23CCC[C@@H]2CNC3)C1 ZINC000631867047 372667985 /nfs/dbraw/zinc/66/79/85/372667985.db2.gz HSQORMPDDCARKV-TUAOUCFPSA-N 1 3 244.329 2.154 20 0 BEADHO C([C@H]1CC[NH2+]C1)N1CCC[C@H](C2CCC2)CC1 ZINC000631873779 372675599 /nfs/dbraw/zinc/67/55/99/372675599.db2.gz WBCADJVWECMQBS-ZFWWWQNUSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H](C[N@H+](C)CCCN)C1CCCCC1 ZINC000379981675 373099958 /nfs/dbraw/zinc/09/99/58/373099958.db2.gz HSHLEADPMODECW-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](C[N@@H+](C)CCCN)C1CCCCC1 ZINC000379981675 373099965 /nfs/dbraw/zinc/09/99/65/373099965.db2.gz HSHLEADPMODECW-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](CN(C)CCC[NH3+])C1CCCCC1 ZINC000379981675 373099973 /nfs/dbraw/zinc/09/99/73/373099973.db2.gz HSHLEADPMODECW-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO COCCC[C@@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000178305213 134306008 /nfs/dbraw/zinc/30/60/08/134306008.db2.gz ISPSKAKNKBEYHR-RDBSUJKOSA-N 1 3 242.407 2.264 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424381315 206038176 /nfs/dbraw/zinc/03/81/76/206038176.db2.gz YJXAVLUQEQUKPS-IGQOVBAYSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCN ZINC000437759646 206070272 /nfs/dbraw/zinc/07/02/72/206070272.db2.gz DOAWTWQHKXQQMK-YUTCNCBUSA-N 1 3 218.344 2.117 20 0 BEADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000437759646 206070279 /nfs/dbraw/zinc/07/02/79/206070279.db2.gz DOAWTWQHKXQQMK-YUTCNCBUSA-N 1 3 218.344 2.117 20 0 BEADHO Cc1ccc(C)c(CN[C@H](C)CC[NH3+])c1 ZINC000220538812 134309444 /nfs/dbraw/zinc/30/94/44/134309444.db2.gz OYZJOALBAMBAQR-GFCCVEGCSA-N 1 3 206.333 2.130 20 0 BEADHO CCC[N@H+](CC1CC1)C[C@@H]1CCCNC1 ZINC000042491162 169138289 /nfs/dbraw/zinc/13/82/89/169138289.db2.gz BRTHZIPZORWRHM-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[N@@H+](CC1CC1)C[C@@H]1CCCNC1 ZINC000042491162 169138292 /nfs/dbraw/zinc/13/82/92/169138292.db2.gz BRTHZIPZORWRHM-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[NH+](CCC)CCCNCC1(C)COC1 ZINC000352830738 169147407 /nfs/dbraw/zinc/14/74/07/169147407.db2.gz VCSAOYKSMINJBX-UHFFFAOYSA-N 1 3 242.407 2.125 20 0 BEADHO CCC[N@H+](CCCN(CC)CC)CC(C)(C)O ZINC000338315904 169155876 /nfs/dbraw/zinc/15/58/76/169155876.db2.gz PUSQHTVUFYSVDR-UHFFFAOYSA-N 1 3 244.423 2.201 20 0 BEADHO CCC[N@@H+](CCCN(CC)CC)CC(C)(C)O ZINC000338315904 169155878 /nfs/dbraw/zinc/15/58/78/169155878.db2.gz PUSQHTVUFYSVDR-UHFFFAOYSA-N 1 3 244.423 2.201 20 0 BEADHO CCCN(CCC[NH+](CC)CC)CC(C)(C)O ZINC000338315904 169155879 /nfs/dbraw/zinc/15/58/79/169155879.db2.gz PUSQHTVUFYSVDR-UHFFFAOYSA-N 1 3 244.423 2.201 20 0 BEADHO CCC[NH+]1CCC(NC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000127736670 169188678 /nfs/dbraw/zinc/18/86/78/169188678.db2.gz QCZCWZQDXBEGTJ-OCCSQVGLSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]CCC(C)C)C1 ZINC000076453766 169206969 /nfs/dbraw/zinc/20/69/69/169206969.db2.gz QETFLROOSXLZSY-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000340197245 169207304 /nfs/dbraw/zinc/20/73/04/169207304.db2.gz DRSAVNJZBYNLOT-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]CCSCC)C1 ZINC000336765290 169207423 /nfs/dbraw/zinc/20/74/23/169207423.db2.gz QSFMMYVUDCVAFL-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCC[N@@H+]1CC[C@@H](CNCCSCC)C1 ZINC000336765290 169207424 /nfs/dbraw/zinc/20/74/24/169207424.db2.gz QSFMMYVUDCVAFL-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCC[N@H+]1CC[C@@H](CNCCSCC)C1 ZINC000336765290 169207426 /nfs/dbraw/zinc/20/74/26/169207426.db2.gz QSFMMYVUDCVAFL-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)COC(C)C)C1 ZINC000337339614 169208658 /nfs/dbraw/zinc/20/86/58/169208658.db2.gz OSUIRJSHLPWNBR-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)COC(C)C)C1 ZINC000337339614 169208661 /nfs/dbraw/zinc/20/86/61/169208661.db2.gz OSUIRJSHLPWNBR-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000337339614 169208662 /nfs/dbraw/zinc/20/86/62/169208662.db2.gz OSUIRJSHLPWNBR-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@H]2CC)C1 ZINC000336782972 169209093 /nfs/dbraw/zinc/20/90/93/169209093.db2.gz ZDIVGGNMCSDJIH-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062078125 169369551 /nfs/dbraw/zinc/36/95/51/169369551.db2.gz RGROBZWMNSNWSK-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@@H](C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539757 169357869 /nfs/dbraw/zinc/35/78/69/169357869.db2.gz CMAJSUOCDKYPOS-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](C)CN(C)CCC[NH+]1CCCC1 ZINC000179309689 134320026 /nfs/dbraw/zinc/32/00/26/134320026.db2.gz ZKORIVSUVXKBSW-ZDUSSCGKSA-N 1 3 212.381 2.450 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H]1CCSC1)CN1CCCC1 ZINC000224420374 134347052 /nfs/dbraw/zinc/34/70/52/134347052.db2.gz QLSQJDHRDHJLOA-STQMWFEESA-N 1 3 242.432 2.061 20 0 BEADHO CN(CCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000088243170 383888309 /nfs/dbraw/zinc/88/83/09/383888309.db2.gz HTZZTINVKYPBKB-HNNXBMFYSA-N 1 3 232.371 2.303 20 0 BEADHO C[N@H+](CCc1ccccc1)[C@H]1CCCNCC1 ZINC000088243170 383888314 /nfs/dbraw/zinc/88/83/14/383888314.db2.gz HTZZTINVKYPBKB-HNNXBMFYSA-N 1 3 232.371 2.303 20 0 BEADHO C[N@@H+](CCc1ccccc1)[C@H]1CCCNCC1 ZINC000088243170 383888320 /nfs/dbraw/zinc/88/83/20/383888320.db2.gz HTZZTINVKYPBKB-HNNXBMFYSA-N 1 3 232.371 2.303 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000401109866 383933626 /nfs/dbraw/zinc/93/36/26/383933626.db2.gz GXLWTLVBTGYFQI-FRRDWIJNSA-N 1 3 234.343 2.066 20 0 BEADHO C[C@@H]([NH2+]CCCN(C)C)c1ccc2c(c1)CCO2 ZINC000037213715 383959749 /nfs/dbraw/zinc/95/97/49/383959749.db2.gz VIVNVHUOHWLNPQ-GFCCVEGCSA-N 1 3 248.370 2.224 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545968 384012539 /nfs/dbraw/zinc/01/25/39/384012539.db2.gz GOMWVZDBCXCGIX-CHWSQXEVSA-N 1 3 222.376 2.439 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000564973527 384053778 /nfs/dbraw/zinc/05/37/78/384053778.db2.gz NRQKIIISPOKHPD-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc2[nH]ccc21 ZINC000569447678 384050068 /nfs/dbraw/zinc/05/00/68/384050068.db2.gz NVVMYZODUOHQDG-UKRRQHHQSA-N 1 3 243.354 2.180 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643549041 384038645 /nfs/dbraw/zinc/03/86/45/384038645.db2.gz ZJEOUXFIOBDNFN-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000564973527 384053775 /nfs/dbraw/zinc/05/37/75/384053775.db2.gz NRQKIIISPOKHPD-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000302380967 384156296 /nfs/dbraw/zinc/15/62/96/384156296.db2.gz IGZVMKUIJDWMAZ-UTUOFQBUSA-N 1 3 246.345 2.481 20 0 BEADHO Cn1cccc1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381353 384176742 /nfs/dbraw/zinc/17/67/42/384176742.db2.gz JVQPRQYTONDLTC-UHFFFAOYSA-N 1 3 249.402 2.189 20 0 BEADHO Cc1cnccc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404265906 384166653 /nfs/dbraw/zinc/16/66/53/384166653.db2.gz HHTKPNIPEAPNGK-DOMZBBRYSA-N 1 3 247.386 2.339 20 0 BEADHO CNCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000309636646 384185557 /nfs/dbraw/zinc/18/55/57/384185557.db2.gz MYGIERPFAZSWBT-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO CNCCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000309636646 384185562 /nfs/dbraw/zinc/18/55/62/384185562.db2.gz MYGIERPFAZSWBT-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCC(C)(C)C1 ZINC000234335884 384178136 /nfs/dbraw/zinc/17/81/36/384178136.db2.gz RDPKKIHJHGFTRL-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCC(C)(C)C1 ZINC000234335884 384178139 /nfs/dbraw/zinc/17/81/39/384178139.db2.gz RDPKKIHJHGFTRL-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000222999304 384182301 /nfs/dbraw/zinc/18/23/01/384182301.db2.gz HLXQWGPADKOEAF-BZUAXINKSA-N 1 3 244.382 2.403 20 0 BEADHO CCc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163260135 384196265 /nfs/dbraw/zinc/19/62/65/384196265.db2.gz XINJRGVYNJBMMG-DOMZBBRYSA-N 1 3 232.371 2.418 20 0 BEADHO CCCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000336531978 384232444 /nfs/dbraw/zinc/23/24/44/384232444.db2.gz RPOFLCHJOFLHMZ-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO CCCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000336531978 384232446 /nfs/dbraw/zinc/23/24/46/384232446.db2.gz RPOFLCHJOFLHMZ-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO [NH3+]C[C@H]1CCCN1CCC1CCCCC1 ZINC000133240021 384234817 /nfs/dbraw/zinc/23/48/17/384234817.db2.gz FDBOITAWAUGMJH-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@]1(C[NH3+])CCN(c2ccnc3ccccc32)C1 ZINC000235416482 384223746 /nfs/dbraw/zinc/22/37/46/384223746.db2.gz HTRKZTLGJQAFJB-HNNXBMFYSA-N 1 3 241.338 2.410 20 0 BEADHO CC[C@H](C)N1CCC([NH2+]CC2CC2)CC1 ZINC000168534338 384247884 /nfs/dbraw/zinc/24/78/84/384247884.db2.gz APOSOWWVTPRGRM-NSHDSACASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC[C@H]2C)CO1 ZINC000401975652 384355962 /nfs/dbraw/zinc/35/59/62/384355962.db2.gz TYHVZPFCXWSQAL-MGPQQGTHSA-N 1 3 240.391 2.018 20 0 BEADHO CN(CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)C ZINC000120497668 384358792 /nfs/dbraw/zinc/35/87/92/384358792.db2.gz FIXNWEYKALBDPE-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CN(CC[C@@H]1CCC[N@H+]1C)CC(C)(C)C ZINC000120497668 384358795 /nfs/dbraw/zinc/35/87/95/384358795.db2.gz FIXNWEYKALBDPE-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH+]2CCC(N)CC2)C1 ZINC000084344413 384391703 /nfs/dbraw/zinc/39/17/03/384391703.db2.gz XZOHCXNNXJSUOL-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCC[C@@H](CN2CCC([NH3+])CC2)C1 ZINC000084344413 384391710 /nfs/dbraw/zinc/39/17/10/384391710.db2.gz XZOHCXNNXJSUOL-VXGBXAGGSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@]1(C[NH3+])CCN(c2ccnc3ccccc32)C1 ZINC000235735405 384412111 /nfs/dbraw/zinc/41/21/11/384412111.db2.gz HTRKZTLGJQAFJB-OAHLLOKOSA-N 1 3 241.338 2.410 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1CCCN[C@H]1C ZINC000335644269 384416443 /nfs/dbraw/zinc/41/64/43/384416443.db2.gz SQIYEUGDRZQFFE-GXTWGEPZSA-N 1 3 218.344 2.225 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084217039 384376925 /nfs/dbraw/zinc/37/69/25/384376925.db2.gz FDQYHCSGRCLJME-UPJWGTAASA-N 1 3 212.381 2.386 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000335602319 384378010 /nfs/dbraw/zinc/37/80/10/384378010.db2.gz QCMMQMGGPVTGSN-CYBMUJFWSA-N 1 3 220.360 2.171 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300240685 259651485 /nfs/dbraw/zinc/65/14/85/259651485.db2.gz FQUDZKXOQKKKDA-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229214959 384462220 /nfs/dbraw/zinc/46/22/20/384462220.db2.gz YNTCHCNKBTXALB-OLZOCXBDSA-N 1 3 242.432 2.237 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc2[nH]ccc2c1 ZINC000569330261 384470470 /nfs/dbraw/zinc/47/04/70/384470470.db2.gz DYVQYGRAFVHQJS-UKRRQHHQSA-N 1 3 243.354 2.180 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc2[nH]ccc2c1 ZINC000569330260 384471537 /nfs/dbraw/zinc/47/15/37/384471537.db2.gz DYVQYGRAFVHQJS-HIFRSBDPSA-N 1 3 243.354 2.180 20 0 BEADHO CN(C)CC(C)(C)C[NH2+]Cc1ccsc1 ZINC000019905723 384556822 /nfs/dbraw/zinc/55/68/22/384556822.db2.gz SXOMAJRQYUUMJH-UHFFFAOYSA-N 1 3 226.389 2.426 20 0 BEADHO C[C@@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727265 384560324 /nfs/dbraw/zinc/56/03/24/384560324.db2.gz DKHHLQPHBFDWTM-UTLUCORTSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727265 384560331 /nfs/dbraw/zinc/56/03/31/384560331.db2.gz DKHHLQPHBFDWTM-UTLUCORTSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000306053942 384568547 /nfs/dbraw/zinc/56/85/47/384568547.db2.gz WXWNKODGXHLZMY-IJLUTSLNSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000306053942 384568553 /nfs/dbraw/zinc/56/85/53/384568553.db2.gz WXWNKODGXHLZMY-IJLUTSLNSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH3+] ZINC000306053942 384568558 /nfs/dbraw/zinc/56/85/58/384568558.db2.gz WXWNKODGXHLZMY-IJLUTSLNSA-N 1 3 246.345 2.339 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)CN1CCCCC1 ZINC000309740513 384570456 /nfs/dbraw/zinc/57/04/56/384570456.db2.gz HPMAKNMFHDYIJA-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCC12CCCC2)CN(C)C ZINC000309769739 384599519 /nfs/dbraw/zinc/59/95/19/384599519.db2.gz OJQTYSWHZLNCBE-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[N@H+]1CC=C(CNCc2cccc(F)c2)CC1 ZINC000271875021 384646424 /nfs/dbraw/zinc/64/64/24/384646424.db2.gz ZCNDJMVQJZYDAV-UHFFFAOYSA-N 1 3 234.318 2.177 20 0 BEADHO C[N@@H+]1CC=C(CNCc2cccc(F)c2)CC1 ZINC000271875021 384646432 /nfs/dbraw/zinc/64/64/32/384646432.db2.gz ZCNDJMVQJZYDAV-UHFFFAOYSA-N 1 3 234.318 2.177 20 0 BEADHO CN(CCC1CC1)CC[C@H]1CCC[N@@H+]1C ZINC000162615727 384651695 /nfs/dbraw/zinc/65/16/95/384651695.db2.gz BOEXXRDDZKDPBR-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CN(CCC1CC1)CC[C@H]1CCC[N@H+]1C ZINC000162615727 384651703 /nfs/dbraw/zinc/65/17/03/384651703.db2.gz BOEXXRDDZKDPBR-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CN1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000044535267 384657850 /nfs/dbraw/zinc/65/78/50/384657850.db2.gz AWAOOBJZVPXAOG-LLVKDONJSA-N 1 3 224.373 2.180 20 0 BEADHO Cc1ccncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000162652205 384659147 /nfs/dbraw/zinc/65/91/47/384659147.db2.gz RLRUHEIVGGJSGG-GOOCMWNKSA-N 1 3 245.370 2.105 20 0 BEADHO C[C@@H](CN)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000556932273 384661298 /nfs/dbraw/zinc/66/12/98/384661298.db2.gz NEOSOOUHKHOTIB-RYUDHWBXSA-N 1 3 212.381 2.387 20 0 BEADHO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000357716674 384683569 /nfs/dbraw/zinc/68/35/69/384683569.db2.gz OWQBZLCFGJGDKC-NXEZZACHSA-N 1 3 220.307 2.139 20 0 BEADHO CCSCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300968117 384739748 /nfs/dbraw/zinc/73/97/48/384739748.db2.gz RNEGOWBMCJJMOR-NWDGAFQWSA-N 1 3 230.421 2.237 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2cnccc2c1 ZINC000647552275 384757390 /nfs/dbraw/zinc/75/73/90/384757390.db2.gz ORAZQCJKKCLVJT-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO FC1CCC(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000647553100 384764725 /nfs/dbraw/zinc/76/47/25/384764725.db2.gz AYZBKVNBDVNFKK-BPCQOVAHSA-N 1 3 228.355 2.246 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000105480648 384783627 /nfs/dbraw/zinc/78/36/27/384783627.db2.gz JPRHVNFZRMBVTD-GWCFXTLKSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000105480648 384783635 /nfs/dbraw/zinc/78/36/35/384783635.db2.gz JPRHVNFZRMBVTD-GWCFXTLKSA-N 1 3 238.400 2.486 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCNC1 ZINC000423332187 384801997 /nfs/dbraw/zinc/80/19/97/384801997.db2.gz HBTRLQJPUUISQR-MCIONIFRSA-N 1 3 222.376 2.154 20 0 BEADHO Cc1ccsc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126772245 384804925 /nfs/dbraw/zinc/80/49/25/384804925.db2.gz CDXIMQUNQSOJCG-WDEREUQCSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000126772245 384804930 /nfs/dbraw/zinc/80/49/30/384804930.db2.gz CDXIMQUNQSOJCG-WDEREUQCSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000126772245 384804938 /nfs/dbraw/zinc/80/49/38/384804938.db2.gz CDXIMQUNQSOJCG-WDEREUQCSA-N 1 3 224.373 2.226 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000423339582 384812874 /nfs/dbraw/zinc/81/28/74/384812874.db2.gz LJKZRWBWMQLAAZ-BFHYXJOUSA-N 1 3 224.392 2.400 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000423370325 384840985 /nfs/dbraw/zinc/84/09/85/384840985.db2.gz PLJKVYRNZLYMMK-UTUOFQBUSA-N 1 3 208.349 2.179 20 0 BEADHO Cc1cncc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423373472 384850136 /nfs/dbraw/zinc/85/01/36/384850136.db2.gz HMDAPCYOVQKEBV-FPMFFAJLSA-N 1 3 233.359 2.311 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCSCC1 ZINC000423392454 384854043 /nfs/dbraw/zinc/85/40/43/384854043.db2.gz QFIITLSECDGRNR-CYZMBNFOSA-N 1 3 242.432 2.378 20 0 BEADHO C(C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)CN1CCCC1 ZINC000403769133 384857115 /nfs/dbraw/zinc/85/71/15/384857115.db2.gz UASMNIPCDKMKJI-QLFBSQMISA-N 1 3 236.403 2.498 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000258953110 384955398 /nfs/dbraw/zinc/95/53/98/384955398.db2.gz KNUBDJATYIKWKN-ZIAGYGMSSA-N 1 3 218.344 2.007 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CCCCC1 ZINC000049710728 384897638 /nfs/dbraw/zinc/89/76/38/384897638.db2.gz NFMMOBFVRUZEOH-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CCCCC1 ZINC000049710728 384897641 /nfs/dbraw/zinc/89/76/41/384897641.db2.gz NFMMOBFVRUZEOH-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CCCCC1 ZINC000049710728 384897647 /nfs/dbraw/zinc/89/76/47/384897647.db2.gz NFMMOBFVRUZEOH-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H](C)N ZINC000423447064 384899716 /nfs/dbraw/zinc/89/97/16/384899716.db2.gz OSPSHXWFVPPGJI-RWEMILLDSA-N 1 3 222.307 2.138 20 0 BEADHO CC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000251613280 384918357 /nfs/dbraw/zinc/91/83/57/384918357.db2.gz DQMJOFRFMSIZNX-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251613280 384918371 /nfs/dbraw/zinc/91/83/71/384918371.db2.gz DQMJOFRFMSIZNX-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCc1c[nH]c2ccccc12 ZINC000258898325 384945416 /nfs/dbraw/zinc/94/54/16/384945416.db2.gz GDJRKYOWSKPSSZ-ZFWWWQNUSA-N 1 3 243.354 2.180 20 0 BEADHO Cc1ccc(CC[NH2+]C2CCNCC2)c(C)c1 ZINC000258871429 384947074 /nfs/dbraw/zinc/94/70/74/384947074.db2.gz FZSXZTBPWZBDBC-UHFFFAOYSA-N 1 3 232.371 2.188 20 0 BEADHO Cc1ccc(CCNC2CC[NH2+]CC2)c(C)c1 ZINC000258871429 384947078 /nfs/dbraw/zinc/94/70/78/384947078.db2.gz FZSXZTBPWZBDBC-UHFFFAOYSA-N 1 3 232.371 2.188 20 0 BEADHO C[C@@H](Cc1ccsc1)NC[C@H]1CCC[NH2+]C1 ZINC000087646883 384984138 /nfs/dbraw/zinc/98/41/38/384984138.db2.gz NATMZGHGHRGXAB-AAEUAGOBSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+]C[C@H]1CCCNC1 ZINC000087646883 384984140 /nfs/dbraw/zinc/98/41/40/384984140.db2.gz NATMZGHGHRGXAB-AAEUAGOBSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCO[C@@H]1C ZINC000226433457 385014181 /nfs/dbraw/zinc/01/41/81/385014181.db2.gz XCCWNUHXDJDGHV-YIYPIFLZSA-N 1 3 240.391 2.064 20 0 BEADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423550995 385024593 /nfs/dbraw/zinc/02/45/93/385024593.db2.gz IZQVWLCTPCVOSM-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccccc1C(F)(F)F ZINC000310411001 385041497 /nfs/dbraw/zinc/04/14/97/385041497.db2.gz MJIUIDQWENRKAX-VIFPVBQESA-N 1 3 246.276 2.390 20 0 BEADHO Cc1cc(F)ccc1CNCCC[NH+]1CCC1 ZINC000516663002 385121941 /nfs/dbraw/zinc/12/19/41/385121941.db2.gz BEGDKIAZJLJFTL-UHFFFAOYSA-N 1 3 236.334 2.320 20 0 BEADHO CCO[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C12CCCC2 ZINC000622045417 385085473 /nfs/dbraw/zinc/08/54/73/385085473.db2.gz SNQCDUCBHZPYMA-XQQFMLRXSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)C12CCCC2 ZINC000622045417 385085477 /nfs/dbraw/zinc/08/54/77/385085477.db2.gz SNQCDUCBHZPYMA-XQQFMLRXSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1ccoc1CN[C@@H](C)CCCC[NH3+] ZINC000308821351 385191659 /nfs/dbraw/zinc/19/16/59/385191659.db2.gz GRPDCVSNNQXOFH-NSHDSACASA-N 1 3 210.321 2.195 20 0 BEADHO C1CC12C[C@@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424373156 385154661 /nfs/dbraw/zinc/15/46/61/385154661.db2.gz IZVPWJXHJSGRMG-RVMXOQNASA-N 1 3 220.360 2.049 20 0 BEADHO C[C@H](c1cccnc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000110643860 385173496 /nfs/dbraw/zinc/17/34/96/385173496.db2.gz CBINASZVGXFCBM-NWDGAFQWSA-N 1 3 233.359 2.202 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]CC1=CCN(C)CC1 ZINC000308875319 385242138 /nfs/dbraw/zinc/24/21/38/385242138.db2.gz SCDHGTOLXHYREZ-NSHDSACASA-N 1 3 208.349 2.027 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1ccccc1F ZINC000308892986 385247334 /nfs/dbraw/zinc/24/73/34/385247334.db2.gz YNEOZPWJASLEJI-JTQLQIEISA-N 1 3 210.296 2.043 20 0 BEADHO C[C@@H](C[NH2+]CC1CCCCC1)CN(C)C ZINC000308953522 385307175 /nfs/dbraw/zinc/30/71/75/385307175.db2.gz YJIDGWCSFHICGR-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H](NCCCC[NH3+])c1ccc(F)cc1F ZINC000037714960 385309278 /nfs/dbraw/zinc/30/92/78/385309278.db2.gz DCEXBPAWNYUVMP-VIFPVBQESA-N 1 3 228.286 2.354 20 0 BEADHO CC(C)(C[N@@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000647490638 385282680 /nfs/dbraw/zinc/28/26/80/385282680.db2.gz FSMZCQTZCMQCDG-ZDUSSCGKSA-N 1 3 232.371 2.245 20 0 BEADHO CC(C)(C[N@H+]1CC[C@@H](CN)C1)c1ccccc1 ZINC000647490638 385282686 /nfs/dbraw/zinc/28/26/86/385282686.db2.gz FSMZCQTZCMQCDG-ZDUSSCGKSA-N 1 3 232.371 2.245 20 0 BEADHO CC(C)(CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000647490638 385282691 /nfs/dbraw/zinc/28/26/91/385282691.db2.gz FSMZCQTZCMQCDG-ZDUSSCGKSA-N 1 3 232.371 2.245 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000647490891 385282967 /nfs/dbraw/zinc/28/29/67/385282967.db2.gz WZPHRBDLOQOUKY-LBPRGKRZSA-N 1 3 241.338 2.015 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000228149014 385349002 /nfs/dbraw/zinc/34/90/02/385349002.db2.gz LLTNFRPXZNJWMF-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CC[N@@H+]1CC[C@H](N(C)CCSC)[C@H](C)C1 ZINC000178978704 385355113 /nfs/dbraw/zinc/35/51/13/385355113.db2.gz MGALPTRIMWGCIE-NEPJUHHUSA-N 1 3 230.421 2.012 20 0 BEADHO CC[N@H+]1CC[C@H](N(C)CCSC)[C@H](C)C1 ZINC000178978704 385355115 /nfs/dbraw/zinc/35/51/15/385355115.db2.gz MGALPTRIMWGCIE-NEPJUHHUSA-N 1 3 230.421 2.012 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228203207 385363087 /nfs/dbraw/zinc/36/30/87/385363087.db2.gz NPBQKRQRYPCKBR-UONOGXRCSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cccc(F)c1 ZINC000308972841 385328111 /nfs/dbraw/zinc/32/81/11/385328111.db2.gz HFXJGVYXYOVKKC-UWVGGRQHSA-N 1 3 210.296 2.071 20 0 BEADHO CCC1CC([NH2+]CC2=CCN(C)CC2)C1 ZINC000309169992 385447641 /nfs/dbraw/zinc/44/76/41/385447641.db2.gz KYTCLGLLONVEEQ-UHFFFAOYSA-N 1 3 208.349 2.027 20 0 BEADHO CCc1ccccc1C[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000309256910 385501885 /nfs/dbraw/zinc/50/18/85/385501885.db2.gz CLTRLSNCYUMISR-FZMZJTMJSA-N 1 3 218.344 2.171 20 0 BEADHO CCc1ccccc1C[N@H+]1CC[C@H](N)[C@@H]1C ZINC000309256910 385501889 /nfs/dbraw/zinc/50/18/89/385501889.db2.gz CLTRLSNCYUMISR-FZMZJTMJSA-N 1 3 218.344 2.171 20 0 BEADHO CC1(C)CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000309371250 385554427 /nfs/dbraw/zinc/55/44/27/385554427.db2.gz BZWVDASKOFNOOB-YPMHNXCESA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309371250 385554430 /nfs/dbraw/zinc/55/44/30/385554430.db2.gz BZWVDASKOFNOOB-YPMHNXCESA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000309371250 385554432 /nfs/dbraw/zinc/55/44/32/385554432.db2.gz BZWVDASKOFNOOB-YPMHNXCESA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CC1(C)C ZINC000309444125 385584188 /nfs/dbraw/zinc/58/41/88/385584188.db2.gz KXKPWEVJLZHUNY-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000309505138 385642586 /nfs/dbraw/zinc/64/25/86/385642586.db2.gz MVPOZFQZYKWCAB-XQHKEYJVSA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000309505138 385642592 /nfs/dbraw/zinc/64/25/92/385642592.db2.gz MVPOZFQZYKWCAB-XQHKEYJVSA-N 1 3 226.339 2.093 20 0 BEADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000309505138 385642601 /nfs/dbraw/zinc/64/26/01/385642601.db2.gz MVPOZFQZYKWCAB-XQHKEYJVSA-N 1 3 226.339 2.093 20 0 BEADHO Cc1cscc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000309515050 385654448 /nfs/dbraw/zinc/65/44/48/385654448.db2.gz YJBNZZNXAOZQOG-GWCFXTLKSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1cscc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000309515050 385654453 /nfs/dbraw/zinc/65/44/53/385654453.db2.gz YJBNZZNXAOZQOG-GWCFXTLKSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1csc(CN[C@@H](C)CCCC[NH3+])n1 ZINC000336688291 385708261 /nfs/dbraw/zinc/70/82/61/385708261.db2.gz LNAIYBDPCVISSA-VIFPVBQESA-N 1 3 227.377 2.059 20 0 BEADHO Cc1csc(CN[C@H](C)CCCC[NH3+])n1 ZINC000336688289 385709142 /nfs/dbraw/zinc/70/91/42/385709142.db2.gz LNAIYBDPCVISSA-SECBINFHSA-N 1 3 227.377 2.059 20 0 BEADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCNC1 ZINC000414856186 385710060 /nfs/dbraw/zinc/71/00/60/385710060.db2.gz OASNXIBQYITESJ-QWHCGFSZSA-N 1 3 212.381 2.258 20 0 BEADHO CNCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000414857550 385730889 /nfs/dbraw/zinc/73/08/89/385730889.db2.gz DWJOJOXAGRYJEV-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]CCCN[C@@H](C)Cc1ccccc1C ZINC000414858243 385734590 /nfs/dbraw/zinc/73/45/90/385734590.db2.gz IIPNKXKDILHYLT-ZDUSSCGKSA-N 1 3 220.360 2.125 20 0 BEADHO CNCCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000414858243 385734593 /nfs/dbraw/zinc/73/45/93/385734593.db2.gz IIPNKXKDILHYLT-ZDUSSCGKSA-N 1 3 220.360 2.125 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000488291046 385734683 /nfs/dbraw/zinc/73/46/83/385734683.db2.gz GVRPXNXETTZCDX-RDBSUJKOSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000488291046 385734687 /nfs/dbraw/zinc/73/46/87/385734687.db2.gz GVRPXNXETTZCDX-RDBSUJKOSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000488291046 385734689 /nfs/dbraw/zinc/73/46/89/385734689.db2.gz GVRPXNXETTZCDX-RDBSUJKOSA-N 1 3 222.376 2.060 20 0 BEADHO Cc1ccccc1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414859948 385738764 /nfs/dbraw/zinc/73/87/64/385738764.db2.gz UZYSJNSGBHXAHJ-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccccc1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414859943 385738834 /nfs/dbraw/zinc/73/88/34/385738834.db2.gz UZYSJNSGBHXAHJ-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CSC[C@H]1C ZINC000336698545 385753167 /nfs/dbraw/zinc/75/31/67/385753167.db2.gz ONXMONXTOICKEB-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CSC[C@H]1C ZINC000336698545 385753170 /nfs/dbraw/zinc/75/31/70/385753170.db2.gz ONXMONXTOICKEB-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000336698542 385753180 /nfs/dbraw/zinc/75/31/80/385753180.db2.gz ONXMONXTOICKEB-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CSC[C@@H]1C ZINC000336698542 385753184 /nfs/dbraw/zinc/75/31/84/385753184.db2.gz ONXMONXTOICKEB-NWDGAFQWSA-N 1 3 230.421 2.059 20 0 BEADHO C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCNC1 ZINC000414863895 385761185 /nfs/dbraw/zinc/76/11/85/385761185.db2.gz YKTLSCUCRXOUMG-BNOWGMLFSA-N 1 3 222.376 2.154 20 0 BEADHO Cc1cc(C)cc(C[NH2+]C2CCNCC2)c1 ZINC000335279905 385779501 /nfs/dbraw/zinc/77/95/01/385779501.db2.gz VDNXJBKGVLOIHJ-UHFFFAOYSA-N 1 3 218.344 2.145 20 0 BEADHO C[NH2+]CCCN[C@H](C)CCc1ccsc1 ZINC000414857301 385727105 /nfs/dbraw/zinc/72/71/05/385727105.db2.gz CNZNZNYHHMPWEF-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO CNCCC[NH2+][C@H](C)CCc1ccsc1 ZINC000414857301 385727112 /nfs/dbraw/zinc/72/71/12/385727112.db2.gz CNZNZNYHHMPWEF-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](C)[C@H]1C ZINC000336711669 385800358 /nfs/dbraw/zinc/80/03/58/385800358.db2.gz UNVDTPIAWDIJFD-UPJWGTAASA-N 1 3 212.381 2.351 20 0 BEADHO Cc1ccc(CCC[NH2+][C@@H]2CCN[C@H](C)C2)cn1 ZINC000414945428 385800499 /nfs/dbraw/zinc/80/04/99/385800499.db2.gz IHBOQVZPJSJIBO-UKRRQHHQSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1ccc(CCCN[C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC000414945428 385800507 /nfs/dbraw/zinc/80/05/07/385800507.db2.gz IHBOQVZPJSJIBO-UKRRQHHQSA-N 1 3 247.386 2.053 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647800412 385806598 /nfs/dbraw/zinc/80/65/98/385806598.db2.gz AVTYFZJRPLYGSL-APIJFGDWSA-N 1 3 230.355 2.260 20 0 BEADHO CC1([NH2+]C/C=C/c2ccccc2)CCNCC1 ZINC000414948146 385807429 /nfs/dbraw/zinc/80/74/29/385807429.db2.gz XTRSFXYFBDNDQO-VMPITWQZSA-N 1 3 230.355 2.432 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)CC(F)F ZINC000647800562 385807820 /nfs/dbraw/zinc/80/78/20/385807820.db2.gz FGYWEMBRTHSLFL-OUAUKWLOSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414948672 385809292 /nfs/dbraw/zinc/80/92/92/385809292.db2.gz MNMLGEDEPBQZFQ-NQBHXWOUSA-N 1 3 210.365 2.295 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H](C)CC(C)C ZINC000414953235 385831244 /nfs/dbraw/zinc/83/12/44/385831244.db2.gz JJNFWJDZKYGGKG-NWDGAFQWSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647804257 385840562 /nfs/dbraw/zinc/84/05/62/385840562.db2.gz MWCVXOWILPGAQL-JYBOHDQNSA-N 1 3 216.344 2.230 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CN ZINC000414870692 385849165 /nfs/dbraw/zinc/84/91/65/385849165.db2.gz CDUSHZDIAVOZLV-OCCSQVGLSA-N 1 3 220.360 2.192 20 0 BEADHO C[C@@H](C[NH2+]C/C=C\c1ccccc1)CN(C)C ZINC000336719685 385852257 /nfs/dbraw/zinc/85/22/57/385852257.db2.gz RRHKEBGDNZIGKA-YHAOYDPOSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@H](C[NH3+])CNC/C=C/c1ccc(F)cc1 ZINC000414874695 385886708 /nfs/dbraw/zinc/88/67/08/385886708.db2.gz IUSVSTPNYRQPGU-KXMPLOMGSA-N 1 3 222.307 2.023 20 0 BEADHO C[C@H](CC1CCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000414874828 385889019 /nfs/dbraw/zinc/88/90/19/385889019.db2.gz ZMJLQANOVLTIKJ-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000414874958 385891695 /nfs/dbraw/zinc/89/16/95/385891695.db2.gz TZSBUKVGZJMXCY-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1F ZINC000291718254 385902118 /nfs/dbraw/zinc/90/21/18/385902118.db2.gz METKFPRIBFABCS-NSHDSACASA-N 1 3 238.350 2.421 20 0 BEADHO CCC[NH2+]CCN[C@H]1CCC[C@H]1C(C)C ZINC000414876387 385906449 /nfs/dbraw/zinc/90/64/49/385906449.db2.gz VTHFQUSULYUELM-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CNCC1([NH3+])CCC1)c1ccccc1 ZINC000414876522 385908695 /nfs/dbraw/zinc/90/86/95/385908695.db2.gz LKRQUNISQKGIDS-GFCCVEGCSA-N 1 3 218.344 2.261 20 0 BEADHO CC(C)=CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000397769936 385913518 /nfs/dbraw/zinc/91/35/18/385913518.db2.gz UPRNRMIJVLQEFL-CHWSQXEVSA-N 1 3 210.365 2.463 20 0 BEADHO Cc1ccc(CN[C@@H](C)CCCC[NH3+])o1 ZINC000308973461 385924301 /nfs/dbraw/zinc/92/43/01/385924301.db2.gz BDAOBKRCINFKFA-JTQLQIEISA-N 1 3 210.321 2.195 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc3C2)C1 ZINC000250844219 385926523 /nfs/dbraw/zinc/92/65/23/385926523.db2.gz HLXQWGPADKOEAF-OAGGEKHMSA-N 1 3 244.382 2.403 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(F)cc1 ZINC000342101545 385927267 /nfs/dbraw/zinc/92/72/67/385927267.db2.gz LHCAHPOHNVAMMH-JTQLQIEISA-N 1 3 222.307 2.358 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)NCC1([NH3+])CCC1 ZINC000414872031 385861452 /nfs/dbraw/zinc/86/14/52/385861452.db2.gz DXPPPWMEKSHKNQ-NSHDSACASA-N 1 3 236.334 2.228 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414873519 385876894 /nfs/dbraw/zinc/87/68/94/385876894.db2.gz HKPQPRSXGJNWQC-CHWSQXEVSA-N 1 3 220.360 2.050 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCSCC1 ZINC000335019229 385977347 /nfs/dbraw/zinc/97/73/47/385977347.db2.gz LVQPYSWGVYQJFJ-DGCLKSJQSA-N 1 3 242.432 2.107 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000335019228 385977425 /nfs/dbraw/zinc/97/74/25/385977425.db2.gz LVQPYSWGVYQJFJ-AAEUAGOBSA-N 1 3 242.432 2.107 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCCCC1 ZINC000335023349 385985732 /nfs/dbraw/zinc/98/57/32/385985732.db2.gz GTFDJBWASBJQJE-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C\c1ccccc1 ZINC000414972700 385988553 /nfs/dbraw/zinc/98/85/53/385988553.db2.gz BISNYNKZMUZTJA-XURPKSDJSA-N 1 3 204.317 2.027 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C\c1ccccc1 ZINC000414972696 385988620 /nfs/dbraw/zinc/98/86/20/385988620.db2.gz BISNYNKZMUZTJA-OYVUYXNMSA-N 1 3 204.317 2.027 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414881050 385989649 /nfs/dbraw/zinc/98/96/49/385989649.db2.gz RWDUEMARWQFVED-KGYLQXTDSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](CNC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000414881365 385992153 /nfs/dbraw/zinc/99/21/53/385992153.db2.gz AHNVKGFZHBMUBF-SWLSCSKDSA-N 1 3 232.371 2.192 20 0 BEADHO Cc1ccc(CCNCC2([NH3+])CCC2)cc1 ZINC000342121631 385933250 /nfs/dbraw/zinc/93/32/50/385933250.db2.gz IOSGFQBFFILMKB-UHFFFAOYSA-N 1 3 218.344 2.009 20 0 BEADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CN(C)C ZINC000291742467 385935141 /nfs/dbraw/zinc/93/51/41/385935141.db2.gz PBONNNWXAZLDLT-NSHDSACASA-N 1 3 238.350 2.421 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 ZINC000414066980 385943130 /nfs/dbraw/zinc/94/31/30/385943130.db2.gz IMGYRMKSBHITDD-DGAVXFQQSA-N 1 3 224.392 2.352 20 0 BEADHO CCc1cccc(OCC[NH2+]CC2(N)CCC2)c1 ZINC000342141395 385943988 /nfs/dbraw/zinc/94/39/88/385943988.db2.gz UVXDBIJGIQFBSG-UHFFFAOYSA-N 1 3 248.370 2.099 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000251283022 385960940 /nfs/dbraw/zinc/96/09/40/385960940.db2.gz MXKZNYGZJMQMJP-YNEHKIRRSA-N 1 3 242.432 2.379 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1ccncc1F ZINC000338360475 385969655 /nfs/dbraw/zinc/96/96/55/385969655.db2.gz XVTBMPIJJFRVTD-NSHDSACASA-N 1 3 239.338 2.213 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000414880440 385970141 /nfs/dbraw/zinc/97/01/41/385970141.db2.gz QRDSVZDVXNIXHA-VXGBXAGGSA-N 1 3 238.350 2.331 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000335015540 385971278 /nfs/dbraw/zinc/97/12/78/385971278.db2.gz ZDMBAUQENDMVDX-QBHFIFKDSA-N 1 3 210.365 2.281 20 0 BEADHO CCC[C@@H](C)C[NH2+][C@H]1CCNCC1(C)C ZINC000414973970 385998572 /nfs/dbraw/zinc/99/85/72/385998572.db2.gz NGSLSTYQESIHKN-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C\c1ccccc1OC ZINC000414976296 386015503 /nfs/dbraw/zinc/01/55/03/386015503.db2.gz HXAYDWSJXPTKOR-WOLRVDTOSA-N 1 3 234.343 2.035 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(C)cc1C ZINC000414975428 386017055 /nfs/dbraw/zinc/01/70/55/386017055.db2.gz GMFAQTMDGHOPAA-ZDUSSCGKSA-N 1 3 206.333 2.130 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000414185504 386024799 /nfs/dbraw/zinc/02/47/99/386024799.db2.gz OTDAYPUSAYMWGX-KBPBESRZSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccnc1 ZINC000414185504 386024804 /nfs/dbraw/zinc/02/48/04/386024804.db2.gz OTDAYPUSAYMWGX-KBPBESRZSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1nc2ccc(CNC[C@@H](C)C[NH3+])cc2s1 ZINC000414883980 386032627 /nfs/dbraw/zinc/03/26/27/386032627.db2.gz VJYDIORANGMZCF-VIFPVBQESA-N 1 3 249.383 2.289 20 0 BEADHO C[C@H](C[NH2+]C/C=C/c1ccccc1)CN(C)C ZINC000291762388 386040498 /nfs/dbraw/zinc/04/04/98/386040498.db2.gz RRHKEBGDNZIGKA-DNGMOHDESA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cc(C[NH2+]C[C@@H](N)C2CC2)ccc1Cl ZINC000414885315 386055618 /nfs/dbraw/zinc/05/56/18/386055618.db2.gz GJKLYADDYDQSMX-CYBMUJFWSA-N 1 3 238.762 2.475 20 0 BEADHO C[C@H](CC[NH3+])NCc1ccc(C2CC2)cc1 ZINC000414889189 386111670 /nfs/dbraw/zinc/11/16/70/386111670.db2.gz GAHRPVHLBNCDJA-LLVKDONJSA-N 1 3 218.344 2.391 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccccc1F ZINC000414981887 386062192 /nfs/dbraw/zinc/06/21/92/386062192.db2.gz CKDGMYSKLQFRNZ-DGCLKSJQSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@H]([NH3+])CNC[C@H](C)c1ccc(F)cc1 ZINC000414982367 386066062 /nfs/dbraw/zinc/06/60/62/386066062.db2.gz DBRDVLLKQWBFCN-GWCFXTLKSA-N 1 3 224.323 2.256 20 0 BEADHO Cc1ccccc1C[C@H](C)NC[C@H]([NH3+])C1CC1 ZINC000414885829 386069637 /nfs/dbraw/zinc/06/96/37/386069637.db2.gz GTHYTZFCPBHHJO-WFASDCNBSA-N 1 3 232.371 2.253 20 0 BEADHO Cc1ccccc1C[C@@H](C)NC[C@@H]([NH3+])C1CC1 ZINC000414885823 386069919 /nfs/dbraw/zinc/06/99/19/386069919.db2.gz GTHYTZFCPBHHJO-IUODEOHRSA-N 1 3 232.371 2.253 20 0 BEADHO C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000414653886 386072807 /nfs/dbraw/zinc/07/28/07/386072807.db2.gz FIAUZWUGQSRHIK-TUUVXOQKSA-N 1 3 244.382 2.459 20 0 BEADHO COc1ccccc1/C=C/C[NH2+]C[C@H](N)C1CC1 ZINC000414886609 386081487 /nfs/dbraw/zinc/08/14/87/386081487.db2.gz CQQICJVKAZVDDF-YVZNUBBCSA-N 1 3 246.354 2.035 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414984518 386094456 /nfs/dbraw/zinc/09/44/56/386094456.db2.gz UXTMLCPJWVWOGK-OOPCZODUSA-N 1 3 222.307 2.166 20 0 BEADHO C[C@H](CNC[C@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000414888494 386098498 /nfs/dbraw/zinc/09/84/98/386098498.db2.gz JWVJCZSSWLFINI-YGRLFVJLSA-N 1 3 236.334 2.256 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000414985673 386099214 /nfs/dbraw/zinc/09/92/14/386099214.db2.gz WMKNQBBGSSGBGK-AWEZNQCLSA-N 1 3 243.354 2.370 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000340260978 386147189 /nfs/dbraw/zinc/14/71/89/386147189.db2.gz UDZNQAUVUAVVIO-AVGNSLFASA-N 1 3 242.407 2.262 20 0 BEADHO COC(C)(C)[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000340260978 386147194 /nfs/dbraw/zinc/14/71/94/386147194.db2.gz UDZNQAUVUAVVIO-AVGNSLFASA-N 1 3 242.407 2.262 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000340260985 386148340 /nfs/dbraw/zinc/14/83/40/386148340.db2.gz UDZNQAUVUAVVIO-XQQFMLRXSA-N 1 3 242.407 2.262 20 0 BEADHO COC(C)(C)[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000340260985 386148349 /nfs/dbraw/zinc/14/83/49/386148349.db2.gz UDZNQAUVUAVVIO-XQQFMLRXSA-N 1 3 242.407 2.262 20 0 BEADHO C[C@@H](CCc1ccsc1)NC[C@H]([NH3+])C1CC1 ZINC000414891861 386148492 /nfs/dbraw/zinc/14/84/92/386148492.db2.gz OTDSKJMVJCQRJE-GWCFXTLKSA-N 1 3 238.400 2.396 20 0 BEADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414349998 386150414 /nfs/dbraw/zinc/15/04/14/386150414.db2.gz YUFCXKYZYQPTRU-UMSGYPCISA-N 1 3 234.343 2.208 20 0 BEADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414349998 386150419 /nfs/dbraw/zinc/15/04/19/386150419.db2.gz YUFCXKYZYQPTRU-UMSGYPCISA-N 1 3 234.343 2.208 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CCNC1 ZINC000414892767 386151821 /nfs/dbraw/zinc/15/18/21/386151821.db2.gz YIYUXJRZJZTJPX-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCNC1 ZINC000414893253 386154339 /nfs/dbraw/zinc/15/43/39/386154339.db2.gz YYHYHOCMTMXVOI-UKRRQHHQSA-N 1 3 232.371 2.207 20 0 BEADHO [NH3+]CCCN1CCC(OC2CCCCC2)CC1 ZINC000414688049 386179883 /nfs/dbraw/zinc/17/98/83/386179883.db2.gz CTMOZOUKZAFQKV-UHFFFAOYSA-N 1 3 240.391 2.149 20 0 BEADHO Cc1ccccc1[C@@H]1CCN(CCC[NH3+])C1 ZINC000414692770 386183647 /nfs/dbraw/zinc/18/36/47/386183647.db2.gz LPNMWSDMFASMGO-CYBMUJFWSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccccc1[C@@H]1CC[N@H+](CCCN)C1 ZINC000414692770 386183649 /nfs/dbraw/zinc/18/36/49/386183649.db2.gz LPNMWSDMFASMGO-CYBMUJFWSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccccc1[C@@H]1CC[N@@H+](CCCN)C1 ZINC000414692770 386183651 /nfs/dbraw/zinc/18/36/51/386183651.db2.gz LPNMWSDMFASMGO-CYBMUJFWSA-N 1 3 218.344 2.133 20 0 BEADHO CCN(CCc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647879835 386184813 /nfs/dbraw/zinc/18/48/13/386184813.db2.gz IGAFNZOUDUBCQB-LBPRGKRZSA-N 1 3 238.400 2.222 20 0 BEADHO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCCN ZINC000414691619 386187127 /nfs/dbraw/zinc/18/71/27/386187127.db2.gz JXPDYPDNUAMDJT-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccccc1C[C@H]1CCC[N@H+]1CCCN ZINC000414691619 386187131 /nfs/dbraw/zinc/18/71/31/386187131.db2.gz JXPDYPDNUAMDJT-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccccc1C[C@H]1CCCN1CCC[NH3+] ZINC000414691619 386187137 /nfs/dbraw/zinc/18/71/37/386187137.db2.gz JXPDYPDNUAMDJT-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO C[C@@H](CCN)[NH2+][C@@H](C)Cc1ccccc1F ZINC000414896747 386207864 /nfs/dbraw/zinc/20/78/64/386207864.db2.gz PUCCQSACXONEEU-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](CC[NH3+])N[C@@H](C)Cc1ccccc1F ZINC000414896747 386207871 /nfs/dbraw/zinc/20/78/71/386207871.db2.gz PUCCQSACXONEEU-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO Cc1cccc(NC2CCN(CCC[NH3+])CC2)c1 ZINC000414703745 386208174 /nfs/dbraw/zinc/20/81/74/386208174.db2.gz MSUALGRFKKDWIN-UHFFFAOYSA-N 1 3 247.386 2.220 20 0 BEADHO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCN ZINC000414702791 386210601 /nfs/dbraw/zinc/21/06/01/386210601.db2.gz LXCUNFJNPDJMBZ-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCN ZINC000414702791 386210607 /nfs/dbraw/zinc/21/06/07/386210607.db2.gz LXCUNFJNPDJMBZ-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO C[C@H]1C[C@@H](c2ccccc2)CN1CCC[NH3+] ZINC000414702791 386210612 /nfs/dbraw/zinc/21/06/12/386210612.db2.gz LXCUNFJNPDJMBZ-GXTWGEPZSA-N 1 3 218.344 2.213 20 0 BEADHO N[C@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000414897806 386211954 /nfs/dbraw/zinc/21/19/54/386211954.db2.gz RYECUAVLSHQSCZ-CQSZACIVSA-N 1 3 241.338 2.062 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc(OCC2CC2)cc1 ZINC000414897564 386212853 /nfs/dbraw/zinc/21/28/53/386212853.db2.gz RPCXVVRORTZNKX-LBPRGKRZSA-N 1 3 248.370 2.302 20 0 BEADHO [NH3+]CCCN(Cc1ccc(F)cc1)CC1CC1 ZINC000414707055 386216463 /nfs/dbraw/zinc/21/64/63/386216463.db2.gz OZXQYTOOUICRNE-UHFFFAOYSA-N 1 3 236.334 2.387 20 0 BEADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCC[NH3+] ZINC000414707118 386217418 /nfs/dbraw/zinc/21/74/18/386217418.db2.gz PBKJOHPPOVUFOY-YPMHNXCESA-N 1 3 236.334 2.352 20 0 BEADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCN ZINC000414707118 386217425 /nfs/dbraw/zinc/21/74/25/386217425.db2.gz PBKJOHPPOVUFOY-YPMHNXCESA-N 1 3 236.334 2.352 20 0 BEADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCN ZINC000414707118 386217429 /nfs/dbraw/zinc/21/74/29/386217429.db2.gz PBKJOHPPOVUFOY-YPMHNXCESA-N 1 3 236.334 2.352 20 0 BEADHO CCN(CC)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000131886937 386227140 /nfs/dbraw/zinc/22/71/40/386227140.db2.gz LUKPNPRVMJHJRW-HUUCEWRRSA-N 1 3 247.386 2.063 20 0 BEADHO CCN(CC)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000131886549 386227940 /nfs/dbraw/zinc/22/79/40/386227940.db2.gz LUKPNPRVMJHJRW-LSDHHAIUSA-N 1 3 247.386 2.063 20 0 BEADHO CCCc1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000414898764 386231852 /nfs/dbraw/zinc/23/18/52/386231852.db2.gz TYNQENSRUYTFCE-LBPRGKRZSA-N 1 3 220.360 2.466 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000415003366 386255972 /nfs/dbraw/zinc/25/59/72/386255972.db2.gz FVSTXYVOKXASRJ-PLEIZWCUSA-N 1 3 204.317 2.025 20 0 BEADHO CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](C)N ZINC000647885812 386286288 /nfs/dbraw/zinc/28/62/88/386286288.db2.gz SPMDJOGBIFSYLQ-RISCZKNCSA-N 1 3 218.344 2.343 20 0 BEADHO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)N ZINC000647885812 386286290 /nfs/dbraw/zinc/28/62/90/386286290.db2.gz SPMDJOGBIFSYLQ-RISCZKNCSA-N 1 3 218.344 2.343 20 0 BEADHO C[C@@H]1C[C@H](c2ccccc2)CN1C[C@@H]1CC[NH2+]C1 ZINC000647885882 386297843 /nfs/dbraw/zinc/29/78/43/386297843.db2.gz DRFTWKROMNKOCK-FMKPAKJESA-N 1 3 244.382 2.474 20 0 BEADHO Cc1cc(CN[C@@H](C)CC[NH3+])cc2cccnc12 ZINC000414901732 386309790 /nfs/dbraw/zinc/30/97/90/386309790.db2.gz XJXKHTTXYOPWGE-LBPRGKRZSA-N 1 3 243.354 2.370 20 0 BEADHO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCN ZINC000414740224 386330112 /nfs/dbraw/zinc/33/01/12/386330112.db2.gz JRCHLIUSXOGVSI-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CCCN ZINC000414740224 386330120 /nfs/dbraw/zinc/33/01/20/386330120.db2.gz JRCHLIUSXOGVSI-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414909752 386414881 /nfs/dbraw/zinc/41/48/81/386414881.db2.gz CJRMHTJPEXAJOL-XBFCOCLRSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCNCC1 ZINC000414775836 386476230 /nfs/dbraw/zinc/47/62/30/386476230.db2.gz DLDPARLLAHHUMM-VIFPVBQESA-N 1 3 238.297 2.449 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345927 386488522 /nfs/dbraw/zinc/48/85/22/386488522.db2.gz YMAJJKXIYJALCK-JHJVBQTASA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345927 386488526 /nfs/dbraw/zinc/48/85/26/386488526.db2.gz YMAJJKXIYJALCK-JHJVBQTASA-N 1 3 220.360 2.003 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC12CC2 ZINC000417345927 386488530 /nfs/dbraw/zinc/48/85/30/386488530.db2.gz YMAJJKXIYJALCK-JHJVBQTASA-N 1 3 220.360 2.003 20 0 BEADHO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)[C@H](C)N ZINC000415014989 386500698 /nfs/dbraw/zinc/50/06/98/386500698.db2.gz MQUADZKUHNETQZ-RWCMCFKCSA-N 1 3 240.297 2.303 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+]C1CCNCC1 ZINC000414781971 386501244 /nfs/dbraw/zinc/50/12/44/386501244.db2.gz OBUJDYVVTISBIB-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCNC1(C)C ZINC000415050430 386504975 /nfs/dbraw/zinc/50/49/75/386504975.db2.gz YRZGXQANNBBQKH-NWDGAFQWSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](N[C@@H]1Cc2ccc(Cl)cc2C1)[C@H](C)[NH3+] ZINC000415019164 386506347 /nfs/dbraw/zinc/50/63/47/386506347.db2.gz RPIWFSXSZPDEMU-IGJMFERPSA-N 1 3 238.762 2.133 20 0 BEADHO CC(C)[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415020401 386510646 /nfs/dbraw/zinc/51/06/46/386510646.db2.gz ATTYKMLYHJQJJJ-WCVJEAGWSA-N 1 3 244.382 2.234 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000519643957 386516124 /nfs/dbraw/zinc/51/61/24/386516124.db2.gz WHVUNHNLEUTACD-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC000415029457 386516485 /nfs/dbraw/zinc/51/64/85/386516485.db2.gz CSSHECHYVGKWQS-ITGUQSILSA-N 1 3 236.403 2.399 20 0 BEADHO c1ccc([C@@H]2CCC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415029296 386517163 /nfs/dbraw/zinc/51/71/63/386517163.db2.gz CMFLEJKPDFSBGC-ARKGTOAJSA-N 1 3 242.366 2.130 20 0 BEADHO C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031613 386518540 /nfs/dbraw/zinc/51/85/40/386518540.db2.gz GKEWVCYJBHNBCC-BNDIWNMDSA-N 1 3 222.376 2.009 20 0 BEADHO CC[C@@H](C)C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415032416 386518871 /nfs/dbraw/zinc/51/88/71/386518871.db2.gz AKKKHPBHVHISAH-VHDGCEQUSA-N 1 3 232.371 2.378 20 0 BEADHO CC[C@@H]1CCC[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415042159 386530347 /nfs/dbraw/zinc/53/03/47/386530347.db2.gz SDVKEIAZTVTFIK-POQQGIQPSA-N 1 3 222.376 2.010 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC/C=C\c1ccccc1 ZINC000414787879 386530319 /nfs/dbraw/zinc/53/03/19/386530319.db2.gz CVORLGAERQDORQ-PYMSSDGJSA-N 1 3 230.355 2.417 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC000415037388 386524934 /nfs/dbraw/zinc/52/49/34/386524934.db2.gz MGPYEKUCTOZQAY-ZJUUUORDSA-N 1 3 240.297 2.182 20 0 BEADHO CCC[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415039269 386527005 /nfs/dbraw/zinc/52/70/05/386527005.db2.gz PBEVNRXVTBMGRZ-WCVJEAGWSA-N 1 3 244.382 2.378 20 0 BEADHO CCCc1cccc(C[NH2+]C2CCNCC2)c1 ZINC000414787579 386527778 /nfs/dbraw/zinc/52/77/78/386527778.db2.gz ZFEOEDOUFMANFB-UHFFFAOYSA-N 1 3 232.371 2.481 20 0 BEADHO Cc1cccc(C)c1CCNCC(C)(C)[NH3+] ZINC000415077075 386576980 /nfs/dbraw/zinc/57/69/80/386576980.db2.gz DQQFMVLXBQHOLG-UHFFFAOYSA-N 1 3 220.360 2.173 20 0 BEADHO C[C@H](C[NH3+])NC[C@H](C)c1cccc(Cl)c1 ZINC000414921453 386585446 /nfs/dbraw/zinc/58/54/46/386585446.db2.gz BKZZARXNULKGQO-VHSXEESVSA-N 1 3 226.751 2.380 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414800631 386588360 /nfs/dbraw/zinc/58/83/60/386588360.db2.gz SIVZXORJFUHQCG-KKUMJFAQSA-N 1 3 232.371 2.363 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+]C[C@@H]1CCCNC1 ZINC000415081652 386591040 /nfs/dbraw/zinc/59/10/40/386591040.db2.gz NBSFGMNTRZANOQ-UKRRQHHQSA-N 1 3 244.382 2.306 20 0 BEADHO CC(C)([NH3+])CNCCCc1cccc(F)c1 ZINC000415083832 386596023 /nfs/dbraw/zinc/59/60/23/386596023.db2.gz FURUVRDVIUMTGN-UHFFFAOYSA-N 1 3 224.323 2.085 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415055578 386538014 /nfs/dbraw/zinc/53/80/14/386538014.db2.gz GKEWVCYJBHNBCC-IEECTRCBSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]CCCNC1CC1 ZINC000415063566 386545829 /nfs/dbraw/zinc/54/58/29/386545829.db2.gz AGUDHQFLUXMMJB-SECBINFHSA-N 1 3 238.297 2.449 20 0 BEADHO CC(C)C[C@@H](C)CN[C@@H]1CCCC[NH2+]C1 ZINC000415069131 386551166 /nfs/dbraw/zinc/55/11/66/386551166.db2.gz GCNWHMOJKUQPEZ-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO CC1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000415069264 386551345 /nfs/dbraw/zinc/55/13/45/386551345.db2.gz OPSPVZOOYBNHSQ-WXRRBKDZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CCC1CC1)N[C@H]1CCCC[NH2+]C1 ZINC000415070319 386554093 /nfs/dbraw/zinc/55/40/93/386554093.db2.gz IFEDAHNWTXPLKG-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CCC(F)(F)F)N[C@@H]1CCCC[NH2+]C1 ZINC000415070980 386554252 /nfs/dbraw/zinc/55/42/52/386554252.db2.gz JJHGOIBKIDWTPA-NXEZZACHSA-N 1 3 238.297 2.449 20 0 BEADHO COCc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414795561 386573641 /nfs/dbraw/zinc/57/36/41/386573641.db2.gz MYOITAUEVJOTMQ-GJZGRUSLSA-N 1 3 248.370 2.050 20 0 BEADHO CCC([NH3+])(CC)CNCCCc1ccc(C)nc1 ZINC000414808938 386624867 /nfs/dbraw/zinc/62/48/67/386624867.db2.gz LNRXTJOCAIGTRF-UHFFFAOYSA-N 1 3 249.402 2.430 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)C1CCC(F)(F)CC1 ZINC000335498953 386625735 /nfs/dbraw/zinc/62/57/35/386625735.db2.gz ZQVFLSCSDVMWDP-GXSJLCMTSA-N 1 3 232.318 2.152 20 0 BEADHO c1cc2c(o1)CCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000335500123 386627811 /nfs/dbraw/zinc/62/78/11/386627811.db2.gz MMPUFSHMHZTMHH-CYBMUJFWSA-N 1 3 232.327 2.166 20 0 BEADHO C[C@@H](CCCc1cccnc1)[NH2+]C1CCNCC1 ZINC000415105947 386628573 /nfs/dbraw/zinc/62/85/73/386628573.db2.gz GWYAUOSAPTUNJC-ZDUSSCGKSA-N 1 3 247.386 2.134 20 0 BEADHO CC(C)c1ccc(CCN[C@H](C)C[NH3+])cc1 ZINC000414924813 386630505 /nfs/dbraw/zinc/63/05/05/386630505.db2.gz HPZRDDCWYAITTH-GFCCVEGCSA-N 1 3 220.360 2.289 20 0 BEADHO CCOC[C@H](C)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414813144 386641748 /nfs/dbraw/zinc/64/17/48/386641748.db2.gz SLCCZAAYZUHQKH-RYUDHWBXSA-N 1 3 236.359 2.221 20 0 BEADHO CC(C)[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1 ZINC000414805463 386603299 /nfs/dbraw/zinc/60/32/99/386603299.db2.gz YNSPLXAMGPMCAL-FZMZJTMJSA-N 1 3 238.350 2.330 20 0 BEADHO C[C@H](CCc1cccc(F)c1)NCC(C)(C)[NH3+] ZINC000414801675 386604173 /nfs/dbraw/zinc/60/41/73/386604173.db2.gz JOOPGVWXRCQDMN-LLVKDONJSA-N 1 3 238.350 2.474 20 0 BEADHO CCC(CC)(CCO)C[NH2+]CCNC(C)(C)C ZINC000415087085 386606558 /nfs/dbraw/zinc/60/65/58/386606558.db2.gz TVXAMXABDGDDLC-UHFFFAOYSA-N 1 3 244.423 2.153 20 0 BEADHO CC(C)(N)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414804656 386609503 /nfs/dbraw/zinc/60/95/03/386609503.db2.gz NVLWFIPLIIHBPI-ARJAWSKDSA-N 1 3 222.307 2.166 20 0 BEADHO Cc1ccccc1OCCCNCC(C)(C)[NH3+] ZINC000415089989 386610197 /nfs/dbraw/zinc/61/01/97/386610197.db2.gz ZMIOFVPCCJACJL-UHFFFAOYSA-N 1 3 236.359 2.091 20 0 BEADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)C1CCSCC1 ZINC000335493673 386614831 /nfs/dbraw/zinc/61/48/31/386614831.db2.gz CCVAPOQULHFZFQ-WCQYABFASA-N 1 3 242.432 2.250 20 0 BEADHO CCCCN(C[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911735 386655344 /nfs/dbraw/zinc/65/53/44/386655344.db2.gz QNSXWTSVCPOCQX-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO C1CC12CCC(N[C@@H]1CCCC[NH2+]C1)CC2 ZINC000335495828 386618763 /nfs/dbraw/zinc/61/87/63/386618763.db2.gz NQKYYESPMCRVBP-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN ZINC000415113143 386619055 /nfs/dbraw/zinc/61/90/55/386619055.db2.gz SMWJNVYDPZNWPQ-CQSZACIVSA-N 1 3 238.350 2.331 20 0 BEADHO Cc1ccccc1C[C@H](C)NCC[C@H](C)[NH3+] ZINC000414820166 386665788 /nfs/dbraw/zinc/66/57/88/386665788.db2.gz IWRYBEYWNNADIK-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+]CC[C@H](C)N ZINC000414820166 386665795 /nfs/dbraw/zinc/66/57/95/386665795.db2.gz IWRYBEYWNNADIK-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO C[NH2+]CCNC[C@@H](C)CC1CCCCC1 ZINC000414822759 386670969 /nfs/dbraw/zinc/67/09/69/386670969.db2.gz GXMACWSEFJHIJO-LBPRGKRZSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@H](CCc1ccsc1)[NH2+]CC[C@H](C)N ZINC000414823928 386679936 /nfs/dbraw/zinc/67/99/36/386679936.db2.gz PRMDSLAEUYYYDI-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H](CCc1ccsc1)NCC[C@H](C)[NH3+] ZINC000414823928 386679941 /nfs/dbraw/zinc/67/99/41/386679941.db2.gz PRMDSLAEUYYYDI-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO CC[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000302380965 386710839 /nfs/dbraw/zinc/71/08/39/386710839.db2.gz IGZVMKUIJDWMAZ-QJPTWQEYSA-N 1 3 246.345 2.481 20 0 BEADHO C[NH2+]C[C@H](C)CNC[C@H](C)c1ccccc1 ZINC000414830792 386710842 /nfs/dbraw/zinc/71/08/42/386710842.db2.gz CKNKZECGQBOBLQ-STQMWFEESA-N 1 3 220.360 2.235 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000414830792 386710850 /nfs/dbraw/zinc/71/08/50/386710850.db2.gz CKNKZECGQBOBLQ-STQMWFEESA-N 1 3 220.360 2.235 20 0 BEADHO C[C@H]([NH3+])CCNCCSCc1ccccc1 ZINC000414824826 386684232 /nfs/dbraw/zinc/68/42/32/386684232.db2.gz RMHMKVYNFZEUJV-LBPRGKRZSA-N 1 3 238.400 2.247 20 0 BEADHO C[C@H]([NH3+])CCNCc1ccc(OCC2CC2)cc1 ZINC000414823440 386684962 /nfs/dbraw/zinc/68/49/62/386684962.db2.gz OQWIPDFSWXUVCZ-LBPRGKRZSA-N 1 3 248.370 2.302 20 0 BEADHO CNCCC[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000394834711 386691867 /nfs/dbraw/zinc/69/18/67/386691867.db2.gz QDKDOBKEPNTEEC-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000394834711 386691875 /nfs/dbraw/zinc/69/18/75/386691875.db2.gz QDKDOBKEPNTEEC-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCCC[C@H]1C ZINC000394834711 386691877 /nfs/dbraw/zinc/69/18/77/386691877.db2.gz QDKDOBKEPNTEEC-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1cccc(C)c1CNC[C@H]1CCC[NH2+]C1 ZINC000414826111 386694268 /nfs/dbraw/zinc/69/42/68/386694268.db2.gz INCDBCIHKDPNQW-AWEZNQCLSA-N 1 3 232.371 2.393 20 0 BEADHO COC[C@@H](CC(C)C)N[C@H](C[NH3+])CC(C)C ZINC000414836712 386731764 /nfs/dbraw/zinc/73/17/64/386731764.db2.gz IXIFYKWKYDTXIB-QWHCGFSZSA-N 1 3 230.396 2.011 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)CCN1 ZINC000335540277 386719127 /nfs/dbraw/zinc/71/91/27/386719127.db2.gz ZZWWUXWHZMFRNT-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H]1CCCNC1 ZINC000414838713 386740173 /nfs/dbraw/zinc/74/01/73/386740173.db2.gz XGKANYORDRISDH-NXEZZACHSA-N 1 3 238.297 2.307 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000414834128 386721640 /nfs/dbraw/zinc/72/16/40/386721640.db2.gz GYEDKRQJUXPWEQ-UMSGYPCISA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000414834265 386723238 /nfs/dbraw/zinc/72/32/38/386723238.db2.gz HFQVSLXUGMIPFA-KBPBESRZSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)CCc1ccccc1 ZINC000414834265 386723243 /nfs/dbraw/zinc/72/32/43/386723243.db2.gz HFQVSLXUGMIPFA-KBPBESRZSA-N 1 3 234.387 2.453 20 0 BEADHO CC[NH2+]CCN[C@@H](CC)C[C@@H](C)CC ZINC000414835565 386727894 /nfs/dbraw/zinc/72/78/94/386727894.db2.gz VDOKHXVVPRGKOV-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO c1ccc2c(c1)CN(CCC1CC[NH2+]CC1)C2 ZINC000050911431 386755828 /nfs/dbraw/zinc/75/58/28/386755828.db2.gz PCHLHGLFZGWBGU-UHFFFAOYSA-N 1 3 230.355 2.392 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414843942 386767080 /nfs/dbraw/zinc/76/70/80/386767080.db2.gz KINJMZCTXWBCDU-ZJUUUORDSA-N 1 3 238.297 2.307 20 0 BEADHO CN1CC=C(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000334787535 386848680 /nfs/dbraw/zinc/84/86/80/386848680.db2.gz RVHSKCZEEWQOST-UHFFFAOYSA-N 1 3 220.360 2.171 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357842140 386854709 /nfs/dbraw/zinc/85/47/09/386854709.db2.gz ATSPRGWKKWSTLZ-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000357842140 386854713 /nfs/dbraw/zinc/85/47/13/386854713.db2.gz ATSPRGWKKWSTLZ-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1cncc([C@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000293741742 386872667 /nfs/dbraw/zinc/87/26/67/386872667.db2.gz QRXGDMFVCLCEPS-STQMWFEESA-N 1 3 235.375 2.238 20 0 BEADHO c1ccc2c(c1)nccc2N[C@H]1CC[NH2+]C1 ZINC000052094011 386875019 /nfs/dbraw/zinc/87/50/19/386875019.db2.gz HBFJSDBVMBKXLQ-JTQLQIEISA-N 1 3 213.284 2.009 20 0 BEADHO Cc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000334840183 386884303 /nfs/dbraw/zinc/88/43/03/386884303.db2.gz ANJOCCQFQMMCHJ-UHFFFAOYSA-N 1 3 218.344 2.227 20 0 BEADHO Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000334847489 386895765 /nfs/dbraw/zinc/89/57/65/386895765.db2.gz USNAYYCZUGVFIF-STQMWFEESA-N 1 3 236.334 2.494 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CCN1 ZINC000414941965 386899193 /nfs/dbraw/zinc/89/91/93/386899193.db2.gz DCTDMQHBUYGENN-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]C1(CN[C@H]2CCc3ccccc3C2)CCC1 ZINC000334856139 386909408 /nfs/dbraw/zinc/90/94/08/386909408.db2.gz GHHKDFHYYBZQKT-AWEZNQCLSA-N 1 3 230.355 2.015 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@H]2C)cc1C ZINC000334857332 386909483 /nfs/dbraw/zinc/90/94/83/386909483.db2.gz NEPOYLPQYAEHLU-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCNC[C@H]2C)c1 ZINC000334859368 386912583 /nfs/dbraw/zinc/91/25/83/386912583.db2.gz YSEFFPUZBZLVNS-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000093977907 386927321 /nfs/dbraw/zinc/92/73/21/386927321.db2.gz WFDMGXKNUNUYAG-RAIGVLPGSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@]1(C[NH2+]C2Cc3ccccc3C2)CCCNC1 ZINC000334875840 386936580 /nfs/dbraw/zinc/93/65/80/386936580.db2.gz UQXIMQDZTANDCN-INIZCTEOSA-N 1 3 244.382 2.133 20 0 BEADHO C[C@]1(CNC2Cc3ccccc3C2)CCC[NH2+]C1 ZINC000334875840 386936587 /nfs/dbraw/zinc/93/65/87/386936587.db2.gz UQXIMQDZTANDCN-INIZCTEOSA-N 1 3 244.382 2.133 20 0 BEADHO CC(C)(C)C[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000332018338 386942871 /nfs/dbraw/zinc/94/28/71/386942871.db2.gz QNTCPCDHUQXRPN-XQQFMLRXSA-N 1 3 242.407 2.033 20 0 BEADHO CS[C@@H]1CC[C@H]1NCCC[N@H+](C)C(C)C ZINC000425359398 386978172 /nfs/dbraw/zinc/97/81/72/386978172.db2.gz PXXPEUNPIYTMNL-VXGBXAGGSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1NCCC[N@@H+](C)C(C)C ZINC000425359398 386978178 /nfs/dbraw/zinc/97/81/78/386978178.db2.gz PXXPEUNPIYTMNL-VXGBXAGGSA-N 1 3 230.421 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]CCCN(C)C(C)C ZINC000425359398 386978181 /nfs/dbraw/zinc/97/81/81/386978181.db2.gz PXXPEUNPIYTMNL-VXGBXAGGSA-N 1 3 230.421 2.200 20 0 BEADHO C(C1CC1)[NH+](CC1CC1)C[C@@H]1CCCNC1 ZINC000070064249 387043599 /nfs/dbraw/zinc/04/35/99/387043599.db2.gz GBPRPXOUKIZFER-CQSZACIVSA-N 1 3 222.376 2.108 20 0 BEADHO Fc1cccc2c1CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000334966013 387046326 /nfs/dbraw/zinc/04/63/26/387046326.db2.gz DHJHADNWEMWYQQ-LBPRGKRZSA-N 1 3 248.345 2.183 20 0 BEADHO Fc1cccc2c1CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000334966012 387046925 /nfs/dbraw/zinc/04/69/25/387046925.db2.gz DHJHADNWEMWYQQ-GFCCVEGCSA-N 1 3 248.345 2.183 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000126835485 387059036 /nfs/dbraw/zinc/05/90/36/387059036.db2.gz WAJVGTQPDLBEFU-NFAWXSAZSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000126835485 387059037 /nfs/dbraw/zinc/05/90/37/387059037.db2.gz WAJVGTQPDLBEFU-NFAWXSAZSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(C[C@@H](C)c2ccccc2)C1 ZINC000126835485 387059040 /nfs/dbraw/zinc/05/90/40/387059040.db2.gz WAJVGTQPDLBEFU-NFAWXSAZSA-N 1 3 232.371 2.459 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000228060894 387063196 /nfs/dbraw/zinc/06/31/96/387063196.db2.gz PQXMVIBZBVQHSA-KOLCDFICSA-N 1 3 224.373 2.226 20 0 BEADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2CNC2)C1 ZINC000423299471 387130192 /nfs/dbraw/zinc/13/01/92/387130192.db2.gz BUOJRRNMNQMJIW-HOTGVXAUSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@]1(c2ccccc2)CC[C@H](NCC2C[NH2+]C2)C1 ZINC000423299471 387130198 /nfs/dbraw/zinc/13/01/98/387130198.db2.gz BUOJRRNMNQMJIW-HOTGVXAUSA-N 1 3 244.382 2.306 20 0 BEADHO Cc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126922524 387073972 /nfs/dbraw/zinc/07/39/72/387073972.db2.gz PRCNGZXCSUWUII-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCCOc2ccccc21 ZINC000423301170 387132531 /nfs/dbraw/zinc/13/25/31/387132531.db2.gz SQPBPNMUQCYBED-WCQYABFASA-N 1 3 234.343 2.085 20 0 BEADHO Cc1cccc2c1CC[C@H]2NC[C@@H](C)C[NH3+] ZINC000423298574 387130885 /nfs/dbraw/zinc/13/08/85/387130885.db2.gz OOPXJBIGCBAAFW-IINYFYTJSA-N 1 3 218.344 2.167 20 0 BEADHO [NH3+]C[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000334998255 387090147 /nfs/dbraw/zinc/09/01/47/387090147.db2.gz MXVCDUAJPSKNBP-XHDPSFHLSA-N 1 3 248.345 2.484 20 0 BEADHO CC[C@](C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000322514414 387092585 /nfs/dbraw/zinc/09/25/85/387092585.db2.gz JTUQVBUJCCDHNK-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@](C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000322514414 387092593 /nfs/dbraw/zinc/09/25/93/387092593.db2.gz JTUQVBUJCCDHNK-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007602 387102744 /nfs/dbraw/zinc/10/27/44/387102744.db2.gz PARVQYVPHSYBED-WCQYABFASA-N 1 3 222.376 2.297 20 0 BEADHO CC1=CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000335025087 387116048 /nfs/dbraw/zinc/11/60/48/387116048.db2.gz GXTCBZABIDJWPE-CYBMUJFWSA-N 1 3 208.349 2.123 20 0 BEADHO CC1=CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000335025087 387116051 /nfs/dbraw/zinc/11/60/51/387116051.db2.gz GXTCBZABIDJWPE-CYBMUJFWSA-N 1 3 208.349 2.123 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000335026555 387118029 /nfs/dbraw/zinc/11/80/29/387118029.db2.gz QFHAQNXLLQZBGT-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@@H]2CCCCC[C@H]2N)cn1 ZINC000335028902 387122265 /nfs/dbraw/zinc/12/22/65/387122265.db2.gz ZSNJXHFXILSWEH-HUUCEWRRSA-N 1 3 247.386 2.448 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423298617 387130068 /nfs/dbraw/zinc/13/00/68/387130068.db2.gz OUZDOYHPIWWCAR-BFVZDQMLSA-N 1 3 236.334 2.243 20 0 BEADHO C[C@H](O)C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000228090559 387067924 /nfs/dbraw/zinc/06/79/24/387067924.db2.gz GRXBOFOXLFVHJM-XUXIUFHCSA-N 1 3 242.407 2.046 20 0 BEADHO CC(C)CC[C@@H]([NH2+]C[C@@H](C)CN)C1CC1 ZINC000423306063 387141361 /nfs/dbraw/zinc/14/13/61/387141361.db2.gz LDAFPLXTWKVSNE-WCQYABFASA-N 1 3 212.381 2.386 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000423306036 387141750 /nfs/dbraw/zinc/14/17/50/387141750.db2.gz KYLQNMFTFUPVMA-YVECIDJPSA-N 1 3 212.381 2.386 20 0 BEADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1CNC1 ZINC000423308749 387142744 /nfs/dbraw/zinc/14/27/44/387142744.db2.gz YGFAEYZJSZHEQQ-RYUDHWBXSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423308534 387143866 /nfs/dbraw/zinc/14/38/66/387143866.db2.gz OREDLPKICYYART-MFKMUULPSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2cc(F)ccc21 ZINC000423308122 387144027 /nfs/dbraw/zinc/14/40/27/387144027.db2.gz NXLPTCXTWSSUDX-HZMBPMFUSA-N 1 3 236.334 2.388 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1CNC1 ZINC000423307346 387144395 /nfs/dbraw/zinc/14/43/95/387144395.db2.gz VTFNBDJTMJMKDH-RAIGVLPGSA-N 1 3 210.365 2.010 20 0 BEADHO CCC[NH2+]CCNC1[C@@H](C)CCC[C@@H]1C ZINC000423309797 387145843 /nfs/dbraw/zinc/14/58/43/387145843.db2.gz MALGUOLHTATNCJ-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2ccc(F)cc21 ZINC000423310630 387146505 /nfs/dbraw/zinc/14/65/05/387146505.db2.gz SDIVLVBKKWAWCU-IINYFYTJSA-N 1 3 236.334 2.388 20 0 BEADHO C[C@H](F)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000352402821 387146886 /nfs/dbraw/zinc/14/68/86/387146886.db2.gz QBWYJLQYHDSWQV-NWDGAFQWSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000352402821 387146891 /nfs/dbraw/zinc/14/68/91/387146891.db2.gz QBWYJLQYHDSWQV-NWDGAFQWSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000352402821 387146898 /nfs/dbraw/zinc/14/68/98/387146898.db2.gz QBWYJLQYHDSWQV-NWDGAFQWSA-N 1 3 216.344 2.151 20 0 BEADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495510 387147088 /nfs/dbraw/zinc/14/70/88/387147088.db2.gz IYUXXRZSFSGAPD-FVCCEPFGSA-N 1 3 234.343 2.385 20 0 BEADHO C[C@@H](F)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000352402820 387147259 /nfs/dbraw/zinc/14/72/59/387147259.db2.gz QBWYJLQYHDSWQV-NEPJUHHUSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000352402820 387147263 /nfs/dbraw/zinc/14/72/63/387147263.db2.gz QBWYJLQYHDSWQV-NEPJUHHUSA-N 1 3 216.344 2.151 20 0 BEADHO C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000352402820 387147269 /nfs/dbraw/zinc/14/72/69/387147269.db2.gz QBWYJLQYHDSWQV-NEPJUHHUSA-N 1 3 216.344 2.151 20 0 BEADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423311486 387149487 /nfs/dbraw/zinc/14/94/87/387149487.db2.gz UBELJDWFSNBGFQ-JHJVBQTASA-N 1 3 242.407 2.011 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423312838 387150722 /nfs/dbraw/zinc/15/07/22/387150722.db2.gz DUQKZPYQMLQLAQ-RISCZKNCSA-N 1 3 218.344 2.383 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000423313442 387151315 /nfs/dbraw/zinc/15/13/15/387151315.db2.gz FUCPGLOQAUNTEX-CABCVRRESA-N 1 3 230.355 2.309 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N)CCC1)CC2 ZINC000423319437 387161511 /nfs/dbraw/zinc/16/15/11/387161511.db2.gz FHMJMJYUJFMOBA-AWEZNQCLSA-N 1 3 246.354 2.154 20 0 BEADHO CCC1(CC)[C@H](OC)C[C@@H]1NCC1([NH3+])CCC1 ZINC000423319994 387162375 /nfs/dbraw/zinc/16/23/75/387162375.db2.gz FYGGTZKPXHESDL-NWDGAFQWSA-N 1 3 240.391 2.051 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N)CCC1)CC2 ZINC000423319438 387163199 /nfs/dbraw/zinc/16/31/99/387163199.db2.gz FHMJMJYUJFMOBA-CQSZACIVSA-N 1 3 246.354 2.154 20 0 BEADHO N[C@@H](C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000423323891 387168263 /nfs/dbraw/zinc/16/82/63/387168263.db2.gz PCQVBWSPVXPSSR-RYUDHWBXSA-N 1 3 236.384 2.452 20 0 BEADHO C[C@H](C[NH3+])N[C@@H](C)Cc1coc2ccccc12 ZINC000423324340 387168532 /nfs/dbraw/zinc/16/85/32/387168532.db2.gz KOYQBQRMLSSAPL-WDEREUQCSA-N 1 3 232.327 2.301 20 0 BEADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000423328082 387170526 /nfs/dbraw/zinc/17/05/26/387170526.db2.gz RYAPUJHWTUHDOE-ZIAGYGMSSA-N 1 3 246.354 2.009 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc2c(c1)COC2 ZINC000423342578 387193440 /nfs/dbraw/zinc/19/34/40/387193440.db2.gz YYFFNRAKVTXZQL-NSHDSACASA-N 1 3 246.354 2.249 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1 ZINC000423329455 387173262 /nfs/dbraw/zinc/17/32/62/387173262.db2.gz SVBLGIZMMOAARL-KGLIPLIRSA-N 1 3 218.344 2.465 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CNC2)C1 ZINC000423331683 387175266 /nfs/dbraw/zinc/17/52/66/387175266.db2.gz UTCBOHGYFCJUKI-OLZOCXBDSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N)C1CC1)CC2 ZINC000423333157 387178339 /nfs/dbraw/zinc/17/83/39/387178339.db2.gz VMEODQKRMFLQGP-HUUCEWRRSA-N 1 3 230.355 2.309 20 0 BEADHO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423332461 387178417 /nfs/dbraw/zinc/17/84/17/387178417.db2.gz VFOXDHOCKMIGFM-MWLCHTKSSA-N 1 3 224.373 2.444 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCOC1 ZINC000251208122 387185476 /nfs/dbraw/zinc/18/54/76/387185476.db2.gz LVQWYOFXJINCOT-MCIONIFRSA-N 1 3 240.391 2.066 20 0 BEADHO CC(C)[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccnc1 ZINC000423337384 387186220 /nfs/dbraw/zinc/18/62/20/387186220.db2.gz YHBCITKATZYZHY-KGLIPLIRSA-N 1 3 233.359 2.106 20 0 BEADHO CC(C)n1cc([C@@H](C)NCC2=CC[NH2+]CC2)cn1 ZINC000423341814 387190852 /nfs/dbraw/zinc/19/08/52/387190852.db2.gz KJFWUBZPBLYAPH-GFCCVEGCSA-N 1 3 248.374 2.034 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)C1CCC(F)(F)CC1 ZINC000423300938 387133057 /nfs/dbraw/zinc/13/30/57/387133057.db2.gz GBQWDDIRHUCHFK-VIFPVBQESA-N 1 3 232.318 2.009 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCCOc2ccccc21 ZINC000423301169 387133108 /nfs/dbraw/zinc/13/31/08/387133108.db2.gz SQPBPNMUQCYBED-DGCLKSJQSA-N 1 3 234.343 2.085 20 0 BEADHO Fc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423300743 387133242 /nfs/dbraw/zinc/13/32/42/387133242.db2.gz FGMLCSBYASDAIJ-HUUCEWRRSA-N 1 3 248.345 2.271 20 0 BEADHO Fc1ccc([C@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423300743 387133247 /nfs/dbraw/zinc/13/32/47/387133247.db2.gz FGMLCSBYASDAIJ-HUUCEWRRSA-N 1 3 248.345 2.271 20 0 BEADHO Cc1cc([C@@H](C)NC[C@H](C)C[NH3+])cs1 ZINC000423302090 387134611 /nfs/dbraw/zinc/13/46/11/387134611.db2.gz GWQITLYDHXUHOI-PSASIEDQSA-N 1 3 212.362 2.302 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)[C@@H](C)C1CCCCC1 ZINC000423303652 387137674 /nfs/dbraw/zinc/13/76/74/387137674.db2.gz MGFDPMHGXMHCSX-VXGBXAGGSA-N 1 3 224.392 2.400 20 0 BEADHO c1ccc([C@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423303572 387137728 /nfs/dbraw/zinc/13/77/28/387137728.db2.gz LZDJQUZWAVVYSH-HUUCEWRRSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423303572 387137731 /nfs/dbraw/zinc/13/77/31/387137731.db2.gz LZDJQUZWAVVYSH-HUUCEWRRSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423303573 387138115 /nfs/dbraw/zinc/13/81/15/387138115.db2.gz LZDJQUZWAVVYSH-LSDHHAIUSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423303573 387138122 /nfs/dbraw/zinc/13/81/22/387138122.db2.gz LZDJQUZWAVVYSH-LSDHHAIUSA-N 1 3 230.355 2.132 20 0 BEADHO CCC[NH2+]CCN[C@H]1CCC[C@@H]1CCCF ZINC000423305381 387139807 /nfs/dbraw/zinc/13/98/07/387139807.db2.gz BNFHOWFUXRKNDE-OLZOCXBDSA-N 1 3 230.371 2.494 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)CN)C1C(C)(C)C1(C)C ZINC000423304790 387140407 /nfs/dbraw/zinc/14/04/07/387140407.db2.gz ZLWXVNYICVFHOO-VHSXEESVSA-N 1 3 212.381 2.242 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423353892 387205028 /nfs/dbraw/zinc/20/50/28/387205028.db2.gz FFIKPTSZOWRXDZ-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000423353755 387205704 /nfs/dbraw/zinc/20/57/04/387205704.db2.gz CEOKEVXADIWSPT-VCTAVGKDSA-N 1 3 248.345 2.401 20 0 BEADHO COc1cccc2c1CCC[C@H]2NCCC[NH3+] ZINC000643496761 387219489 /nfs/dbraw/zinc/21/94/89/387219489.db2.gz CVERTLGPAVYQFZ-CYBMUJFWSA-N 1 3 234.343 2.011 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccccc1 ZINC000423368278 387220216 /nfs/dbraw/zinc/22/02/16/387220216.db2.gz FCPUWTXTUUUBFP-BZPMIXESSA-N 1 3 218.344 2.478 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCCNCC2)C1 ZINC000643485088 387221170 /nfs/dbraw/zinc/22/11/70/387221170.db2.gz RTCRRPLYFBOYLF-CPCZMJQVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000423368796 387221813 /nfs/dbraw/zinc/22/18/13/387221813.db2.gz NOEWGCGQHBPYFL-IHRRRGAJSA-N 1 3 233.359 2.392 20 0 BEADHO CCO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369804 387224620 /nfs/dbraw/zinc/22/46/20/387224620.db2.gz OSELUCJGJXTKJE-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@H]1C(C)(C)C ZINC000423372967 387226270 /nfs/dbraw/zinc/22/62/70/387226270.db2.gz BREVZXPPVIMERZ-UTUOFQBUSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000423401437 387236835 /nfs/dbraw/zinc/23/68/35/387236835.db2.gz QWJJZTKNHPDGRI-NDBYEHHHSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H](Cc1cccs1)[NH2+]C1CCNCC1 ZINC000643496207 387196166 /nfs/dbraw/zinc/19/61/66/387196166.db2.gz ZXZNFOOAUXEDTP-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO CC[C@H](Cc1cccs1)NC1CC[NH2+]CC1 ZINC000643496207 387196168 /nfs/dbraw/zinc/19/61/68/387196168.db2.gz ZXZNFOOAUXEDTP-LLVKDONJSA-N 1 3 238.400 2.411 20 0 BEADHO CC(C)C1CC([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000423347689 387198408 /nfs/dbraw/zinc/19/84/08/387198408.db2.gz RSBJJHIRNMRWCF-RUXDESIVSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1C[C@H]1C ZINC000423348059 387198446 /nfs/dbraw/zinc/19/84/46/387198446.db2.gz SJXDOBDJSZELOR-YIYPIFLZSA-N 1 3 224.392 2.400 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]2C[C@@]21C ZINC000423377713 387260193 /nfs/dbraw/zinc/26/01/93/387260193.db2.gz FFYIJVZUKHRVTE-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCC3)CCN1 ZINC000423388041 387271805 /nfs/dbraw/zinc/27/18/05/387271805.db2.gz SXGHAGWDAKVCBN-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CC(C)(C)C[C@@H]1C ZINC000423388056 387271853 /nfs/dbraw/zinc/27/18/53/387271853.db2.gz SXNZOYBEXPKXOP-TUAOUCFPSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000423389753 387274126 /nfs/dbraw/zinc/27/41/26/387274126.db2.gz JQMOGUDYFBUPFX-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000423394077 387278015 /nfs/dbraw/zinc/27/80/15/387278015.db2.gz MRIQIWDODFCIOO-XHJNMGKDSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000423394078 387279072 /nfs/dbraw/zinc/27/90/72/387279072.db2.gz MRIQIWDODFCIOO-XVIXHAIJSA-N 1 3 224.392 2.399 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H](C)CC(C)(C)C ZINC000423396084 387280629 /nfs/dbraw/zinc/28/06/29/387280629.db2.gz TUHAPJRYEXAPJA-WDEREUQCSA-N 1 3 200.370 2.399 20 0 BEADHO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000423433407 387283762 /nfs/dbraw/zinc/28/37/62/387283762.db2.gz CIFCUPUGVHXOAD-MXWKQRLJSA-N 1 3 249.358 2.031 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ccc(F)cn1 ZINC000423438357 387288258 /nfs/dbraw/zinc/28/82/58/387288258.db2.gz RIPJGUXWZMHJBJ-MNOVXSKESA-N 1 3 239.338 2.389 20 0 BEADHO CCSCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000121034034 387290898 /nfs/dbraw/zinc/29/08/98/387290898.db2.gz PLJLBKPLNICDAH-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CCSCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000121034034 387290902 /nfs/dbraw/zinc/29/09/02/387290902.db2.gz PLJLBKPLNICDAH-LBPRGKRZSA-N 1 3 230.421 2.013 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423440046 387291114 /nfs/dbraw/zinc/29/11/14/387291114.db2.gz SVYNLYWINRDJGE-ODXJTPSBSA-N 1 3 222.376 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000423440099 387291620 /nfs/dbraw/zinc/29/16/20/387291620.db2.gz AMSRVYMJWWJWCG-RYUDHWBXSA-N 1 3 236.359 2.392 20 0 BEADHO CCCCO[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423444716 387295965 /nfs/dbraw/zinc/29/59/65/387295965.db2.gz LYWQAJTWBOWGSP-ZDEQEGDKSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCC[C@H]1C ZINC000423450310 387299886 /nfs/dbraw/zinc/29/98/86/387299886.db2.gz HGQQKHNJIBLGQS-KJKVDNPUSA-N 1 3 222.376 2.009 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)N)CCC2 ZINC000423449744 387300028 /nfs/dbraw/zinc/30/00/28/387300028.db2.gz RZDMGIMPLMBYFE-ZIBATOQPSA-N 1 3 248.370 2.398 20 0 BEADHO Cc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000514873812 387302115 /nfs/dbraw/zinc/30/21/15/387302115.db2.gz XHJJXYRRXYHMCI-UHFFFAOYSA-N 1 3 218.344 2.180 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000423456589 387303624 /nfs/dbraw/zinc/30/36/24/387303624.db2.gz DRRWBJXDYPQJHY-SKDRFNHKSA-N 1 3 210.296 2.214 20 0 BEADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccoc1 ZINC000583257681 387305119 /nfs/dbraw/zinc/30/51/19/387305119.db2.gz QLYOVHWFWHGKOR-DDTOSNHZSA-N 1 3 234.343 2.318 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423461019 387309403 /nfs/dbraw/zinc/30/94/03/387309403.db2.gz JFVSBUYPYVSPLS-JSGCOSHPSA-N 1 3 218.344 2.309 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c(C)c1 ZINC000423480631 387360426 /nfs/dbraw/zinc/36/04/26/387360426.db2.gz WHERPHHILWSSGO-WOPDTQHZSA-N 1 3 236.359 2.390 20 0 BEADHO C(NC1CCC2(CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643502272 387362859 /nfs/dbraw/zinc/36/28/59/387362859.db2.gz BFLYIEZPENYPPB-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000423481488 387363590 /nfs/dbraw/zinc/36/35/90/387363590.db2.gz WTESXJWQWRYWOF-DGCLKSJQSA-N 1 3 204.317 2.001 20 0 BEADHO C(N[C@H]1CCCC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502694 387368061 /nfs/dbraw/zinc/36/80/61/387368061.db2.gz OCYKOBCUWQNEFH-STQMWFEESA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000423545637 387369556 /nfs/dbraw/zinc/36/95/56/387369556.db2.gz JTDVKFWQQZYODZ-DGAVXFQQSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@H]([NH2+]CCCNC1CC1)[C@@H]1C[C@H]1C ZINC000423546522 387369803 /nfs/dbraw/zinc/36/98/03/387369803.db2.gz FLERSVUMBYSYSQ-RTXFEEFZSA-N 1 3 210.365 2.153 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CCCC12CCC2 ZINC000423550952 387372797 /nfs/dbraw/zinc/37/27/97/387372797.db2.gz IUUBNLRXIKMPNR-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1C[C@@H]1C ZINC000423557698 387375548 /nfs/dbraw/zinc/37/55/48/387375548.db2.gz NNWLFXHMKXNBQH-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423471787 387319751 /nfs/dbraw/zinc/31/97/51/387319751.db2.gz PZPJTNCHOKEXRM-RISCZKNCSA-N 1 3 234.343 2.009 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423482996 387328510 /nfs/dbraw/zinc/32/85/10/387328510.db2.gz XRJJVWWKBFEQDD-HZMBPMFUSA-N 1 3 234.343 2.105 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000423485379 387332298 /nfs/dbraw/zinc/33/22/98/387332298.db2.gz ZFSKMZAUOOXVQL-SWLSCSKDSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2)CCN1 ZINC000575512102 387383007 /nfs/dbraw/zinc/38/30/07/387383007.db2.gz KRKKJSZENUJHEB-JSGCOSHPSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CCN1 ZINC000575512102 387383014 /nfs/dbraw/zinc/38/30/14/387383014.db2.gz KRKKJSZENUJHEB-JSGCOSHPSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000423491532 387336607 /nfs/dbraw/zinc/33/66/07/387336607.db2.gz ZINZNJSQJBQWPT-VXGBXAGGSA-N 1 3 222.332 2.462 20 0 BEADHO CCN1CCC[C@H](C[NH2+]Cc2cnccc2C)C1 ZINC000354147989 387336804 /nfs/dbraw/zinc/33/68/04/387336804.db2.gz VVWLIYICKLXHAJ-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1nc([C@H](C)N[C@@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000423493557 387337696 /nfs/dbraw/zinc/33/76/96/387337696.db2.gz BVWYNUIDJNSPIN-INTQDDNPSA-N 1 3 239.388 2.230 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000322002899 387346868 /nfs/dbraw/zinc/34/68/68/387346868.db2.gz HDLLEAMLQZYHLW-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO CN1CC=C(C[NH2+]Cc2ccccc2)CC1 ZINC000271789764 387447163 /nfs/dbraw/zinc/44/71/63/387447163.db2.gz GISNCLLHUYZECU-UHFFFAOYSA-N 1 3 216.328 2.038 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](C)C(C)(C)C ZINC000643455205 387390934 /nfs/dbraw/zinc/39/09/34/387390934.db2.gz GOPYPALBKMLZEJ-GARJFASQSA-N 1 3 200.370 2.384 20 0 BEADHO C[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643468282 387418145 /nfs/dbraw/zinc/41/81/45/387418145.db2.gz IBILQXKYVZLGMM-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)C1CC1 ZINC000643468334 387418781 /nfs/dbraw/zinc/41/87/81/387418781.db2.gz QLXGMZYGROJWIK-LOWVWBTDSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@@H](NC[C@H](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000643468351 387419045 /nfs/dbraw/zinc/41/90/45/387419045.db2.gz SYEDNKKBLJKCDK-UHTWSYAYSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](C)C1CC1)[C@@H]1CCCN1 ZINC000643468351 387419047 /nfs/dbraw/zinc/41/90/47/387419047.db2.gz SYEDNKKBLJKCDK-UHTWSYAYSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304598015 387494537 /nfs/dbraw/zinc/49/45/37/387494537.db2.gz QEDQSSXKOFCJQI-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)(C)CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000304598009 387495352 /nfs/dbraw/zinc/49/53/52/387495352.db2.gz QEDQSSXKOFCJQI-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000040622658 387500011 /nfs/dbraw/zinc/50/00/11/387500011.db2.gz GBLVZYISLAPOAF-LBPRGKRZSA-N 1 3 242.432 2.202 20 0 BEADHO c1ccc2c(c1)CCC(NCC[NH2+]C1CC1)CC2 ZINC000643507352 387483971 /nfs/dbraw/zinc/48/39/71/387483971.db2.gz ANYCETBCSXYOGX-UHFFFAOYSA-N 1 3 244.382 2.276 20 0 BEADHO C[C@H](CCCC(F)(F)F)NCC[NH2+]C1CC1 ZINC000643507411 387484135 /nfs/dbraw/zinc/48/41/35/387484135.db2.gz CFRRFAJGFHMRHJ-SECBINFHSA-N 1 3 238.297 2.449 20 0 BEADHO CC[C@@H](Cc1cccs1)NCC(C)(C)[NH3+] ZINC000643513118 387596935 /nfs/dbraw/zinc/59/69/35/387596935.db2.gz ISHFNKREZWVGJW-JTQLQIEISA-N 1 3 226.389 2.396 20 0 BEADHO COc1cccc([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422714722 387628929 /nfs/dbraw/zinc/62/89/29/387628929.db2.gz RIQDJJREDJPIRV-WOPDTQHZSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCO[C@H]1CCCC[C@H]1C ZINC000422716306 387629317 /nfs/dbraw/zinc/62/93/17/387629317.db2.gz UGFHHGCJQSPTBO-RFGFWPKPSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422702787 387619290 /nfs/dbraw/zinc/61/92/90/387619290.db2.gz LPLFJCSAWJOUJS-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@H]1CCCN1 ZINC000422702787 387619294 /nfs/dbraw/zinc/61/92/94/387619294.db2.gz LPLFJCSAWJOUJS-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CCCCF)CC1 ZINC000375652377 387563210 /nfs/dbraw/zinc/56/32/10/387563210.db2.gz KZHSLTWDCSCNLL-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CCCCF)CC1 ZINC000375652377 387563213 /nfs/dbraw/zinc/56/32/13/387563213.db2.gz KZHSLTWDCSCNLL-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO C[NH+](C)[C@H]1CCCN(CCCCF)CC1 ZINC000375652377 387563217 /nfs/dbraw/zinc/56/32/17/387563217.db2.gz KZHSLTWDCSCNLL-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO C[C@H](NCCCC[NH3+])c1cc(F)ccc1F ZINC000037714997 387565144 /nfs/dbraw/zinc/56/51/44/387565144.db2.gz CWXKSVIQVNELPF-VIFPVBQESA-N 1 3 228.286 2.354 20 0 BEADHO C[C@@H](Cc1cccs1)NC[C@H]([NH3+])C1CC1 ZINC000643516559 387627880 /nfs/dbraw/zinc/62/78/80/387627880.db2.gz SBOJZXAVVLYRSO-CABZTGNLSA-N 1 3 224.373 2.006 20 0 BEADHO CC[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422716454 387627920 /nfs/dbraw/zinc/62/79/20/387627920.db2.gz NEFLZPJNLFSJNR-STQMWFEESA-N 1 3 232.371 2.378 20 0 BEADHO CC[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422716454 387627925 /nfs/dbraw/zinc/62/79/25/387627925.db2.gz NEFLZPJNLFSJNR-STQMWFEESA-N 1 3 232.371 2.378 20 0 BEADHO Cc1cccc(C(C)(C)CN[C@H](C)C2C[NH2+]C2)c1 ZINC000422792424 387694514 /nfs/dbraw/zinc/69/45/14/387694514.db2.gz ZDNPQPSTKNQKPD-CYBMUJFWSA-N 1 3 246.398 2.470 20 0 BEADHO Cc1cccc(C(C)(C)C[NH2+][C@H](C)C2CNC2)c1 ZINC000422792424 387694519 /nfs/dbraw/zinc/69/45/19/387694519.db2.gz ZDNPQPSTKNQKPD-CYBMUJFWSA-N 1 3 246.398 2.470 20 0 BEADHO CN(CCN(C)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430590742 387630609 /nfs/dbraw/zinc/63/06/09/387630609.db2.gz LXMZLQAFQCZCLK-UHFFFAOYSA-N 1 3 249.402 2.040 20 0 BEADHO CN(CC[N@H+](C)CC(C)(C)CN)c1ccccc1 ZINC000430590742 387630615 /nfs/dbraw/zinc/63/06/15/387630615.db2.gz LXMZLQAFQCZCLK-UHFFFAOYSA-N 1 3 249.402 2.040 20 0 BEADHO CN(CC[N@@H+](C)CC(C)(C)CN)c1ccccc1 ZINC000430590742 387630619 /nfs/dbraw/zinc/63/06/19/387630619.db2.gz LXMZLQAFQCZCLK-UHFFFAOYSA-N 1 3 249.402 2.040 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422722237 387632403 /nfs/dbraw/zinc/63/24/03/387632403.db2.gz XHLVEIOHEXDYKY-BZPMIXESSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H](N[C@@H]1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422726823 387635183 /nfs/dbraw/zinc/63/51/83/387635183.db2.gz GAMKZSUXASMUTL-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)[C@H]1CCCN1 ZINC000422726823 387635186 /nfs/dbraw/zinc/63/51/86/387635186.db2.gz GAMKZSUXASMUTL-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC000376475693 387637700 /nfs/dbraw/zinc/63/77/00/387637700.db2.gz BPNLQFIYHSROMQ-UONOGXRCSA-N 1 3 238.375 2.095 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000376475693 387637704 /nfs/dbraw/zinc/63/77/04/387637704.db2.gz BPNLQFIYHSROMQ-UONOGXRCSA-N 1 3 238.375 2.095 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccccc1F ZINC000422739695 387646720 /nfs/dbraw/zinc/64/67/20/387646720.db2.gz LZHXNHACBVJSQH-SRVKXCTJSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000422739695 387646725 /nfs/dbraw/zinc/64/67/25/387646725.db2.gz LZHXNHACBVJSQH-SRVKXCTJSA-N 1 3 238.350 2.472 20 0 BEADHO CCCC[C@@H](CC)C[NH2+][C@H](C)C1CNC1 ZINC000422741444 387647417 /nfs/dbraw/zinc/64/74/17/387647417.db2.gz DRHQUVFSAKHYDU-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccccc1Cl ZINC000422788510 387653755 /nfs/dbraw/zinc/65/37/55/387653755.db2.gz VMARNGRWBIDXOS-CHWSQXEVSA-N 1 3 238.762 2.352 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cccs1 ZINC000422750699 387655555 /nfs/dbraw/zinc/65/55/55/387655555.db2.gz DMRDXTVOBNRWOK-DGCLKSJQSA-N 1 3 238.400 2.268 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cccs1 ZINC000422750699 387655561 /nfs/dbraw/zinc/65/55/61/387655561.db2.gz DMRDXTVOBNRWOK-DGCLKSJQSA-N 1 3 238.400 2.268 20 0 BEADHO Cc1ccc(OCCN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422757437 387660399 /nfs/dbraw/zinc/66/03/99/387660399.db2.gz MUBCAQRKROLPJD-DZGCQCFKSA-N 1 3 248.370 2.091 20 0 BEADHO Cc1ccccc1OCCCN1CC[C@@H](C[NH3+])C1 ZINC000430924292 387660603 /nfs/dbraw/zinc/66/06/03/387660603.db2.gz AATSZAWQOYAEAX-AWEZNQCLSA-N 1 3 248.370 2.045 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCSc1ccccc1 ZINC000422756381 387660960 /nfs/dbraw/zinc/66/09/60/387660960.db2.gz CHLLERLFWYRZCJ-NWDGAFQWSA-N 1 3 238.400 2.494 20 0 BEADHO Cc1ccc(C[C@H](C)N[C@@H](C)C2C[NH2+]C2)s1 ZINC000422757310 387660968 /nfs/dbraw/zinc/66/09/68/387660968.db2.gz HUZMYKBLTROEOF-ONGXEEELSA-N 1 3 238.400 2.185 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C2CNC2)s1 ZINC000422757310 387660970 /nfs/dbraw/zinc/66/09/70/387660970.db2.gz HUZMYKBLTROEOF-ONGXEEELSA-N 1 3 238.400 2.185 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000422758292 387661133 /nfs/dbraw/zinc/66/11/33/387661133.db2.gz NTUWHNNAOOTXKS-DZGCQCFKSA-N 1 3 247.386 2.206 20 0 BEADHO CCc1ccc(CCN2CC[C@@H](C[NH3+])C2)cc1 ZINC000430924475 387661772 /nfs/dbraw/zinc/66/17/72/387661772.db2.gz IHYWJEMLJLRUAW-HNNXBMFYSA-N 1 3 232.371 2.072 20 0 BEADHO CCc1ccc(CC[N@@H+]2CC[C@@H](CN)C2)cc1 ZINC000430924475 387661778 /nfs/dbraw/zinc/66/17/78/387661778.db2.gz IHYWJEMLJLRUAW-HNNXBMFYSA-N 1 3 232.371 2.072 20 0 BEADHO CCc1ccc(CC[N@H+]2CC[C@@H](CN)C2)cc1 ZINC000430924475 387661781 /nfs/dbraw/zinc/66/17/81/387661781.db2.gz IHYWJEMLJLRUAW-HNNXBMFYSA-N 1 3 232.371 2.072 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccccc1 ZINC000422761199 387663719 /nfs/dbraw/zinc/66/37/19/387663719.db2.gz QWEODVWJDSIJAE-UKRRQHHQSA-N 1 3 248.370 2.043 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C12CCC2 ZINC000422777108 387675376 /nfs/dbraw/zinc/67/53/76/387675376.db2.gz FFLGLHAAIDSROU-ZDEQEGDKSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)C12CCC2 ZINC000422777108 387675383 /nfs/dbraw/zinc/67/53/83/387675383.db2.gz FFLGLHAAIDSROU-ZDEQEGDKSA-N 1 3 240.391 2.050 20 0 BEADHO [NH3+]C[C@H]1CCCN(CCCOc2ccccc2)C1 ZINC000044530184 387684816 /nfs/dbraw/zinc/68/48/16/387684816.db2.gz GBEXMMYXBDXPIX-CQSZACIVSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)C1CNC1 ZINC000422787681 387685781 /nfs/dbraw/zinc/68/57/81/387685781.db2.gz UWXVEIIILVOPBN-WDEREUQCSA-N 1 3 238.400 2.124 20 0 BEADHO C[C@@H](NC[C@@H](C)Cc1cccs1)C1C[NH2+]C1 ZINC000422787681 387685786 /nfs/dbraw/zinc/68/57/86/387685786.db2.gz UWXVEIIILVOPBN-WDEREUQCSA-N 1 3 238.400 2.124 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)Cc1cccs1 ZINC000422787678 387686320 /nfs/dbraw/zinc/68/63/20/387686320.db2.gz UWXVEIIILVOPBN-GHMZBOCLSA-N 1 3 238.400 2.124 20 0 BEADHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)Cc1cccs1 ZINC000422787678 387686327 /nfs/dbraw/zinc/68/63/27/387686327.db2.gz UWXVEIIILVOPBN-GHMZBOCLSA-N 1 3 238.400 2.124 20 0 BEADHO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422786384 387687945 /nfs/dbraw/zinc/68/79/45/387687945.db2.gz QIISXFFQIMKBPG-ZIAGYGMSSA-N 1 3 218.344 2.218 20 0 BEADHO COc1ccc(CCCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422744180 387689761 /nfs/dbraw/zinc/68/97/61/387689761.db2.gz VQBMRVHXQNUSKX-HUUCEWRRSA-N 1 3 248.370 2.097 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccc(F)cc1 ZINC000422744190 387690990 /nfs/dbraw/zinc/69/09/90/387690990.db2.gz SOGZBOHENDYSGU-DDTOSNHZSA-N 1 3 236.334 2.399 20 0 BEADHO CO[C@H](C)[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000128592624 387750496 /nfs/dbraw/zinc/75/04/96/387750496.db2.gz SBKDAWBAJXUAMZ-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CC1(C[NH2+][C@@H](C)C2CNC2)CCC1 ZINC000422879594 387754256 /nfs/dbraw/zinc/75/42/56/387754256.db2.gz VOYUJIPVQXHWDU-LBPRGKRZSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1F ZINC000422800191 387699771 /nfs/dbraw/zinc/69/97/71/387699771.db2.gz ZNMKABDWVCFMIT-GHMZBOCLSA-N 1 3 224.323 2.350 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2ccccc21 ZINC000422799510 387700193 /nfs/dbraw/zinc/70/01/93/387700193.db2.gz XCEPZKVALARYFS-MJVIPROJSA-N 1 3 218.344 2.389 20 0 BEADHO CCO[C@H](CC[NH2+][C@@H](C)C[C@@H](C)N)C(C)C ZINC000422810822 387707191 /nfs/dbraw/zinc/70/71/91/387707191.db2.gz NYJSDEVNFYZRCQ-FRRDWIJNSA-N 1 3 230.396 2.153 20 0 BEADHO Cc1ccc2[nH]c(CN[C@H](C)CCC[NH3+])nc2c1 ZINC000422808681 387707924 /nfs/dbraw/zinc/70/79/24/387707924.db2.gz LIMXSXQTWGXPPV-LLVKDONJSA-N 1 3 246.358 2.088 20 0 BEADHO Cc1ccc2nc(CN[C@H](C)CCC[NH3+])[nH]c2c1 ZINC000422808681 387707930 /nfs/dbraw/zinc/70/79/30/387707930.db2.gz LIMXSXQTWGXPPV-LLVKDONJSA-N 1 3 246.358 2.088 20 0 BEADHO CCO[C@H](CCN[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422814301 387711084 /nfs/dbraw/zinc/71/10/84/387711084.db2.gz UFQDSVVEBQCIBZ-HZSPNIEDSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C1CNC1 ZINC000422819917 387716567 /nfs/dbraw/zinc/71/65/67/387716567.db2.gz OJULRAXHLHMGNQ-MDZLAQPJSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H]1C[C@@H]1C ZINC000643522965 387724419 /nfs/dbraw/zinc/72/44/19/387724419.db2.gz QSIIMYCWLIVITC-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000127735714 387726649 /nfs/dbraw/zinc/72/66/49/387726649.db2.gz XEYDMXWZGFMNJA-OCCSQVGLSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC1(C)C)[C@@H]1CCCN1 ZINC000422839646 387727765 /nfs/dbraw/zinc/72/77/65/387727765.db2.gz RAVSBGBICMONQP-WOPDTQHZSA-N 1 3 210.365 2.295 20 0 BEADHO CCC1(C[NH2+][C@@H](C)C2CNC2)CCCC1 ZINC000422892189 387762423 /nfs/dbraw/zinc/76/24/23/387762423.db2.gz XRFPOWODQYSMAE-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cccnc1[C@@H]1CCC[C@H](NC[C@@H](C)[NH3+])C1 ZINC000643527104 387763685 /nfs/dbraw/zinc/76/36/85/387763685.db2.gz JWWLTLMQPKXCKG-MCIONIFRSA-N 1 3 247.386 2.353 20 0 BEADHO C[C@H](C[C@H]1CCCO1)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422897565 387765323 /nfs/dbraw/zinc/76/53/23/387765323.db2.gz CBULUTBBPFFUPB-AAVRWANBSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@H](NCC1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422894770 387765849 /nfs/dbraw/zinc/76/58/49/387765849.db2.gz DFUKUYHHTJPJSD-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN1 ZINC000422894770 387765854 /nfs/dbraw/zinc/76/58/54/387765854.db2.gz DFUKUYHHTJPJSD-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000643528667 387769052 /nfs/dbraw/zinc/76/90/52/387769052.db2.gz MSIOADGWSNCKHX-QPUJVOFHSA-N 1 3 224.735 2.264 20 0 BEADHO C[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000643528665 387769880 /nfs/dbraw/zinc/76/98/80/387769880.db2.gz MSIOADGWSNCKHX-PELKAZGASA-N 1 3 224.735 2.264 20 0 BEADHO CSc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643528624 387770133 /nfs/dbraw/zinc/77/01/33/387770133.db2.gz MELTXMRCERDBPW-ZJUUUORDSA-N 1 3 224.373 2.406 20 0 BEADHO CSc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643528623 387770419 /nfs/dbraw/zinc/77/04/19/387770419.db2.gz MELTXMRCERDBPW-VHSXEESVSA-N 1 3 224.373 2.406 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422912308 387771137 /nfs/dbraw/zinc/77/11/37/387771137.db2.gz VXTQRKMODQERPE-SCRDCRAPSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccc(F)cc1 ZINC000643529029 387771381 /nfs/dbraw/zinc/77/13/81/387771381.db2.gz SZELAAFIKWTLKJ-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1cccc(F)c1 ZINC000422912260 387771445 /nfs/dbraw/zinc/77/14/45/387771445.db2.gz VRIFESDIXJTHIQ-ZIAGYGMSSA-N 1 3 236.334 2.228 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCc2ccccc21 ZINC000422912307 387771654 /nfs/dbraw/zinc/77/16/54/387771654.db2.gz VXTQRKMODQERPE-OUCADQQQSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)C1CNC1 ZINC000422914464 387771959 /nfs/dbraw/zinc/77/19/59/387771959.db2.gz UHVSOIBVGFFPLC-MLGOLLRUSA-N 1 3 244.382 2.205 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000643528079 387775137 /nfs/dbraw/zinc/77/51/37/387775137.db2.gz YUTQGBSBATUAOL-IMIFBBOLSA-N 1 3 218.344 2.115 20 0 BEADHO Cc1cccc(CC[C@@H](C)NC[C@@H](C)[NH3+])c1 ZINC000643529379 387777391 /nfs/dbraw/zinc/77/73/91/387777391.db2.gz ZBXOFGVXRLTGHV-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1cc(C)cc(C[C@H](C)[NH2+][C@H](C)C2CNC2)c1 ZINC000422923156 387777491 /nfs/dbraw/zinc/77/74/91/387777491.db2.gz RHFKXHXBMASYFE-UONOGXRCSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1cc(C)cc(C[C@H](C)N[C@H](C)C2C[NH2+]C2)c1 ZINC000422923156 387777495 /nfs/dbraw/zinc/77/74/95/387777495.db2.gz RHFKXHXBMASYFE-UONOGXRCSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@H](C)C2CNC2)c1 ZINC000422923157 387777736 /nfs/dbraw/zinc/77/77/36/387777736.db2.gz RHFKXHXBMASYFE-ZIAGYGMSSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1cc(C)cc(C[C@@H](C)N[C@H](C)C2C[NH2+]C2)c1 ZINC000422923157 387777738 /nfs/dbraw/zinc/77/77/38/387777738.db2.gz RHFKXHXBMASYFE-ZIAGYGMSSA-N 1 3 246.398 2.432 20 0 BEADHO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643529411 387777770 /nfs/dbraw/zinc/77/77/70/387777770.db2.gz ZLYUGGCPTWEZDH-NEPJUHHUSA-N 1 3 236.359 2.472 20 0 BEADHO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643529412 387778056 /nfs/dbraw/zinc/77/80/56/387778056.db2.gz ZLYUGGCPTWEZDH-NWDGAFQWSA-N 1 3 236.359 2.472 20 0 BEADHO CCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422923230 387778164 /nfs/dbraw/zinc/77/81/64/387778164.db2.gz VKPOFJAQLQALPG-FOSCPWQOSA-N 1 3 208.349 2.049 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000422925309 387780492 /nfs/dbraw/zinc/78/04/92/387780492.db2.gz ZYLPZDIALVJPQK-QDYJBQRPSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@H](NC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000643477784 387782386 /nfs/dbraw/zinc/78/23/86/387782386.db2.gz SPPVTESGEFCQHW-NMKXLXIOSA-N 1 3 240.391 2.063 20 0 BEADHO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422901582 387787490 /nfs/dbraw/zinc/78/74/90/387787490.db2.gz SFMUYLAIYQSEJN-GJZGRUSLSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000422979579 387792054 /nfs/dbraw/zinc/79/20/54/387792054.db2.gz NCZCGHVRXHWHTB-KYOSRNDESA-N 1 3 248.370 2.040 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422983811 387793283 /nfs/dbraw/zinc/79/32/83/387793283.db2.gz VDCNUTOGDNGUQD-HUUCEWRRSA-N 1 3 232.371 2.255 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1 ZINC000422983012 387793351 /nfs/dbraw/zinc/79/33/51/387793351.db2.gz SDELCAPUFCGUMB-NFAWXSAZSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Oc1ccccc1 ZINC000422983012 387793355 /nfs/dbraw/zinc/79/33/55/387793355.db2.gz SDELCAPUFCGUMB-NFAWXSAZSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Oc1ccccc1 ZINC000422983014 387793925 /nfs/dbraw/zinc/79/39/25/387793925.db2.gz SDELCAPUFCGUMB-VNHYZAJKSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Oc1ccccc1 ZINC000422983014 387793928 /nfs/dbraw/zinc/79/39/28/387793928.db2.gz SDELCAPUFCGUMB-VNHYZAJKSA-N 1 3 248.370 2.171 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1ccccc1 ZINC000422986724 387795118 /nfs/dbraw/zinc/79/51/18/387795118.db2.gz HFMFHXXJCVJXHV-GRYCIOLGSA-N 1 3 206.333 2.463 20 0 BEADHO FC1(F)CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422992863 387799670 /nfs/dbraw/zinc/79/96/70/387799670.db2.gz RUZGISCUHBKAFF-FBTJUVTCSA-N 1 3 244.329 2.437 20 0 BEADHO Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@H]1N ZINC000422948671 387808223 /nfs/dbraw/zinc/80/82/23/387808223.db2.gz RVFCMYDZOWRZOH-ZIAGYGMSSA-N 1 3 248.370 2.152 20 0 BEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCC1 ZINC000422954233 387808822 /nfs/dbraw/zinc/80/88/22/387808822.db2.gz HKQXHESKKIICEW-FZMZJTMJSA-N 1 3 218.344 2.087 20 0 BEADHO C[C@H](N)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000643527040 387759484 /nfs/dbraw/zinc/75/94/84/387759484.db2.gz CFBIPNJURWATFP-GXFFZTMASA-N 1 3 204.317 2.075 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+][C@H](C)C2CNC2)c(C)c1 ZINC000422886255 387761218 /nfs/dbraw/zinc/76/12/18/387761218.db2.gz INVWIWMMJBINOT-UONOGXRCSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1ccc(C[C@H](C)N[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422886255 387761222 /nfs/dbraw/zinc/76/12/22/387761222.db2.gz INVWIWMMJBINOT-UONOGXRCSA-N 1 3 246.398 2.432 20 0 BEADHO C[C@@H](NC[C@H]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000422972550 387821154 /nfs/dbraw/zinc/82/11/54/387821154.db2.gz MCRKSBSPNHELHB-FRRDWIJNSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CCCN1 ZINC000422972550 387821156 /nfs/dbraw/zinc/82/11/56/387821156.db2.gz MCRKSBSPNHELHB-FRRDWIJNSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]CCc1ccccc1O)[C@@H]1CCCCN1 ZINC000422973466 387821854 /nfs/dbraw/zinc/82/18/54/387821854.db2.gz OTRMWNJIPGDDJK-OCCSQVGLSA-N 1 3 248.370 2.055 20 0 BEADHO C[C@H]([NH2+]CC1CCC(C)CC1)C1CNC1 ZINC000422974679 387822800 /nfs/dbraw/zinc/82/28/00/387822800.db2.gz RQJQUJJKLVEXQC-CXQJBGSLSA-N 1 3 210.365 2.010 20 0 BEADHO CCCC(O)(CCC)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422974983 387823421 /nfs/dbraw/zinc/82/34/21/387823421.db2.gz FVTBDCJFIAHTPN-STQMWFEESA-N 1 3 242.407 2.035 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1(CCO)CCCCC1 ZINC000423004108 387825879 /nfs/dbraw/zinc/82/58/79/387825879.db2.gz JEHYATRNTVCSMV-QWHCGFSZSA-N 1 3 242.407 2.035 20 0 BEADHO CC(C)CSCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423008446 387831104 /nfs/dbraw/zinc/83/11/04/387831104.db2.gz AHKPTVBBXWRHSU-STQMWFEESA-N 1 3 244.448 2.353 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423008446 387831110 /nfs/dbraw/zinc/83/11/10/387831110.db2.gz AHKPTVBBXWRHSU-STQMWFEESA-N 1 3 244.448 2.353 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC1(C2CC2)CCC1 ZINC000423008232 387831909 /nfs/dbraw/zinc/83/19/09/387831909.db2.gz ZLFBRUZMVDURIG-WDEREUQCSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]([NH2+]CC1CCC(C)(C)CC1)C1CNC1 ZINC000423010718 387833320 /nfs/dbraw/zinc/83/33/20/387833320.db2.gz HGUIDVBGFRGJNL-LLVKDONJSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000423013660 387835471 /nfs/dbraw/zinc/83/54/71/387835471.db2.gz NECBQBBCEUAYRY-ZSVAQUKISA-N 1 3 210.365 2.282 20 0 BEADHO Cc1cnccc1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423014109 387836336 /nfs/dbraw/zinc/83/63/36/387836336.db2.gz OHNPXPQKGPCWDU-HUUCEWRRSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC12CCC(CC1)C2 ZINC000423013658 387836499 /nfs/dbraw/zinc/83/64/99/387836499.db2.gz NECBQBBCEUAYRY-OKZRHMCRSA-N 1 3 210.365 2.282 20 0 BEADHO CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000423073477 387873487 /nfs/dbraw/zinc/87/34/87/387873487.db2.gz ITFBOAINROSKPA-LSDHHAIUSA-N 1 3 247.386 2.478 20 0 BEADHO COCCC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423030337 387846794 /nfs/dbraw/zinc/84/67/94/387846794.db2.gz BIDZIYZIBICQPI-OLZOCXBDSA-N 1 3 242.407 2.027 20 0 BEADHO Cc1csc([C@H](C)CN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000423039551 387853836 /nfs/dbraw/zinc/85/38/36/387853836.db2.gz QUVXAFZXXVNLNE-KXUCPTDWSA-N 1 3 241.404 2.270 20 0 BEADHO Cc1csc([C@H](C)C[NH2+][C@H](C)C[C@H](C)N)n1 ZINC000423039551 387853837 /nfs/dbraw/zinc/85/38/37/387853837.db2.gz QUVXAFZXXVNLNE-KXUCPTDWSA-N 1 3 241.404 2.270 20 0 BEADHO COCC[C@H](N[C@H](C)CCC[NH3+])c1ccco1 ZINC000423041776 387855328 /nfs/dbraw/zinc/85/53/28/387855328.db2.gz JTAKCNVTJKNPEH-NEPJUHHUSA-N 1 3 240.347 2.074 20 0 BEADHO CCc1ccccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193645715 387859949 /nfs/dbraw/zinc/85/99/49/387859949.db2.gz XAROQLACVRGBMJ-IYBDPMFKSA-N 1 3 244.382 2.242 20 0 BEADHO CCc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193645715 387859951 /nfs/dbraw/zinc/85/99/51/387859951.db2.gz XAROQLACVRGBMJ-IYBDPMFKSA-N 1 3 244.382 2.242 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NC1(Cc2ccccc2)CC1 ZINC000423054744 387862302 /nfs/dbraw/zinc/86/23/02/387862302.db2.gz UYADGWXOSJXTNY-OLZOCXBDSA-N 1 3 232.371 2.477 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000423054744 387862304 /nfs/dbraw/zinc/86/23/04/387862304.db2.gz UYADGWXOSJXTNY-OLZOCXBDSA-N 1 3 232.371 2.477 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000423060603 387865492 /nfs/dbraw/zinc/86/54/92/387865492.db2.gz IOQNHHSXIVDSAY-AJNGGQMLSA-N 1 3 246.354 2.024 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423060312 387865746 /nfs/dbraw/zinc/86/57/46/387865746.db2.gz OEJPINXTEWDOLP-GHMZBOCLSA-N 1 3 200.370 2.384 20 0 BEADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423057707 387865811 /nfs/dbraw/zinc/86/58/11/387865811.db2.gz ZSFJTIPKNCSAOB-KZMBYTFQSA-N 1 3 246.354 2.048 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423062021 387867464 /nfs/dbraw/zinc/86/74/64/387867464.db2.gz MCRDBOLXOMYKBQ-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000423062021 387867469 /nfs/dbraw/zinc/86/74/69/387867469.db2.gz MCRDBOLXOMYKBQ-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO CCC(O)(CC)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423067097 387869034 /nfs/dbraw/zinc/86/90/34/387869034.db2.gz GHZAGFNQDFNGIQ-STQMWFEESA-N 1 3 242.407 2.035 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423067846 387870525 /nfs/dbraw/zinc/87/05/25/387870525.db2.gz AHQREBRYQCPVSP-WTIISPKJSA-N 1 3 210.365 2.138 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@H](OC)C1)[C@H]1CCCC[NH2+]1 ZINC000423068317 387870809 /nfs/dbraw/zinc/87/08/09/387870809.db2.gz JRDXGOZVASKHRR-ZOBORPQBSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCC1(C(F)(F)F)CCC1 ZINC000423111864 387893652 /nfs/dbraw/zinc/89/36/52/387893652.db2.gz RABOSKXSZDCJKM-IUCAKERBSA-N 1 3 238.297 2.434 20 0 BEADHO C[C@@H](N[C@@H]1CCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000423109975 387894270 /nfs/dbraw/zinc/89/42/70/387894270.db2.gz OHHNMWGJKIJTPJ-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000423075239 387875055 /nfs/dbraw/zinc/87/50/55/387875055.db2.gz OCHLOTDDMFBMHK-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1CCC2(CC2)CC1 ZINC000423078801 387876186 /nfs/dbraw/zinc/87/61/86/387876186.db2.gz WTYLAYKIQWWARP-WDEREUQCSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCC2(CC2)CC1 ZINC000423078798 387876890 /nfs/dbraw/zinc/87/68/90/387876890.db2.gz WTYLAYKIQWWARP-MNOVXSKESA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](CC)Cc1cccs1 ZINC000643540329 387881009 /nfs/dbraw/zinc/88/10/09/387881009.db2.gz YNBYXVSRFRSLJN-GHMZBOCLSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423096042 387884740 /nfs/dbraw/zinc/88/47/40/387884740.db2.gz NVADBMZYXOFBKB-LPEHRKFASA-N 1 3 220.307 2.137 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000423093657 387884960 /nfs/dbraw/zinc/88/49/60/387884960.db2.gz IIYFSFTZUGKOFW-IJLUTSLNSA-N 1 3 246.345 2.400 20 0 BEADHO c1cc2cc(CC[NH2+]C3CCNCC3)ccc2[nH]1 ZINC000423095954 387885629 /nfs/dbraw/zinc/88/56/29/387885629.db2.gz GNUNNIBEUMOGPP-UHFFFAOYSA-N 1 3 243.354 2.052 20 0 BEADHO c1cc2cc(CCNC3CC[NH2+]CC3)ccc2[nH]1 ZINC000423095954 387885632 /nfs/dbraw/zinc/88/56/32/387885632.db2.gz GNUNNIBEUMOGPP-UHFFFAOYSA-N 1 3 243.354 2.052 20 0 BEADHO Cc1cccc(CCC[NH2+][C@@H](C)C[C@@H](C)N)n1 ZINC000423098472 387887361 /nfs/dbraw/zinc/88/73/61/387887361.db2.gz CTWFEXJYUYMZJC-YPMHNXCESA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccc(CCCN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423098472 387887367 /nfs/dbraw/zinc/88/73/67/387887367.db2.gz CTWFEXJYUYMZJC-YPMHNXCESA-N 1 3 235.375 2.038 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@H](C)F ZINC000423140127 387917894 /nfs/dbraw/zinc/91/78/94/387917894.db2.gz XKMIXFZUIAEWPZ-UWVGGRQHSA-N 1 3 239.338 2.247 20 0 BEADHO C=Cc1ccc(CCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000423141596 387918104 /nfs/dbraw/zinc/91/81/04/387918104.db2.gz QTQYYESBYZFDEA-GFCCVEGCSA-N 1 3 230.355 2.070 20 0 BEADHO C=Cc1ccc(CC[NH2+][C@H](C)C2CNC2)cc1 ZINC000423141596 387918106 /nfs/dbraw/zinc/91/81/06/387918106.db2.gz QTQYYESBYZFDEA-GFCCVEGCSA-N 1 3 230.355 2.070 20 0 BEADHO CC(F)(F)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423142946 387919758 /nfs/dbraw/zinc/91/97/58/387919758.db2.gz BVSJGFSMWRUCRX-ZJUUUORDSA-N 1 3 220.307 2.281 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CC2CCC1CC2 ZINC000423124199 387903508 /nfs/dbraw/zinc/90/35/08/387903508.db2.gz GCZXDYQFCQDLGT-QOKXSHCXSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[C@H](C)F ZINC000423129553 387907488 /nfs/dbraw/zinc/90/74/88/387907488.db2.gz FGWNIPJMQCMXLU-OUCADQQQSA-N 1 3 238.350 2.283 20 0 BEADHO C[C@@H](NC[C@]1(C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423129155 387907568 /nfs/dbraw/zinc/90/75/68/387907568.db2.gz DVOCIGNMKHYQDL-KCXAZCMYSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H]([NH2+]C[C@]1(C)C[C@H]1c1ccccc1)C1CNC1 ZINC000423129155 387907570 /nfs/dbraw/zinc/90/75/70/387907570.db2.gz DVOCIGNMKHYQDL-KCXAZCMYSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H](F)CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423129555 387907785 /nfs/dbraw/zinc/90/77/85/387907785.db2.gz FGWNIPJMQCMXLU-SGMGOOAPSA-N 1 3 238.350 2.283 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@H](F)C1)[C@H]1CCCC[NH2+]1 ZINC000423129216 387908310 /nfs/dbraw/zinc/90/83/10/387908310.db2.gz QWFFHISOUWFSEM-QNWHQSFQSA-N 1 3 228.355 2.387 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000423128910 387908392 /nfs/dbraw/zinc/90/83/92/387908392.db2.gz LFZXXEUISOZXER-IXPVHAAZSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1)C1CNC1 ZINC000423128910 387908396 /nfs/dbraw/zinc/90/83/96/387908396.db2.gz LFZXXEUISOZXER-IXPVHAAZSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@@H](NC[C@@H]1CSc2ccccc21)C1C[NH2+]C1 ZINC000423143333 387919585 /nfs/dbraw/zinc/91/95/85/387919585.db2.gz CQHQIUKZQJUQPY-ZYHUDNBSSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CSc2ccccc21)C1CNC1 ZINC000423143333 387919590 /nfs/dbraw/zinc/91/95/90/387919590.db2.gz CQHQIUKZQJUQPY-ZYHUDNBSSA-N 1 3 248.395 2.073 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000423133697 387911344 /nfs/dbraw/zinc/91/13/44/387911344.db2.gz VXCVGQCAMYBYND-AGIUHOORSA-N 1 3 242.432 2.107 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000423136861 387913941 /nfs/dbraw/zinc/91/39/41/387913941.db2.gz ZQEYQKSYSLWRNF-WOOKNIGNSA-N 1 3 236.281 2.044 20 0 BEADHO CC[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000423151856 387929634 /nfs/dbraw/zinc/92/96/34/387929634.db2.gz CZZSZLWGRCNWHX-TUAOUCFPSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)C1CCC1)C1CNC1 ZINC000423150987 387930253 /nfs/dbraw/zinc/93/02/53/387930253.db2.gz JNXNRQCHPZODDB-JTQLQIEISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)C1CCC1)C1CNC1 ZINC000423150988 387930459 /nfs/dbraw/zinc/93/04/59/387930459.db2.gz JNXNRQCHPZODDB-SNVBAGLBSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423157654 387937386 /nfs/dbraw/zinc/93/73/86/387937386.db2.gz BKNZWJQKWIZFAK-MROQNXINSA-N 1 3 242.407 2.153 20 0 BEADHO Cc1csc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423156942 387937540 /nfs/dbraw/zinc/93/75/40/387937540.db2.gz UPFUWTXGICGBLE-ZJUUUORDSA-N 1 3 212.362 2.272 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc21)C1CNC1 ZINC000423142710 387920462 /nfs/dbraw/zinc/92/04/62/387920462.db2.gz BHJMHTCIGBJTLS-TZMCWYRMSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H](NCC[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000423142710 387920466 /nfs/dbraw/zinc/92/04/66/387920466.db2.gz BHJMHTCIGBJTLS-TZMCWYRMSA-N 1 3 244.382 2.304 20 0 BEADHO CC[C@@H](NC[C@@H]1C[C@H]1C(C)C)[C@@H]1CCC[NH2+]1 ZINC000423148447 387924135 /nfs/dbraw/zinc/92/41/35/387924135.db2.gz GBDVYZCUGFGNNT-FQUUOJAGSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(C)C)[C@@H]1CCCN1 ZINC000423148447 387924143 /nfs/dbraw/zinc/92/41/43/387924143.db2.gz GBDVYZCUGFGNNT-FQUUOJAGSA-N 1 3 224.392 2.399 20 0 BEADHO CCn1ccnc1[C@@H](C)N[C@H](C)CCCC[NH3+] ZINC000423146891 387924432 /nfs/dbraw/zinc/92/44/32/387924432.db2.gz BNJMASAVFPJBFA-VXGBXAGGSA-N 1 3 238.379 2.071 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168908 387955037 /nfs/dbraw/zinc/95/50/37/387955037.db2.gz VIMUDMMBQGYZLQ-NWDGAFQWSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)C1(O)CCCC1 ZINC000423168908 387955041 /nfs/dbraw/zinc/95/50/41/387955041.db2.gz VIMUDMMBQGYZLQ-NWDGAFQWSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000423168910 387955175 /nfs/dbraw/zinc/95/51/75/387955175.db2.gz VIMUDMMBQGYZLQ-VXGBXAGGSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)C1(O)CCCC1 ZINC000423168910 387955177 /nfs/dbraw/zinc/95/51/77/387955177.db2.gz VIMUDMMBQGYZLQ-VXGBXAGGSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@H]1C[C@H]1C ZINC000321159190 387955314 /nfs/dbraw/zinc/95/53/14/387955314.db2.gz XBTPULVAWUTXJN-QMVSFRDZSA-N 1 3 222.376 2.247 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423158207 387939536 /nfs/dbraw/zinc/93/95/36/387939536.db2.gz CJZRDORNNJDBLI-RFQIPJPRSA-N 1 3 224.392 2.399 20 0 BEADHO FC1(F)CC(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423159063 387939777 /nfs/dbraw/zinc/93/97/77/387939777.db2.gz FECMHVYMCIOFME-FOSCPWQOSA-N 1 3 244.329 2.294 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](N)c3ccccc32)C1 ZINC000423160734 387940437 /nfs/dbraw/zinc/94/04/37/387940437.db2.gz HTOLXPIDFCKTNB-BVIHXZOGSA-N 1 3 246.354 2.288 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000423160735 387941241 /nfs/dbraw/zinc/94/12/41/387941241.db2.gz HTOLXPIDFCKTNB-IDTSFGKNSA-N 1 3 246.354 2.288 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423162399 387942650 /nfs/dbraw/zinc/94/26/50/387942650.db2.gz LAHCWWPJWNOWLQ-ZOBORPQBSA-N 1 3 222.376 2.140 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)nc1 ZINC000423162661 387944532 /nfs/dbraw/zinc/94/45/32/387944532.db2.gz LLBNHWNAADXRAW-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000423162661 387944534 /nfs/dbraw/zinc/94/45/34/387944534.db2.gz LLBNHWNAADXRAW-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000423164951 387948895 /nfs/dbraw/zinc/94/88/95/387948895.db2.gz PBYYZXMJNOVCNV-YVECIDJPSA-N 1 3 224.392 2.399 20 0 BEADHO CCC[C@@H]([NH2+][C@@H]1CCNC1)C1CCCC1 ZINC000423171394 387956470 /nfs/dbraw/zinc/95/64/70/387956470.db2.gz OHGQQAZWJNVGDS-CHWSQXEVSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423170768 387958234 /nfs/dbraw/zinc/95/82/34/387958234.db2.gz YULOCWKZSKEVHA-VZZFWQQMSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000423171897 387959620 /nfs/dbraw/zinc/95/96/20/387959620.db2.gz QLJWRPNINDHQGD-MNOVXSKESA-N 1 3 210.365 2.425 20 0 BEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCNCC1 ZINC000423184630 387970278 /nfs/dbraw/zinc/97/02/78/387970278.db2.gz MJMGEOKUXGKGHY-IUODEOHRSA-N 1 3 248.370 2.104 20 0 BEADHO C[C@H](NC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423170273 387957839 /nfs/dbraw/zinc/95/78/39/387957839.db2.gz XQYZSSYQQLKKCP-PYJNHQTQSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccncc1 ZINC000453067926 387978810 /nfs/dbraw/zinc/97/88/10/387978810.db2.gz SFIQSVDKJLMBDD-ZFWWWQNUSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCNCC2)C1 ZINC000423195540 387979367 /nfs/dbraw/zinc/97/93/67/387979367.db2.gz ZIWDVPHSXKJVHV-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CCc2c(F)cccc2[C@H]1NCCC[NH3+] ZINC000423195174 387980697 /nfs/dbraw/zinc/98/06/97/387980697.db2.gz SKUWTLKKTSHRIH-HZMBPMFUSA-N 1 3 236.334 2.388 20 0 BEADHO CC[C@H]1C[N@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245692292 387972728 /nfs/dbraw/zinc/97/27/28/387972728.db2.gz WGUJUCNFUCPKTN-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO CC[C@H]1C[N@@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245692292 387972734 /nfs/dbraw/zinc/97/27/34/387972734.db2.gz WGUJUCNFUCPKTN-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO Cc1cc([C@@H](C)NCCC[NH3+])cc(C)c1F ZINC000423188670 387973242 /nfs/dbraw/zinc/97/32/42/387973242.db2.gz MDLDDIXDBOWNMR-LLVKDONJSA-N 1 3 224.323 2.442 20 0 BEADHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868239 387973749 /nfs/dbraw/zinc/97/37/49/387973749.db2.gz IONPZCPSSSCTFZ-HZPDHXFCSA-N 1 3 244.382 2.446 20 0 BEADHO c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000106868239 387973753 /nfs/dbraw/zinc/97/37/53/387973753.db2.gz IONPZCPSSSCTFZ-HZPDHXFCSA-N 1 3 244.382 2.446 20 0 BEADHO CC(C)=CCC[C@H](C)N[C@H]1CCC[NH2+]C1 ZINC000423192143 387977662 /nfs/dbraw/zinc/97/76/62/387977662.db2.gz PNYDHRXVCVLODA-STQMWFEESA-N 1 3 210.365 2.463 20 0 BEADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NCC[NH3+] ZINC000423193072 387977920 /nfs/dbraw/zinc/97/79/20/387977920.db2.gz WLMSSTFOBLLGLW-SECBINFHSA-N 1 3 246.276 2.185 20 0 BEADHO CCCC[C@@H](C)[C@H](C)[NH2+]CCCNC ZINC000423201437 387987997 /nfs/dbraw/zinc/98/79/97/387987997.db2.gz ORJRCERJMKJQOX-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO CCCC[C@H](COC)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424366199 387991900 /nfs/dbraw/zinc/99/19/00/387991900.db2.gz IRPHPDLRBOJQAN-JHJVBQTASA-N 1 3 228.380 2.051 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1C(C)(C)C1(C)C ZINC000423209563 387993494 /nfs/dbraw/zinc/99/34/94/387993494.db2.gz VCHDBIIAKCNQPN-NXEZZACHSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCN)C1 ZINC000423196600 387982065 /nfs/dbraw/zinc/98/20/65/387982065.db2.gz VQMSDFHMKOCHNL-UONOGXRCSA-N 1 3 247.386 2.355 20 0 BEADHO Cc1cccc(C[C@H]([NH2+]CCCN)C2CC2)c1 ZINC000423196629 387982435 /nfs/dbraw/zinc/98/24/35/387982435.db2.gz VTEPUSLKSHCMOG-HNNXBMFYSA-N 1 3 232.371 2.255 20 0 BEADHO CNCCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000423198213 387983225 /nfs/dbraw/zinc/98/32/25/387983225.db2.gz DSGIQCUMPASXOK-HNNXBMFYSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]CCCN[C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423198063 387983973 /nfs/dbraw/zinc/98/39/73/387983973.db2.gz CUIFOYQCGAXFIM-OLZOCXBDSA-N 1 3 242.407 2.025 20 0 BEADHO CNCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000423198877 387985563 /nfs/dbraw/zinc/98/55/63/387985563.db2.gz IKJXCWCWDIXKRE-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CNCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423199359 387986578 /nfs/dbraw/zinc/98/65/78/387986578.db2.gz JXAPWKMYEUPVOX-SNVBAGLBSA-N 1 3 234.334 2.400 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCSCC1 ZINC000423210085 387995851 /nfs/dbraw/zinc/99/58/51/387995851.db2.gz JPJSTADEPCQPIE-VXGBXAGGSA-N 1 3 242.432 2.107 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375614 387998792 /nfs/dbraw/zinc/99/87/92/387998792.db2.gz KNWORQUUJAFXGG-AAXDQBDMSA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)CC[C@H]([NH2+][C@H]1CCNC1)C1CC1 ZINC000423216999 387999189 /nfs/dbraw/zinc/99/91/89/387999189.db2.gz RCAGKLJZFRCENM-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000423216377 387999854 /nfs/dbraw/zinc/99/98/54/387999854.db2.gz RUXOWTVGXJXQJI-RFGFWPKPSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423216869 388000520 /nfs/dbraw/zinc/00/05/20/388000520.db2.gz PFUIWXFGHZXKSF-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423223346 388004447 /nfs/dbraw/zinc/00/44/47/388004447.db2.gz GCNUALCOZHTVAF-RWMBFGLXSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)CO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423223346 388004449 /nfs/dbraw/zinc/00/44/49/388004449.db2.gz GCNUALCOZHTVAF-RWMBFGLXSA-N 1 3 242.407 2.153 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1c2ccccc2C[C@H]1C ZINC000423224182 388006427 /nfs/dbraw/zinc/00/64/27/388006427.db2.gz ILHVNIHLEJCRTA-SUNKGSAMSA-N 1 3 218.344 2.247 20 0 BEADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccccc1 ZINC000423240889 388024461 /nfs/dbraw/zinc/02/44/61/388024461.db2.gz XPOYYACVPKCLKQ-AAEUAGOBSA-N 1 3 206.333 2.465 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246151567 388013787 /nfs/dbraw/zinc/01/37/87/388013787.db2.gz CDPFHFWLGWJEDL-KBPBESRZSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246151567 388013789 /nfs/dbraw/zinc/01/37/89/388013789.db2.gz CDPFHFWLGWJEDL-KBPBESRZSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)CN(C)C ZINC000453224462 388014754 /nfs/dbraw/zinc/01/47/54/388014754.db2.gz AXGZAGOPMIHUOA-BXUZGUMPSA-N 1 3 224.392 2.352 20 0 BEADHO COc1cccc2c1CC[C@H]2NCC[C@H](C)[NH3+] ZINC000423229649 388015717 /nfs/dbraw/zinc/01/57/17/388015717.db2.gz HMIJQRIAPMJNKP-GXFFZTMASA-N 1 3 234.343 2.009 20 0 BEADHO C[NH2+]CCNC1CCC(OC2CCCC2)CC1 ZINC000423234988 388019406 /nfs/dbraw/zinc/01/94/06/388019406.db2.gz AFAQTMRPVMGJNL-UHFFFAOYSA-N 1 3 240.391 2.066 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2NCC[C@H](C)[NH3+] ZINC000423238489 388022598 /nfs/dbraw/zinc/02/25/98/388022598.db2.gz VEYRPILJMXKZMV-NHYWBVRUSA-N 1 3 248.370 2.400 20 0 BEADHO CCCC[C@H](C)[C@H](C)NCC[NH2+]CC ZINC000423239011 388022857 /nfs/dbraw/zinc/02/28/57/388022857.db2.gz RNFVROBRYKPQRF-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO Cc1ccc([C@@H](C)NCC[C@H]2CC[NH2+]C2)o1 ZINC000423254671 388036734 /nfs/dbraw/zinc/03/67/34/388036734.db2.gz ZBZPXVPZPMOUID-VXGBXAGGSA-N 1 3 222.332 2.238 20 0 BEADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)Cc1ccoc1 ZINC000423264316 388042611 /nfs/dbraw/zinc/04/26/11/388042611.db2.gz PVWPOIKFBPPPGZ-YPMHNXCESA-N 1 3 224.348 2.174 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423265330 388043775 /nfs/dbraw/zinc/04/37/75/388043775.db2.gz CVJWDZBBWOGGON-HUUCEWRRSA-N 1 3 247.386 2.496 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423243448 388026423 /nfs/dbraw/zinc/02/64/23/388026423.db2.gz WNMNJRBDSQDEOT-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCCN1 ZINC000423243448 388026426 /nfs/dbraw/zinc/02/64/26/388026426.db2.gz WNMNJRBDSQDEOT-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423245964 388028933 /nfs/dbraw/zinc/02/89/33/388028933.db2.gz YZJSTHJMJJBSPV-YNEHKIRRSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000423245964 388028936 /nfs/dbraw/zinc/02/89/36/388028936.db2.gz YZJSTHJMJJBSPV-YNEHKIRRSA-N 1 3 228.355 2.246 20 0 BEADHO CCc1cccnc1[C@@H](C)NCC[C@H]1CC[NH2+]C1 ZINC000423248746 388031147 /nfs/dbraw/zinc/03/11/47/388031147.db2.gz NSFWFAOMQGTTNS-CHWSQXEVSA-N 1 3 247.386 2.294 20 0 BEADHO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(F)cc(F)c1 ZINC000423272784 388054047 /nfs/dbraw/zinc/05/40/47/388054047.db2.gz IOHYFPOVLZVZHA-OQPBUACISA-N 1 3 240.297 2.353 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](N)C(C)C ZINC000423277445 388058604 /nfs/dbraw/zinc/05/86/04/388058604.db2.gz PPSBXRKOBQRMKY-KBPBESRZSA-N 1 3 248.370 2.255 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000423278847 388059580 /nfs/dbraw/zinc/05/95/80/388059580.db2.gz RRVRPTFNQCKTRO-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccncc1 ZINC000423277984 388060371 /nfs/dbraw/zinc/06/03/71/388060371.db2.gz QEYZBBCJQALBOY-OLZOCXBDSA-N 1 3 221.348 2.106 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2c1cccc2C ZINC000423280982 388062071 /nfs/dbraw/zinc/06/20/71/388062071.db2.gz VEJIDOJAAJUFQS-XHDPSFHLSA-N 1 3 232.371 2.427 20 0 BEADHO CCC[C@@H]([NH2+]C[C@@H](C)CNC)C1CCC1 ZINC000423280639 388062482 /nfs/dbraw/zinc/06/24/82/388062482.db2.gz VAPKRCHQNGAOLU-WCQYABFASA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2c1cccc2C ZINC000423280980 388062537 /nfs/dbraw/zinc/06/25/37/388062537.db2.gz VEJIDOJAAJUFQS-IAQYHMDHSA-N 1 3 232.371 2.427 20 0 BEADHO CNC[C@H](C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000423282007 388063688 /nfs/dbraw/zinc/06/36/88/388063688.db2.gz WEELCLMYPRHSEP-GFSREQAASA-N 1 3 236.403 2.256 20 0 BEADHO CC(C)([NH3+])CN[C@H](Cc1ccccc1)C1CC1 ZINC000423281844 388064173 /nfs/dbraw/zinc/06/41/73/388064173.db2.gz CABNJVZLJDBYHF-CQSZACIVSA-N 1 3 232.371 2.335 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000423282367 388065098 /nfs/dbraw/zinc/06/50/98/388065098.db2.gz WLLHVLTXLWESNK-MFKMUULPSA-N 1 3 210.365 2.010 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423283118 388065118 /nfs/dbraw/zinc/06/51/18/388065118.db2.gz XFRSNHLYAAVQPN-SMDDNHRTSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CC1 ZINC000324224229 388114640 /nfs/dbraw/zinc/11/46/40/388114640.db2.gz FXFZDSNPFXYDOE-UPJWGTAASA-N 1 3 210.365 2.281 20 0 BEADHO CCC([NH3+])(CC)CN[C@@H](COC)C1CCCC1 ZINC000423288593 388073149 /nfs/dbraw/zinc/07/31/49/388073149.db2.gz TWRCTSQXNIDFFC-ZDUSSCGKSA-N 1 3 242.407 2.299 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1 ZINC000084215452 388073770 /nfs/dbraw/zinc/07/37/70/388073770.db2.gz AQVMHPUPDGCRMP-KGLIPLIRSA-N 1 3 218.344 2.294 20 0 BEADHO CCO[C@@H]1C[C@H](NCC(C)(C)[NH3+])C12CCCC2 ZINC000423289594 388074390 /nfs/dbraw/zinc/07/43/90/388074390.db2.gz XUQKDOFLRKUHPN-NWDGAFQWSA-N 1 3 240.391 2.051 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(F)c1 ZINC000084218471 388075248 /nfs/dbraw/zinc/07/52/48/388075248.db2.gz ILKOPSIHLNOYFY-WCQYABFASA-N 1 3 222.307 2.043 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000423294814 388077106 /nfs/dbraw/zinc/07/71/06/388077106.db2.gz CUFCCGPWYUAFDK-ZJUUUORDSA-N 1 3 238.400 2.482 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000423294444 388077225 /nfs/dbraw/zinc/07/72/25/388077225.db2.gz BYUKXNVXSJSLGB-RYUDHWBXSA-N 1 3 232.371 2.421 20 0 BEADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc2c(c1)CCC2 ZINC000423294443 388077296 /nfs/dbraw/zinc/07/72/96/388077296.db2.gz BYUKXNVXSJSLGB-NWDGAFQWSA-N 1 3 232.371 2.421 20 0 BEADHO CCC[NH2+]CCNC1CCC2(CC2)CC1 ZINC000423295461 388077544 /nfs/dbraw/zinc/07/75/44/388077544.db2.gz AMVPQDXMWVCUIV-UHFFFAOYSA-N 1 3 210.365 2.298 20 0 BEADHO CCc1nc(C)c([C@H](C)NC[C@H](C)C[NH3+])s1 ZINC000423295547 388077699 /nfs/dbraw/zinc/07/76/99/388077699.db2.gz FCRMAJBFRHSWLK-BDAKNGLRSA-N 1 3 241.404 2.259 20 0 BEADHO CCC[C@H](NC[C@H](C)C[NH3+])c1cccnc1 ZINC000423298433 388080308 /nfs/dbraw/zinc/08/03/08/388080308.db2.gz AACGURXOQKDCDV-YPMHNXCESA-N 1 3 221.348 2.107 20 0 BEADHO Cc1ccc2c(c1)OCCC[C@@H]2NC[C@H](C)C[NH3+] ZINC000423298389 388080312 /nfs/dbraw/zinc/08/03/12/388080312.db2.gz OGAFVDWBLDBRED-OCCSQVGLSA-N 1 3 248.370 2.393 20 0 BEADHO Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403264 388101332 /nfs/dbraw/zinc/10/13/32/388101332.db2.gz JKIYZIXUMKZRHK-KGLIPLIRSA-N 1 3 218.344 2.355 20 0 BEADHO Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403262 388101354 /nfs/dbraw/zinc/10/13/54/388101354.db2.gz JKIYZIXUMKZRHK-ZIAGYGMSSA-N 1 3 218.344 2.355 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccccc2)C1 ZINC000086401669 388101543 /nfs/dbraw/zinc/10/15/43/388101543.db2.gz CRTKMMPQFUSCPW-QWHCGFSZSA-N 1 3 204.317 2.046 20 0 BEADHO CSCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494486 388104011 /nfs/dbraw/zinc/10/40/11/388104011.db2.gz WXTWDRARRHDWTH-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N)C(C)C)CC2 ZINC000423270592 388048992 /nfs/dbraw/zinc/04/89/92/388048992.db2.gz ICSILLFYEPVABM-GJZGRUSLSA-N 1 3 248.370 2.255 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+]CCCN1CCCC1 ZINC000449219526 388159131 /nfs/dbraw/zinc/15/91/31/388159131.db2.gz NPAMLZYOVROJQQ-CYBMUJFWSA-N 1 3 236.359 2.286 20 0 BEADHO C[C@H](Cc1ccoc1)NCCC[NH+]1CCCC1 ZINC000449219526 388159133 /nfs/dbraw/zinc/15/91/33/388159133.db2.gz NPAMLZYOVROJQQ-CYBMUJFWSA-N 1 3 236.359 2.286 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000324875047 388125503 /nfs/dbraw/zinc/12/55/03/388125503.db2.gz CPDSLZNPEKIOKM-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO CCCN[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000449124152 388145434 /nfs/dbraw/zinc/14/54/34/388145434.db2.gz FSTBTXRWDFTCGE-GHMZBOCLSA-N 1 3 249.358 2.033 20 0 BEADHO C[C@@H](Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561258 388232537 /nfs/dbraw/zinc/23/25/37/388232537.db2.gz TWGOTNVPZXUEOL-PRTUASRFSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H](Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561258 388232539 /nfs/dbraw/zinc/23/25/39/388232539.db2.gz TWGOTNVPZXUEOL-PRTUASRFSA-N 1 3 248.370 2.425 20 0 BEADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CN ZINC000336693619 388463455 /nfs/dbraw/zinc/46/34/55/388463455.db2.gz NJKIIFQVBKJLGC-AGIUHOORSA-N 1 3 212.381 2.386 20 0 BEADHO CCS[C@@H]1CC[C@@H](N(C)CCC[NH2+]C)C1 ZINC000336719422 388468105 /nfs/dbraw/zinc/46/81/05/388468105.db2.gz YEMQVQMZHDTJJW-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@@H]1CC[C@@H]([N@H+](C)CCCNC)C1 ZINC000336719422 388468108 /nfs/dbraw/zinc/46/81/08/388468108.db2.gz YEMQVQMZHDTJJW-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCNC)C1 ZINC000336719422 388468110 /nfs/dbraw/zinc/46/81/10/388468110.db2.gz YEMQVQMZHDTJJW-VXGBXAGGSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCSCC1 ZINC000336725244 388470434 /nfs/dbraw/zinc/47/04/34/388470434.db2.gz BKNZYWTYRZXGBA-NWDGAFQWSA-N 1 3 244.448 2.305 20 0 BEADHO CCC[NH+](CCC)CCCNCC1(O)CCC1 ZINC000573083664 388418918 /nfs/dbraw/zinc/41/89/18/388418918.db2.gz AKVHBYQYOHDWBT-UHFFFAOYSA-N 1 3 242.407 2.003 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1cccs1 ZINC000517123141 388538046 /nfs/dbraw/zinc/53/80/46/388538046.db2.gz WPYIASBXQIQRGC-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCc1cccs1 ZINC000517123141 388538051 /nfs/dbraw/zinc/53/80/51/388538051.db2.gz WPYIASBXQIQRGC-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1cccs1 ZINC000517123140 388538745 /nfs/dbraw/zinc/53/87/45/388538745.db2.gz WPYIASBXQIQRGC-MNOVXSKESA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1cccs1 ZINC000517123140 388538746 /nfs/dbraw/zinc/53/87/46/388538746.db2.gz WPYIASBXQIQRGC-MNOVXSKESA-N 1 3 226.389 2.396 20 0 BEADHO CO[C@H](CNC1CC[NH+](C(C)C)CC1)C(C)C ZINC000341284430 388494975 /nfs/dbraw/zinc/49/49/75/388494975.db2.gz PUPXEXYHHOIPRA-CQSZACIVSA-N 1 3 242.407 2.120 20 0 BEADHO C1[C@@H]2C[C@@H]([NH2+][C@H]3CCN4CCC[C@@H]4C3)C[C@H]12 ZINC000397749363 388496480 /nfs/dbraw/zinc/49/64/80/388496480.db2.gz OQNQRWGVYOPSGC-ZUWCUPBKSA-N 1 3 220.360 2.001 20 0 BEADHO CC(C)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346832535 388520453 /nfs/dbraw/zinc/52/04/53/388520453.db2.gz QXEGAEZHXGSDSM-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346832535 388520455 /nfs/dbraw/zinc/52/04/55/388520455.db2.gz QXEGAEZHXGSDSM-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000346663851 388520829 /nfs/dbraw/zinc/52/08/29/388520829.db2.gz XDRUCEFOGTUPED-IGQOVBAYSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2C)C1 ZINC000346663851 388520831 /nfs/dbraw/zinc/52/08/31/388520831.db2.gz XDRUCEFOGTUPED-IGQOVBAYSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](CN)C2)C1 ZINC000347093875 388521720 /nfs/dbraw/zinc/52/17/20/388521720.db2.gz GUQGYRUDRCRMGF-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](CN)C2)C1 ZINC000347093875 388521722 /nfs/dbraw/zinc/52/17/22/388521722.db2.gz GUQGYRUDRCRMGF-HZSPNIEDSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)OCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000328202295 388586141 /nfs/dbraw/zinc/58/61/41/388586141.db2.gz GINKHGGATGJTGF-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@@H](C)[N@H+](C)CCCN(CC)CC ZINC000187672845 388610552 /nfs/dbraw/zinc/61/05/52/388610552.db2.gz SPCSYEZXGWVHIL-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CC[C@@H](C)[N@@H+](C)CCCN(CC)CC ZINC000187672845 388610554 /nfs/dbraw/zinc/61/05/54/388610554.db2.gz SPCSYEZXGWVHIL-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CC[C@@H](C)N(C)CCC[NH+](CC)CC ZINC000187672845 388610556 /nfs/dbraw/zinc/61/05/56/388610556.db2.gz SPCSYEZXGWVHIL-GFCCVEGCSA-N 1 3 200.370 2.449 20 0 BEADHO CCSCCN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245445643 388579872 /nfs/dbraw/zinc/57/98/72/388579872.db2.gz ZBRAWCMEJDBGLS-STQMWFEESA-N 1 3 244.448 2.402 20 0 BEADHO CCSCCN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245445643 388579874 /nfs/dbraw/zinc/57/98/74/388579874.db2.gz ZBRAWCMEJDBGLS-STQMWFEESA-N 1 3 244.448 2.402 20 0 BEADHO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@H]2CN)C[C@@H](C)O1 ZINC000521983281 388672545 /nfs/dbraw/zinc/67/25/45/388672545.db2.gz NTEBJVOAECPJMX-NRWUCQMLSA-N 1 3 240.391 2.050 20 0 BEADHO CC[C@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000248373987 388677367 /nfs/dbraw/zinc/67/73/67/388677367.db2.gz NBMUDDKVYMFFPT-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000248373987 388677368 /nfs/dbraw/zinc/67/73/68/388677368.db2.gz NBMUDDKVYMFFPT-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000248373987 388677369 /nfs/dbraw/zinc/67/73/69/388677369.db2.gz NBMUDDKVYMFFPT-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCc1ccc(C[NH2+]CC2(N)CCC2)s1 ZINC000225366764 388678565 /nfs/dbraw/zinc/67/85/65/388678565.db2.gz JBCVLGCTTIDEFB-UHFFFAOYSA-N 1 3 224.373 2.282 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530176038 388619073 /nfs/dbraw/zinc/61/90/73/388619073.db2.gz AHFOIFSMYIUBSS-GRYCIOLGSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530176039 388619145 /nfs/dbraw/zinc/61/91/45/388619145.db2.gz AHFOIFSMYIUBSS-IJLUTSLNSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530176285 388620825 /nfs/dbraw/zinc/62/08/25/388620825.db2.gz AKINQRPZNMKSAE-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO CCCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000530176691 388622012 /nfs/dbraw/zinc/62/20/12/388622012.db2.gz JWALNLYBTVJDKM-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530206303 388627054 /nfs/dbraw/zinc/62/70/54/388627054.db2.gz AJVYDLUVHZJVKM-IEECTRCBSA-N 1 3 210.365 2.138 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CC2CC(C)(C)C2)C1 ZINC000530209322 388627640 /nfs/dbraw/zinc/62/76/40/388627640.db2.gz IWZWHMZYLBSAPM-LBPRGKRZSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530209322 388627642 /nfs/dbraw/zinc/62/76/42/388627642.db2.gz IWZWHMZYLBSAPM-LBPRGKRZSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209322 388627644 /nfs/dbraw/zinc/62/76/44/388627644.db2.gz IWZWHMZYLBSAPM-LBPRGKRZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530213070 388628270 /nfs/dbraw/zinc/62/82/70/388628270.db2.gz TTYLTTHMKOAKFU-WCQYABFASA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213070 388628274 /nfs/dbraw/zinc/62/82/74/388628274.db2.gz TTYLTTHMKOAKFU-WCQYABFASA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530213068 388628291 /nfs/dbraw/zinc/62/82/91/388628291.db2.gz TTYLTTHMKOAKFU-DGCLKSJQSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213068 388628293 /nfs/dbraw/zinc/62/82/93/388628293.db2.gz TTYLTTHMKOAKFU-DGCLKSJQSA-N 1 3 224.392 2.482 20 0 BEADHO CCC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)OCC ZINC000530214336 388629628 /nfs/dbraw/zinc/62/96/28/388629628.db2.gz XXNLDLBVCMBSHV-FRRDWIJNSA-N 1 3 228.380 2.051 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C(C)(C)C ZINC000530216295 388629988 /nfs/dbraw/zinc/62/99/88/388629988.db2.gz AFADZDBNTDVFDJ-MNOVXSKESA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1CC1(C)C ZINC000530217647 388630262 /nfs/dbraw/zinc/63/02/62/388630262.db2.gz URYMNCVXKJUVGO-TUAOUCFPSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530217919 388630283 /nfs/dbraw/zinc/63/02/83/388630283.db2.gz JCWDBKXJBDBPEG-QWHCGFSZSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530217919 388630286 /nfs/dbraw/zinc/63/02/86/388630286.db2.gz JCWDBKXJBDBPEG-QWHCGFSZSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H]1CN(CC2CC(C)(C)C2)CC[C@H]1[NH3+] ZINC000530217919 388630289 /nfs/dbraw/zinc/63/02/89/388630289.db2.gz JCWDBKXJBDBPEG-QWHCGFSZSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1C[C@@H]1C ZINC000530216142 388630548 /nfs/dbraw/zinc/63/05/48/388630548.db2.gz MVYIMMVHRFWUKG-ZDEQEGDKSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1C[C@@H]1C ZINC000530216142 388630551 /nfs/dbraw/zinc/63/05/51/388630551.db2.gz MVYIMMVHRFWUKG-ZDEQEGDKSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C(C)(C)C ZINC000530216294 388630958 /nfs/dbraw/zinc/63/09/58/388630958.db2.gz AFADZDBNTDVFDJ-GHMZBOCLSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](NC1CCC([NH3+])CC1)c1ncccc1F ZINC000530223090 388634292 /nfs/dbraw/zinc/63/42/92/388634292.db2.gz MOKFKNTYOZYWGW-WHXUTIOJSA-N 1 3 237.322 2.141 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000530222912 388634716 /nfs/dbraw/zinc/63/47/16/388634716.db2.gz IRNCGANPUMHQSV-DGCLKSJQSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000530222912 388634718 /nfs/dbraw/zinc/63/47/18/388634718.db2.gz IRNCGANPUMHQSV-DGCLKSJQSA-N 1 3 224.392 2.339 20 0 BEADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227540244 388752282 /nfs/dbraw/zinc/75/22/82/388752282.db2.gz SVZUKDWXJXUJDS-KBUPBQIOSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H](NCC1CC[NH+](C)CC1)c1cncs1 ZINC000126247600 388692489 /nfs/dbraw/zinc/69/24/89/388692489.db2.gz LWHUYFXICLVBRC-JTQLQIEISA-N 1 3 239.388 2.136 20 0 BEADHO C[N@H+](CCC(C)(C)C)[C@H]1CCCNCC1 ZINC000226448853 388719532 /nfs/dbraw/zinc/71/95/32/388719532.db2.gz XTZBEMOJDLYEEF-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO C[N@@H+](CCC(C)(C)C)[C@H]1CCCNCC1 ZINC000226448853 388719534 /nfs/dbraw/zinc/71/95/34/388719534.db2.gz XTZBEMOJDLYEEF-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[N@@H+]1CC[C@H](NCC=C(C)C)[C@@H](C)C1 ZINC000249692548 388731635 /nfs/dbraw/zinc/73/16/35/388731635.db2.gz XHCPIYDFYBWYDN-STQMWFEESA-N 1 3 210.365 2.273 20 0 BEADHO CC[N@H+]1CC[C@H](NCC=C(C)C)[C@@H](C)C1 ZINC000249692548 388731636 /nfs/dbraw/zinc/73/16/36/388731636.db2.gz XHCPIYDFYBWYDN-STQMWFEESA-N 1 3 210.365 2.273 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000228060908 388767756 /nfs/dbraw/zinc/76/77/56/388767756.db2.gz PQXMVIBZBVQHSA-MWLCHTKSSA-N 1 3 224.373 2.226 20 0 BEADHO CSCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703049 388771910 /nfs/dbraw/zinc/77/19/10/388771910.db2.gz BVZGTHZHIBGPLJ-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703049 388771914 /nfs/dbraw/zinc/77/19/14/388771914.db2.gz BVZGTHZHIBGPLJ-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CSCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252703049 388771916 /nfs/dbraw/zinc/77/19/16/388771916.db2.gz BVZGTHZHIBGPLJ-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CCOC[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000250479418 388790138 /nfs/dbraw/zinc/79/01/38/388790138.db2.gz FMTKTDGDVANNIN-HZSPNIEDSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000300240684 388835090 /nfs/dbraw/zinc/83/50/90/388835090.db2.gz FQUDZKXOQKKKDA-LPWJVIDDSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)C1CNC1 ZINC000564988685 388905753 /nfs/dbraw/zinc/90/57/53/388905753.db2.gz NSYDROGYTNPUTO-XVSSEFHLSA-N 1 3 222.376 2.010 20 0 BEADHO C([NH2+][C@H]1CCCNCC1)[C@H]1CCCCS1 ZINC000168773085 533372115 /nfs/dbraw/zinc/37/21/15/533372115.db2.gz VPRWSIWPKDAOSU-NWDGAFQWSA-N 1 3 228.405 2.004 20 0 BEADHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCS1 ZINC000168773085 533372117 /nfs/dbraw/zinc/37/21/17/533372117.db2.gz VPRWSIWPKDAOSU-NWDGAFQWSA-N 1 3 228.405 2.004 20 0 BEADHO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccn1 ZINC000274918803 132204537 /nfs/dbraw/zinc/20/45/37/132204537.db2.gz OTPKBPGOFJQGFP-ZFWWWQNUSA-N 1 3 245.370 2.311 20 0 BEADHO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccn1 ZINC000274918803 132204540 /nfs/dbraw/zinc/20/45/40/132204540.db2.gz OTPKBPGOFJQGFP-ZFWWWQNUSA-N 1 3 245.370 2.311 20 0 BEADHO [NH3+]C[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000044532198 132225225 /nfs/dbraw/zinc/22/52/25/132225225.db2.gz PACKYJFLTFIOBS-LBPRGKRZSA-N 1 3 241.338 2.410 20 0 BEADHO CCN1C[C@@H](C)N(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000357701758 132274887 /nfs/dbraw/zinc/27/48/87/132274887.db2.gz XNDFOTDPSARFNU-CHWSQXEVSA-N 1 3 233.359 2.309 20 0 BEADHO Cc1c[nH+]ccc1N1CCN(C)[C@H](C(C)C)C1 ZINC000358915265 132275769 /nfs/dbraw/zinc/27/57/69/132275769.db2.gz NKDMNEQYAZGXIU-AWEZNQCLSA-N 1 3 233.359 2.166 20 0 BEADHO C[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000052272859 132362124 /nfs/dbraw/zinc/36/21/24/132362124.db2.gz UHCJZRGFPDMTLK-BXUZGUMPSA-N 1 3 231.343 2.048 20 0 BEADHO C[C@H]1C[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000052272857 132362207 /nfs/dbraw/zinc/36/22/07/132362207.db2.gz UHCJZRGFPDMTLK-FZMZJTMJSA-N 1 3 231.343 2.048 20 0 BEADHO NC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000335985687 134038785 /nfs/dbraw/zinc/03/87/85/134038785.db2.gz GFQNVUGAUIGCTQ-CYBMUJFWSA-N 1 3 234.318 2.284 20 0 BEADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCF)C1 ZINC000352031258 134045047 /nfs/dbraw/zinc/04/50/47/134045047.db2.gz ZHICPUFROUQVQA-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCF)C1 ZINC000352031258 134045048 /nfs/dbraw/zinc/04/50/48/134045048.db2.gz ZHICPUFROUQVQA-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352031258 134045049 /nfs/dbraw/zinc/04/50/49/134045049.db2.gz ZHICPUFROUQVQA-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352031258 134045050 /nfs/dbraw/zinc/04/50/50/134045050.db2.gz ZHICPUFROUQVQA-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCc1cc(N2CCN(C(C)C)CC2)cc[nH+]1 ZINC000336195205 134125600 /nfs/dbraw/zinc/12/56/00/134125600.db2.gz SNVBVIMZGVGWMJ-UHFFFAOYSA-N 1 3 233.359 2.174 20 0 BEADHO CCc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000336201593 134130982 /nfs/dbraw/zinc/13/09/82/134130982.db2.gz ZTLMDJDLBSEUCS-HNNXBMFYSA-N 1 3 245.370 2.176 20 0 BEADHO CCc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)ccn1 ZINC000336201593 134130983 /nfs/dbraw/zinc/13/09/83/134130983.db2.gz ZTLMDJDLBSEUCS-HNNXBMFYSA-N 1 3 245.370 2.176 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000168755666 134247704 /nfs/dbraw/zinc/24/77/04/134247704.db2.gz DFMCYDCQSGUIIW-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000217529610 134248489 /nfs/dbraw/zinc/24/84/89/134248489.db2.gz QIKLPOPRTBEGTO-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](C[N@H+]1CCC[C@@H](CN)C1)c1ccccc1 ZINC000217529610 134248490 /nfs/dbraw/zinc/24/84/90/134248490.db2.gz QIKLPOPRTBEGTO-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@@H](CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217529610 134248491 /nfs/dbraw/zinc/24/84/91/134248491.db2.gz QIKLPOPRTBEGTO-KBPBESRZSA-N 1 3 232.371 2.461 20 0 BEADHO CC(C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000169231478 134250127 /nfs/dbraw/zinc/25/01/27/134250127.db2.gz ACTKCCVGUYWYCS-QWHCGFSZSA-N 1 3 204.317 2.377 20 0 BEADHO CCCC[C@H](COC)[NH2+]CCCN1CCCC1 ZINC000178413582 134310115 /nfs/dbraw/zinc/31/01/15/134310115.db2.gz HBFVHMOMVBEVIR-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO CCCC[C@H](COC)NCCC[NH+]1CCCC1 ZINC000178413582 134310116 /nfs/dbraw/zinc/31/01/16/134310116.db2.gz HBFVHMOMVBEVIR-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO Cc1c[nH+]ccc1N1CCN2CCCC[C@H]2C1 ZINC000248664176 135017993 /nfs/dbraw/zinc/01/79/93/135017993.db2.gz KQEJKFKPIIBOSG-ZDUSSCGKSA-N 1 3 231.343 2.065 20 0 BEADHO COCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000249837292 135046036 /nfs/dbraw/zinc/04/60/36/135046036.db2.gz XFELAOGTECLDIA-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCCOC1 ZINC000251556846 135071687 /nfs/dbraw/zinc/07/16/87/135071687.db2.gz ADVDMASHOYPGNI-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCCOC1 ZINC000251556846 135071690 /nfs/dbraw/zinc/07/16/90/135071690.db2.gz ADVDMASHOYPGNI-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCCOC1 ZINC000251556846 135071692 /nfs/dbraw/zinc/07/16/92/135071692.db2.gz ADVDMASHOYPGNI-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1(C)CC1 ZINC000251699889 135074471 /nfs/dbraw/zinc/07/44/71/135074471.db2.gz XFXDIWCKFYAMSY-XQQFMLRXSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C[C@H]1C ZINC000251976526 135082871 /nfs/dbraw/zinc/08/28/71/135082871.db2.gz YLIOJJZTNSRMGA-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO CN(CCc1cccs1)C[C@@H]1CCC[NH2+]C1 ZINC000086440967 135085424 /nfs/dbraw/zinc/08/54/24/135085424.db2.gz DTPKPYABQUVLLD-GFCCVEGCSA-N 1 3 238.400 2.222 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)CC1 ZINC000252205670 135086305 /nfs/dbraw/zinc/08/63/05/135086305.db2.gz VBELMGPTCORLOO-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)CC1 ZINC000252205670 135086308 /nfs/dbraw/zinc/08/63/08/135086308.db2.gz VBELMGPTCORLOO-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCC1 ZINC000086501045 135088352 /nfs/dbraw/zinc/08/83/52/135088352.db2.gz LCAUEIKESIDJIV-YPMHNXCESA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCC1 ZINC000086501043 135088417 /nfs/dbraw/zinc/08/84/17/135088417.db2.gz LCAUEIKESIDJIV-AAEUAGOBSA-N 1 3 210.365 2.439 20 0 BEADHO CC1(C)CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000086873844 135099068 /nfs/dbraw/zinc/09/90/68/135099068.db2.gz WLFMQFGYUFUPOU-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000086873846 135099744 /nfs/dbraw/zinc/09/97/44/135099744.db2.gz WLFMQFGYUFUPOU-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccsc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086884473 135099848 /nfs/dbraw/zinc/09/98/48/135099848.db2.gz SNXWKUQNDKWVLI-MNOVXSKESA-N 1 3 224.373 2.226 20 0 BEADHO CCSCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252816519 135111880 /nfs/dbraw/zinc/11/18/80/135111880.db2.gz KMJVVIQMIYHQLA-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CCSCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252816519 135111883 /nfs/dbraw/zinc/11/18/83/135111883.db2.gz KMJVVIQMIYHQLA-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000252890552 135116428 /nfs/dbraw/zinc/11/64/28/135116428.db2.gz HSGQEBFLXRMXIJ-UKRRQHHQSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000252890552 135116430 /nfs/dbraw/zinc/11/64/30/135116430.db2.gz HSGQEBFLXRMXIJ-UKRRQHHQSA-N 1 3 232.371 2.425 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)CC1 ZINC000253128195 135122494 /nfs/dbraw/zinc/12/24/94/135122494.db2.gz MWAJVHMXEGSCOA-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCN(CCc2ccccc2)C[C@H]1C[NH3+] ZINC000253237441 135124947 /nfs/dbraw/zinc/12/49/47/135124947.db2.gz OYSUCDPVLWUZII-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H]1CC[N@H+](CCc2ccccc2)C[C@H]1CN ZINC000253237441 135124948 /nfs/dbraw/zinc/12/49/48/135124948.db2.gz OYSUCDPVLWUZII-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@H]1CN ZINC000253237441 135124950 /nfs/dbraw/zinc/12/49/50/135124950.db2.gz OYSUCDPVLWUZII-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000253285780 135125910 /nfs/dbraw/zinc/12/59/10/135125910.db2.gz OAUJZIDOXZYVBN-NDBYEHHHSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)c(C)c1 ZINC000258769531 135133737 /nfs/dbraw/zinc/13/37/37/135133737.db2.gz AZWOYXUAUQZFNZ-KBPBESRZSA-N 1 3 218.344 2.273 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257737986 135140834 /nfs/dbraw/zinc/14/08/34/135140834.db2.gz YJESFOKPQNOMDY-MRXNPFEDSA-N 1 3 244.382 2.489 20 0 BEADHO CNCCC[N@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000087472194 135141667 /nfs/dbraw/zinc/14/16/67/135141667.db2.gz WFJBAPHIRXNMPB-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 ZINC000087472194 135141670 /nfs/dbraw/zinc/14/16/70/135141670.db2.gz WFJBAPHIRXNMPB-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCC[C@H](C)C1 ZINC000087472194 135141671 /nfs/dbraw/zinc/14/16/71/135141671.db2.gz WFJBAPHIRXNMPB-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCN2)C1 ZINC000261529210 135154948 /nfs/dbraw/zinc/15/49/48/135154948.db2.gz AJHJJCDWPYBIEO-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1[C@H]([NH3+])CCN1C[C@H]1CCC[C@@H](C)C1 ZINC000261530634 135158488 /nfs/dbraw/zinc/15/84/88/135158488.db2.gz CWZZBTQGWYSFDC-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO CC1CCC(C[NH2+]C[C@H]2CCCNC2)CC1 ZINC000087647179 135160768 /nfs/dbraw/zinc/16/07/68/135160768.db2.gz BADKRDQLPBFRFX-RUXDESIVSA-N 1 3 224.392 2.402 20 0 BEADHO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000261532378 135162246 /nfs/dbraw/zinc/16/22/46/135162246.db2.gz AFMCSOSOKCQECM-YNEHKIRRSA-N 1 3 242.432 2.392 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261532864 135163214 /nfs/dbraw/zinc/16/32/14/135163214.db2.gz KLGWZNIDTULJDQ-TUAOUCFPSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261532865 135164404 /nfs/dbraw/zinc/16/44/04/135164404.db2.gz KLGWZNIDTULJDQ-UTUOFQBUSA-N 1 3 210.365 2.282 20 0 BEADHO CC1CCC([NH2+][C@H]2CCNC[C@@H]2C)CC1 ZINC000261534827 135168300 /nfs/dbraw/zinc/16/83/00/135168300.db2.gz NCCFOCSYULLSJT-MVKMKZAISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](C1CC1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261534969 135168673 /nfs/dbraw/zinc/16/86/73/135168673.db2.gz UXZYBFWGLBDNEC-RYUDHWBXSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H](C1CC1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261534969 135168675 /nfs/dbraw/zinc/16/86/75/135168675.db2.gz UXZYBFWGLBDNEC-RYUDHWBXSA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261536369 135171106 /nfs/dbraw/zinc/17/11/06/135171106.db2.gz RKRZMJPEQLIEJF-TUAOUCFPSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCCS1 ZINC000087792748 135171470 /nfs/dbraw/zinc/17/14/70/135171470.db2.gz FEZGHORLLIHIMT-JHJVBQTASA-N 1 3 242.432 2.379 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000261537021 135173055 /nfs/dbraw/zinc/17/30/55/135173055.db2.gz UPBDOCGOENLOID-UTLUCORTSA-N 1 3 210.296 2.212 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CC1CCCC1 ZINC000261536870 135173473 /nfs/dbraw/zinc/17/34/73/135173473.db2.gz UBMYBWSHVTZFKD-GFCCVEGCSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2)C[C@@H]1C ZINC000261537705 135174376 /nfs/dbraw/zinc/17/43/76/135174376.db2.gz WFELSUDSWVFUSN-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000261538778 135177333 /nfs/dbraw/zinc/17/73/33/135177333.db2.gz ZHEQYJQCLGTVCK-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2)[C@H](C)C1 ZINC000261538778 135177335 /nfs/dbraw/zinc/17/73/35/135177335.db2.gz ZHEQYJQCLGTVCK-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CCc1ccccc1 ZINC000261543983 135184689 /nfs/dbraw/zinc/18/46/89/135184689.db2.gz DJNKWOSTHVOHDB-CQSZACIVSA-N 1 3 232.371 2.207 20 0 BEADHO CC1(C)C[NH2+]CC[C@H]1NCCc1ccccc1 ZINC000261543983 135184690 /nfs/dbraw/zinc/18/46/90/135184690.db2.gz DJNKWOSTHVOHDB-CQSZACIVSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H](N(C)C[C@@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543742 135185019 /nfs/dbraw/zinc/18/50/19/135185019.db2.gz ICLORWCZVGKEHU-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1(C)C ZINC000261544460 135185160 /nfs/dbraw/zinc/18/51/60/135185160.db2.gz YFNCRNSLQOBOBF-QNWHQSFQSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000261544460 135185161 /nfs/dbraw/zinc/18/51/61/135185161.db2.gz YFNCRNSLQOBOBF-QNWHQSFQSA-N 1 3 240.391 2.050 20 0 BEADHO CCC(C)(C)CCN1CCC([NH2+]C)CC1 ZINC000261544016 135185307 /nfs/dbraw/zinc/18/53/07/135185307.db2.gz IKWHRWROFIVTHK-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(C)(C)CC[NH+]1CCC(NC)CC1 ZINC000261544016 135185308 /nfs/dbraw/zinc/18/53/08/135185308.db2.gz IKWHRWROFIVTHK-UHFFFAOYSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H]1COCC[C@@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261558245 135198500 /nfs/dbraw/zinc/19/85/00/135198500.db2.gz DBXMRYFZEVHEII-RABLLNBGSA-N 1 3 246.354 2.146 20 0 BEADHO Cc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561710 135202736 /nfs/dbraw/zinc/20/27/36/135202736.db2.gz VRTWUIFDHCVLAI-ZFWWWQNUSA-N 1 3 230.355 2.036 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261563263 135205108 /nfs/dbraw/zinc/20/51/08/135205108.db2.gz WWNIUKMBJZUMLE-NSHDSACASA-N 1 3 236.359 2.473 20 0 BEADHO C[C@H]1CNCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000261565147 135207290 /nfs/dbraw/zinc/20/72/90/135207290.db2.gz HQTBZGOZCRAUJH-YZQVSVNPSA-N 1 3 248.414 2.399 20 0 BEADHO Cc1ccccc1C[C@@H](C)NCC(C)(C)[NH3+] ZINC000261567033 135209359 /nfs/dbraw/zinc/20/93/59/135209359.db2.gz DVGGBLZYXULRHG-GFCCVEGCSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@@H]2C)cc1 ZINC000261567793 135209815 /nfs/dbraw/zinc/20/98/15/135209815.db2.gz FDECRWUYGUMLAU-GXTWGEPZSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1ccccc1C[C@H](C)N[C@@H](C)[C@@H](C)[NH3+] ZINC000261568616 135209997 /nfs/dbraw/zinc/20/99/97/135209997.db2.gz FQOYLXKHECKHQT-XQQFMLRXSA-N 1 3 220.360 2.251 20 0 BEADHO Cc1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000261569481 135210912 /nfs/dbraw/zinc/21/09/12/135210912.db2.gz JWNAPEQBXWNWAX-ZBFHGGJFSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261569198 135211507 /nfs/dbraw/zinc/21/15/07/135211507.db2.gz JPTRGPMHCOVEIA-JYJNAYRXSA-N 1 3 244.382 2.473 20 0 BEADHO CC[C@H](NCCC[NH3+])c1cccc(F)c1 ZINC000164077992 135213265 /nfs/dbraw/zinc/21/32/65/135213265.db2.gz FLOLMDDWLKVYTC-LBPRGKRZSA-N 1 3 210.296 2.215 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@H](N)[C@H]2C)c1C ZINC000261576596 135217777 /nfs/dbraw/zinc/21/77/77/135217777.db2.gz KKGGXUAVNQYDLW-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@H](N)[C@H]2C)c1C ZINC000261576596 135217778 /nfs/dbraw/zinc/21/77/78/135217778.db2.gz KKGGXUAVNQYDLW-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000261578957 135219544 /nfs/dbraw/zinc/21/95/44/135219544.db2.gz PFJODEJQBYDGGN-MRXNPFEDSA-N 1 3 244.382 2.489 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)NCC(C)(C)[NH3+] ZINC000261579152 135219930 /nfs/dbraw/zinc/21/99/30/135219930.db2.gz MCDNTNHKMYHUBB-JTQLQIEISA-N 1 3 224.323 2.084 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@H](N)[C@@H]2C)c(C)c1 ZINC000261579235 135220145 /nfs/dbraw/zinc/22/01/45/135220145.db2.gz MGCLVKJCRNLOPU-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@H](N)[C@@H]2C)c(C)c1 ZINC000261579235 135220146 /nfs/dbraw/zinc/22/01/46/135220146.db2.gz MGCLVKJCRNLOPU-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261583186 135224119 /nfs/dbraw/zinc/22/41/19/135224119.db2.gz RQZSOLQXXCRMCT-JYJNAYRXSA-N 1 3 244.382 2.473 20 0 BEADHO C[C@H]1CN(CC2CCC(C)(C)CC2)C[C@H]1[NH3+] ZINC000261587257 135228573 /nfs/dbraw/zinc/22/85/73/135228573.db2.gz RPIYWLFIMCJURV-WCQYABFASA-N 1 3 224.392 2.482 20 0 BEADHO Cc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261546220 135238272 /nfs/dbraw/zinc/23/82/72/135238272.db2.gz GRGCUMVSEXEEKM-RRFJBIMHSA-N 1 3 230.355 2.164 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261547390 135240273 /nfs/dbraw/zinc/24/02/73/135240273.db2.gz MHSPCQAWSLPLQQ-MCIONIFRSA-N 1 3 222.376 2.108 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000261547390 135240274 /nfs/dbraw/zinc/24/02/74/135240274.db2.gz MHSPCQAWSLPLQQ-MCIONIFRSA-N 1 3 222.376 2.108 20 0 BEADHO COC[C@]1(CNC2CCCCCC2)CCC[NH2+]1 ZINC000261548259 135241576 /nfs/dbraw/zinc/24/15/76/135241576.db2.gz JFVPAMGDMYVLJA-CQSZACIVSA-N 1 3 240.391 2.067 20 0 BEADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@@H+]1C ZINC000261613988 135244085 /nfs/dbraw/zinc/24/40/85/135244085.db2.gz APCUMVYQUZTZOP-DOMZBBRYSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@@H]1C[C@@H](N(C)Cc2cccc(N)c2)CC[N@H+]1C ZINC000261613988 135244087 /nfs/dbraw/zinc/24/40/87/135244087.db2.gz APCUMVYQUZTZOP-DOMZBBRYSA-N 1 3 247.386 2.183 20 0 BEADHO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H]1CCCNC1 ZINC000261749102 135249993 /nfs/dbraw/zinc/24/99/93/135249993.db2.gz LRJOZIXNYFPQDR-STQMWFEESA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H]1CC2(CCC2)C[N@H+]1C[C@H]1CCCNC1 ZINC000261749102 135249994 /nfs/dbraw/zinc/24/99/94/135249994.db2.gz LRJOZIXNYFPQDR-STQMWFEESA-N 1 3 222.376 2.251 20 0 BEADHO CS[C@H]1CCCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261759670 135250942 /nfs/dbraw/zinc/25/09/42/135250942.db2.gz LDLMSKSTNMGGJA-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CC(C)(N)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000261770402 135251807 /nfs/dbraw/zinc/25/18/07/135251807.db2.gz DRFKGVJHYZFUJN-UHFFFAOYSA-N 1 3 247.386 2.073 20 0 BEADHO C(C1CC1)[N@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000261783768 135252926 /nfs/dbraw/zinc/25/29/26/135252926.db2.gz OALNXKYHHSTHOE-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO C(C1CC1)[N@@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000261783768 135252928 /nfs/dbraw/zinc/25/29/28/135252928.db2.gz OALNXKYHHSTHOE-OAHLLOKOSA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@]1(C)CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261918608 135262731 /nfs/dbraw/zinc/26/27/31/135262731.db2.gz ZZFDMFIRTSZNFN-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261948514 135265352 /nfs/dbraw/zinc/26/53/52/135265352.db2.gz NNXTWXZFEUVSCU-DGCLKSJQSA-N 1 3 222.376 2.106 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261982467 135269807 /nfs/dbraw/zinc/26/98/07/135269807.db2.gz RNYHWSMDDPKJTN-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261982467 135269809 /nfs/dbraw/zinc/26/98/09/135269809.db2.gz RNYHWSMDDPKJTN-UONOGXRCSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017361 135272921 /nfs/dbraw/zinc/27/29/21/135272921.db2.gz VUNZJOKHBPPRGI-XZDPQHSOSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017361 135272922 /nfs/dbraw/zinc/27/29/22/135272922.db2.gz VUNZJOKHBPPRGI-XZDPQHSOSA-N 1 3 244.382 2.317 20 0 BEADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC(C)(C)C1 ZINC000262075163 135277376 /nfs/dbraw/zinc/27/73/76/135277376.db2.gz SKYXHOWRNMGDKB-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO NCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000263076572 135331268 /nfs/dbraw/zinc/33/12/68/135331268.db2.gz XDEQIPYWQLXLMH-LBPRGKRZSA-N 1 3 236.384 2.059 20 0 BEADHO NCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000263076572 135331269 /nfs/dbraw/zinc/33/12/69/135331269.db2.gz XDEQIPYWQLXLMH-LBPRGKRZSA-N 1 3 236.384 2.059 20 0 BEADHO CC(C)(C)CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334357193 135372648 /nfs/dbraw/zinc/37/26/48/135372648.db2.gz PKVGWNDIYMADCN-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299894573 135381077 /nfs/dbraw/zinc/38/10/77/135381077.db2.gz XXZBUSFFINEQTL-AVGNSLFASA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299894573 135381078 /nfs/dbraw/zinc/38/10/78/135381078.db2.gz XXZBUSFFINEQTL-AVGNSLFASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](C[NH2+]Cc1cc[nH]c1)CN1CCCCC1 ZINC000080773890 135384604 /nfs/dbraw/zinc/38/46/04/135384604.db2.gz LHSQIVLALSFWAZ-CYBMUJFWSA-N 1 3 235.375 2.226 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000088169834 135516869 /nfs/dbraw/zinc/51/68/69/135516869.db2.gz VWNHKFSYIJLCTR-CYZMBNFOSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000230665225 135549132 /nfs/dbraw/zinc/54/91/32/135549132.db2.gz XRHLLWRCHKVNGJ-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000335356512 136062018 /nfs/dbraw/zinc/06/20/18/136062018.db2.gz DKUGESOVWICPHD-DOMZBBRYSA-N 1 3 247.386 2.007 20 0 BEADHO Cc1cc(N)cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000335356512 136062019 /nfs/dbraw/zinc/06/20/19/136062019.db2.gz DKUGESOVWICPHD-DOMZBBRYSA-N 1 3 247.386 2.007 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000335363901 136095118 /nfs/dbraw/zinc/09/51/18/136095118.db2.gz UAJUFNFNOKJHHD-SWLSCSKDSA-N 1 3 247.386 2.055 20 0 BEADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C1CCNCC1 ZINC000335568795 136108791 /nfs/dbraw/zinc/10/87/91/136108791.db2.gz SOWGQAWPNHMSOS-BONVTDFDSA-N 1 3 248.345 2.401 20 0 BEADHO CN(C)c1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000517177195 397939402 /nfs/dbraw/zinc/93/94/02/397939402.db2.gz XEMNFEMXOPJOBN-UONOGXRCSA-N 1 3 247.386 2.112 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[NH2+]CC1(C)C ZINC000302317856 397911130 /nfs/dbraw/zinc/91/11/30/397911130.db2.gz LDBHSTPCGGCNGL-ZDUSSCGKSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)CCOCC[NH2+][C@H]1CCNCC1(C)C ZINC000302317856 397911132 /nfs/dbraw/zinc/91/11/32/397911132.db2.gz LDBHSTPCGGCNGL-ZDUSSCGKSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@H]([NH2+]CCCN)[C@H]1CC2CCC1CC2 ZINC000382158591 397916139 /nfs/dbraw/zinc/91/61/39/397916139.db2.gz OYOIMBROBAXMCC-YWPUVAFDSA-N 1 3 210.365 2.140 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccc(F)cc1 ZINC000414829696 398050265 /nfs/dbraw/zinc/05/02/65/398050265.db2.gz BHYOYGSMQPJXRL-RYUDHWBXSA-N 1 3 238.350 2.202 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000414829696 398050271 /nfs/dbraw/zinc/05/02/71/398050271.db2.gz BHYOYGSMQPJXRL-RYUDHWBXSA-N 1 3 238.350 2.202 20 0 BEADHO N[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659164 398007638 /nfs/dbraw/zinc/00/76/38/398007638.db2.gz SFXAMAQQTSORPN-ZNMIVQPWSA-N 1 3 230.355 2.213 20 0 BEADHO N[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000414659164 398007643 /nfs/dbraw/zinc/00/76/43/398007643.db2.gz SFXAMAQQTSORPN-ZNMIVQPWSA-N 1 3 230.355 2.213 20 0 BEADHO C[C@H](CN(C)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000382752867 397972151 /nfs/dbraw/zinc/97/21/51/397972151.db2.gz JDZDRUHLAKLCCE-ZIAGYGMSSA-N 1 3 232.371 2.331 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000414850664 398058320 /nfs/dbraw/zinc/05/83/20/398058320.db2.gz ZRCNABHJIVZELA-KGLIPLIRSA-N 1 3 234.387 2.310 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCCNCC1 ZINC000128907787 398098247 /nfs/dbraw/zinc/09/82/47/398098247.db2.gz CDVUKLZHBLNSSX-CHWSQXEVSA-N 1 3 236.359 2.332 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CCC[NH2+]CC1 ZINC000128907787 398098249 /nfs/dbraw/zinc/09/82/49/398098249.db2.gz CDVUKLZHBLNSSX-CHWSQXEVSA-N 1 3 236.359 2.332 20 0 BEADHO Cc1ccc(F)cc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334845226 487572532 /nfs/dbraw/zinc/57/25/32/487572532.db2.gz KCHXTHNRQCHSET-ZIAGYGMSSA-N 1 3 236.334 2.494 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc3c2NCC3)C1 ZINC000334849107 487574012 /nfs/dbraw/zinc/57/40/12/487574012.db2.gz VDIVYAJWHMIKGE-ZIAGYGMSSA-N 1 3 245.370 2.014 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CS[C@@H](C)C1 ZINC000086934273 487589074 /nfs/dbraw/zinc/58/90/74/487589074.db2.gz VCPYSZORGYMAER-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000086934273 487589083 /nfs/dbraw/zinc/58/90/83/487589083.db2.gz VCPYSZORGYMAER-RYUDHWBXSA-N 1 3 230.421 2.202 20 0 BEADHO CC1CCC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001651698335 1172976204 /nfs/dbraw/zinc/97/62/04/1172976204.db2.gz VIELEPHZLKWKGJ-VIGLNQMMSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662244508 409533449 /nfs/dbraw/zinc/53/34/49/409533449.db2.gz HUDMYJSGVJZGNW-WCQYABFASA-N 1 3 208.349 2.012 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244508 409533455 /nfs/dbraw/zinc/53/34/55/409533455.db2.gz HUDMYJSGVJZGNW-WCQYABFASA-N 1 3 208.349 2.012 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000662272875 409578521 /nfs/dbraw/zinc/57/85/21/409578521.db2.gz JNKHIPRRSUWAOL-PWSUYJOCSA-N 1 3 234.334 2.339 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@](C)(CN)C1 ZINC000662272875 409578530 /nfs/dbraw/zinc/57/85/30/409578530.db2.gz JNKHIPRRSUWAOL-PWSUYJOCSA-N 1 3 234.334 2.339 20 0 BEADHO CO[C@H](CN1CC[C@H]([NH3+])C[C@H]1C)C1CCCC1 ZINC000662284277 409615443 /nfs/dbraw/zinc/61/54/43/409615443.db2.gz MJIRHMJSRGEEBY-KWCYVHTRSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000308778197 409905922 /nfs/dbraw/zinc/90/59/22/409905922.db2.gz BITYDJCGAZNBRK-WOPDTQHZSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@@H](C)C(C)(C)C)C1 ZINC000308778197 409905926 /nfs/dbraw/zinc/90/59/26/409905926.db2.gz BITYDJCGAZNBRK-WOPDTQHZSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000663501530 410278165 /nfs/dbraw/zinc/27/81/65/410278165.db2.gz XJXPHQPFQHGPPL-KBHBFKLGSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CCC[C@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC000663501530 410278170 /nfs/dbraw/zinc/27/81/70/410278170.db2.gz XJXPHQPFQHGPPL-KBHBFKLGSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc2c1CCC2 ZINC000650703865 410335646 /nfs/dbraw/zinc/33/56/46/410335646.db2.gz VOULDSMBYVILMX-WBMJQRKESA-N 1 3 244.382 2.263 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1Cc1cccc2c1CCC2 ZINC000650703184 410336500 /nfs/dbraw/zinc/33/65/00/410336500.db2.gz ORTMJTLUAYOFAR-CHWSQXEVSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1Cc1cccc2c1CCC2 ZINC000650703184 410336504 /nfs/dbraw/zinc/33/65/04/410336504.db2.gz ORTMJTLUAYOFAR-CHWSQXEVSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc2c1CCC2 ZINC000650703184 410336509 /nfs/dbraw/zinc/33/65/09/410336509.db2.gz ORTMJTLUAYOFAR-CHWSQXEVSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@H]1C[C@@H]1CNCc1ccc(C[NH3+])cc1F ZINC000650717072 410355473 /nfs/dbraw/zinc/35/54/73/410355473.db2.gz QZSVQCSUMACINP-JOYOIKCWSA-N 1 3 222.307 2.030 20 0 BEADHO C[C@H]1C[C@H]1CNCc1ccc(C[NH3+])cc1F ZINC000650717071 410355959 /nfs/dbraw/zinc/35/59/59/410355959.db2.gz QZSVQCSUMACINP-CABZTGNLSA-N 1 3 222.307 2.030 20 0 BEADHO Cc1ccc(CCN2CCC(C)([NH3+])CC2)cc1 ZINC000071536462 410374369 /nfs/dbraw/zinc/37/43/69/410374369.db2.gz WZYZVPWZWRBXKT-UHFFFAOYSA-N 1 3 232.371 2.351 20 0 BEADHO CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000650741960 410375193 /nfs/dbraw/zinc/37/51/93/410375193.db2.gz OOWQYITZTFDBKW-NNYUYHANSA-N 1 3 210.365 2.281 20 0 BEADHO CO[C@@H](CN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283941 410674431 /nfs/dbraw/zinc/67/44/31/410674431.db2.gz BRSKJNDFRBRNLL-LSDHHAIUSA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@@H](C[N@@H+]1CC[C@](C)(CN)C1)c1ccccc1 ZINC000393283941 410674438 /nfs/dbraw/zinc/67/44/38/410674438.db2.gz BRSKJNDFRBRNLL-LSDHHAIUSA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@@H](C[N@H+]1CC[C@](C)(CN)C1)c1ccccc1 ZINC000393283941 410674447 /nfs/dbraw/zinc/67/44/47/410674447.db2.gz BRSKJNDFRBRNLL-LSDHHAIUSA-N 1 3 248.370 2.045 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@H]1N[C@H](C)C[NH2+]C ZINC000665296793 410815225 /nfs/dbraw/zinc/81/52/25/410815225.db2.gz XXEGZCPAEXCSSG-FDYHWXHSSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@@H](C)C[NH2+]C ZINC000665296795 410814297 /nfs/dbraw/zinc/81/42/97/410814297.db2.gz XXEGZCPAEXCSSG-XQHKEYJVSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)NCCC[NH+](C(C)C)C(C)C ZINC000125687240 167102087 /nfs/dbraw/zinc/10/20/87/167102087.db2.gz IZKRILOJDDEORN-UHFFFAOYSA-N 1 3 200.370 2.493 20 0 BEADHO CC(C)OCC[N@H+](CCCN)CC1CCCC1 ZINC000352519930 167228196 /nfs/dbraw/zinc/22/81/96/167228196.db2.gz SWIZCSUHMFOCGB-UHFFFAOYSA-N 1 3 242.407 2.252 20 0 BEADHO CC(C)OCC[N@@H+](CCCN)CC1CCCC1 ZINC000352519930 167228197 /nfs/dbraw/zinc/22/81/97/167228197.db2.gz SWIZCSUHMFOCGB-UHFFFAOYSA-N 1 3 242.407 2.252 20 0 BEADHO CC(C)OCCN(CCC[NH3+])CC1CCCC1 ZINC000352519930 167228199 /nfs/dbraw/zinc/22/81/99/167228199.db2.gz SWIZCSUHMFOCGB-UHFFFAOYSA-N 1 3 242.407 2.252 20 0 BEADHO CC(C)OCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160050083 167244808 /nfs/dbraw/zinc/24/48/08/167244808.db2.gz VALGQLMYHBEMHX-KGLIPLIRSA-N 1 3 242.407 2.312 20 0 BEADHO CC(C)OC[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374325891 167259711 /nfs/dbraw/zinc/25/97/11/167259711.db2.gz CYTZAOKQVUYKID-RDBSUJKOSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)OC[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374325891 167259712 /nfs/dbraw/zinc/25/97/12/167259712.db2.gz CYTZAOKQVUYKID-RDBSUJKOSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CC1(C)C ZINC000397837521 410936753 /nfs/dbraw/zinc/93/67/53/410936753.db2.gz SZYOVEOKBZXBAW-IRCOFANPSA-N 1 3 210.365 2.281 20 0 BEADHO CCC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000310013061 410996464 /nfs/dbraw/zinc/99/64/64/410996464.db2.gz JMTKCPPXYJJJGY-YIOUJQMASA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000310013061 410996469 /nfs/dbraw/zinc/99/64/69/410996469.db2.gz JMTKCPPXYJJJGY-YIOUJQMASA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000310013061 410996471 /nfs/dbraw/zinc/99/64/71/410996471.db2.gz JMTKCPPXYJJJGY-YIOUJQMASA-N 1 3 222.376 2.391 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C[C@@H]1C[C@H]1C ZINC000651865869 411147605 /nfs/dbraw/zinc/14/76/05/411147605.db2.gz KQLCMTSALPHJOK-OLZOCXBDSA-N 1 3 212.381 2.210 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CCSC1 ZINC000651865689 411147960 /nfs/dbraw/zinc/14/79/60/411147960.db2.gz DNCWUENLYACNDP-GFCCVEGCSA-N 1 3 230.421 2.059 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCSC1 ZINC000651865689 411147961 /nfs/dbraw/zinc/14/79/61/411147961.db2.gz DNCWUENLYACNDP-GFCCVEGCSA-N 1 3 230.421 2.059 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCSC1 ZINC000651865689 411147962 /nfs/dbraw/zinc/14/79/62/411147962.db2.gz DNCWUENLYACNDP-GFCCVEGCSA-N 1 3 230.421 2.059 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000660012303 411173904 /nfs/dbraw/zinc/17/39/04/411173904.db2.gz SQHRIZRNLLIPMM-LJIZCISZSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]21 ZINC000660012303 411173909 /nfs/dbraw/zinc/17/39/09/411173909.db2.gz SQHRIZRNLLIPMM-LJIZCISZSA-N 1 3 248.414 2.449 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CCOC1(C)C ZINC000652222383 411175794 /nfs/dbraw/zinc/17/57/94/411175794.db2.gz MUUKBJVALXKKIB-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CCOC1(C)C ZINC000652222383 411175797 /nfs/dbraw/zinc/17/57/97/411175797.db2.gz MUUKBJVALXKKIB-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000652222383 411175799 /nfs/dbraw/zinc/17/57/99/411175799.db2.gz MUUKBJVALXKKIB-CYBMUJFWSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H](C)[C@H]1CCCO1 ZINC000652221937 411175902 /nfs/dbraw/zinc/17/59/02/411175902.db2.gz AIQRZAKXYBCGJH-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@H]1CCCO1 ZINC000652221937 411175905 /nfs/dbraw/zinc/17/59/05/411175905.db2.gz AIQRZAKXYBCGJH-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000652221937 411175907 /nfs/dbraw/zinc/17/59/07/411175907.db2.gz AIQRZAKXYBCGJH-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000656193354 411200881 /nfs/dbraw/zinc/20/08/81/411200881.db2.gz HQIKJLAGKGSRCB-FIYWTHMPSA-N 1 3 228.355 2.374 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000656193356 411200915 /nfs/dbraw/zinc/20/09/15/411200915.db2.gz HQIKJLAGKGSRCB-TUUUFIMRSA-N 1 3 228.355 2.374 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000656193355 411201016 /nfs/dbraw/zinc/20/10/16/411201016.db2.gz HQIKJLAGKGSRCB-IFWUJCSASA-N 1 3 228.355 2.374 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCCOC2CCCC2)C1 ZINC000656197215 411202778 /nfs/dbraw/zinc/20/27/78/411202778.db2.gz PMICIMVXDRFVPL-QWHCGFSZSA-N 1 3 240.391 2.195 20 0 BEADHO Cc1cnc(CCN[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000656200336 411204325 /nfs/dbraw/zinc/20/43/25/411204325.db2.gz LWEFXWQHSMUTQS-KBPBESRZSA-N 1 3 247.386 2.100 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N(C1CC1)C1CCCC1 ZINC000309720080 411218875 /nfs/dbraw/zinc/21/88/75/411218875.db2.gz VQJDEJDWVJZTCB-LLVKDONJSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCC[NH3+] ZINC000423193551 411237597 /nfs/dbraw/zinc/23/75/97/411237597.db2.gz WXJYNSOKTURFCQ-OLZOCXBDSA-N 1 3 218.344 2.117 20 0 BEADHO CNCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423202858 411238125 /nfs/dbraw/zinc/23/81/25/411238125.db2.gz RMUJJMUYOMBEJB-ZDUSSCGKSA-N 1 3 210.365 2.154 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C1 ZINC000655693956 411239526 /nfs/dbraw/zinc/23/95/26/411239526.db2.gz BIQKVFOAOLXVQU-YNEHKIRRSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2)CS1 ZINC000655694860 411239837 /nfs/dbraw/zinc/23/98/37/411239837.db2.gz HUFTVEBDYQFHOE-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1CC[C@@H](NCCC[NH+]2CCCC2)CS1 ZINC000655694860 411239840 /nfs/dbraw/zinc/23/98/40/411239840.db2.gz HUFTVEBDYQFHOE-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO CCC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000309843142 411276541 /nfs/dbraw/zinc/27/65/41/411276541.db2.gz RAMQXRTWIOZHSD-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000309843144 411276641 /nfs/dbraw/zinc/27/66/41/411276641.db2.gz RAMQXRTWIOZHSD-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCc2ccoc2)[C@@H](C)C1 ZINC000658202197 411291119 /nfs/dbraw/zinc/29/11/19/411291119.db2.gz VGODWZBLQMKEJB-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@H](NCCc2ccoc2)[C@@H](C)C1 ZINC000658202197 411291123 /nfs/dbraw/zinc/29/11/23/411291123.db2.gz VGODWZBLQMKEJB-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CCC[NH+]1CCC(NC[C@]2(C)CC2(F)F)CC1 ZINC000658217908 411298093 /nfs/dbraw/zinc/29/80/93/411298093.db2.gz GEIAVCIFNCQDKL-LBPRGKRZSA-N 1 3 246.345 2.496 20 0 BEADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)C1CC1 ZINC000658236330 411305876 /nfs/dbraw/zinc/30/58/76/411305876.db2.gz INWQLCYMKMXVCQ-OLZOCXBDSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H](c1ccncc1)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402907791 411321317 /nfs/dbraw/zinc/32/13/17/411321317.db2.gz XVRULQZTEPBFFP-QEJZJMRPSA-N 1 3 245.370 2.203 20 0 BEADHO C[C@@H](c1ccncc1)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402907791 411321320 /nfs/dbraw/zinc/32/13/20/411321320.db2.gz XVRULQZTEPBFFP-QEJZJMRPSA-N 1 3 245.370 2.203 20 0 BEADHO C[C@@H](c1ccncc1)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402907791 411321322 /nfs/dbraw/zinc/32/13/22/411321322.db2.gz XVRULQZTEPBFFP-QEJZJMRPSA-N 1 3 245.370 2.203 20 0 BEADHO c1ccc2c(c1)CCCN(C[C@H]1CC[NH2+]C1)C2 ZINC000062944702 411324958 /nfs/dbraw/zinc/32/49/58/411324958.db2.gz HCOQZDXWFLRSFP-ZDUSSCGKSA-N 1 3 230.355 2.044 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@@H](C)SC1)CN(C)C ZINC000655769877 411252144 /nfs/dbraw/zinc/25/21/44/411252144.db2.gz RFKTVQZBYLBNNF-IJLUTSLNSA-N 1 3 230.421 2.058 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@@H](C)SC1)CN(C)C ZINC000655769878 411252230 /nfs/dbraw/zinc/25/22/30/411252230.db2.gz RFKTVQZBYLBNNF-UTUOFQBUSA-N 1 3 230.421 2.058 20 0 BEADHO CCc1ccc(CN2CC[C@@H](C[NH3+])C2)s1 ZINC000050248242 411256488 /nfs/dbraw/zinc/25/64/88/411256488.db2.gz IPRIUBLYWMWBCL-JTQLQIEISA-N 1 3 224.373 2.091 20 0 BEADHO CC(C)(N)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656792158 411372759 /nfs/dbraw/zinc/37/27/59/411372759.db2.gz OQCUVYDZBXVULE-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)(N)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656792158 411372762 /nfs/dbraw/zinc/37/27/62/411372762.db2.gz OQCUVYDZBXVULE-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO FCC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000656791842 411372774 /nfs/dbraw/zinc/37/27/74/411372774.db2.gz KYDWZDWLNSXXME-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000656791842 411372776 /nfs/dbraw/zinc/37/27/76/411372776.db2.gz KYDWZDWLNSXXME-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO FCC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000656791842 411372780 /nfs/dbraw/zinc/37/27/80/411372780.db2.gz KYDWZDWLNSXXME-CHWSQXEVSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccn1 ZINC000656783929 411360918 /nfs/dbraw/zinc/36/09/18/411360918.db2.gz WKESVJQBYCYQET-AGIUHOORSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N)C1)c1ccccn1 ZINC000656783929 411360924 /nfs/dbraw/zinc/36/09/24/411360924.db2.gz WKESVJQBYCYQET-AGIUHOORSA-N 1 3 233.359 2.045 20 0 BEADHO C[C@@H]1C[C@H]1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789345 411368971 /nfs/dbraw/zinc/36/89/71/411368971.db2.gz WEHDNRVCCFLPKG-SLBVQIDZSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@H]1C[C@H]1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656789342 411369598 /nfs/dbraw/zinc/36/95/98/411369598.db2.gz WEHDNRVCCFLPKG-ARLBYUKCSA-N 1 3 244.382 2.378 20 0 BEADHO CC(CN1CC[C@@H]2C[C@@H]2C1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974293 411341346 /nfs/dbraw/zinc/34/13/46/411341346.db2.gz VSSSVRQTAOLSOC-KLHDSHLOSA-N 1 3 248.414 2.306 20 0 BEADHO CC(CN1CC[C@@H]2C[C@@H]2C1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661974293 411341350 /nfs/dbraw/zinc/34/13/50/411341350.db2.gz VSSSVRQTAOLSOC-KLHDSHLOSA-N 1 3 248.414 2.306 20 0 BEADHO CC1([NH2+]C[C@H]2CCCNC2)CCCCC1 ZINC000045047233 168063252 /nfs/dbraw/zinc/06/32/52/168063252.db2.gz GWSHLHJRPRAEQB-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CC[C@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000125648766 411391487 /nfs/dbraw/zinc/39/14/87/411391487.db2.gz ZXVQXNMVPPPDDT-NSHDSACASA-N 1 3 218.344 2.220 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CCC2)[C@H]1CCN ZINC000404392557 411393175 /nfs/dbraw/zinc/39/31/75/411393175.db2.gz YWNJMKYYKWIFNA-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CCC2)[C@H]1CCN ZINC000404392557 411393177 /nfs/dbraw/zinc/39/31/77/411393177.db2.gz YWNJMKYYKWIFNA-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880769 411410809 /nfs/dbraw/zinc/41/08/09/411410809.db2.gz FVQYXAYFJZRMOH-UONOGXRCSA-N 1 3 244.382 2.258 20 0 BEADHO CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414825841 411450042 /nfs/dbraw/zinc/45/00/42/411450042.db2.gz UJEWTUBPAPQBDW-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1OCC[C@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000657369581 411483446 /nfs/dbraw/zinc/48/34/46/411483446.db2.gz FASFIZPQJIBVCX-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H]1OCC[C@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000657369581 411483449 /nfs/dbraw/zinc/48/34/49/411483449.db2.gz FASFIZPQJIBVCX-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)=CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000659925493 411500104 /nfs/dbraw/zinc/50/01/04/411500104.db2.gz JNSBHSZWIRWFEC-ZDUSSCGKSA-N 1 3 210.365 2.226 20 0 BEADHO CCN1CC[C@@H](C[NH2+]Cc2ccsc2C)C1 ZINC000293726439 170007563 /nfs/dbraw/zinc/00/75/63/170007563.db2.gz YWHGABBKOFQLDE-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000224996906 170008649 /nfs/dbraw/zinc/00/86/49/170008649.db2.gz MHZUPRZVHCWLDL-KGLIPLIRSA-N 1 3 222.376 2.274 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000037643771 170015096 /nfs/dbraw/zinc/01/50/96/170015096.db2.gz XSLPMLYMGOCXFU-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO CCN1CC[C@H]([N@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639676 170018887 /nfs/dbraw/zinc/01/88/87/170018887.db2.gz NLSGIZXCDASZHO-HIFRSBDPSA-N 1 3 249.402 2.187 20 0 BEADHO CCN1CC[C@H]([N@@H+](C)Cc2cccn2C)[C@H](C)C1 ZINC000093639676 170018888 /nfs/dbraw/zinc/01/88/88/170018888.db2.gz NLSGIZXCDASZHO-HIFRSBDPSA-N 1 3 249.402 2.187 20 0 BEADHO CC[NH2+]CC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000131481139 170111573 /nfs/dbraw/zinc/11/15/73/170111573.db2.gz NZXMAOBCSDFJAT-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO C([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663346968 411632552 /nfs/dbraw/zinc/63/25/52/411632552.db2.gz YWUIKBXVRYDWCM-AWEZNQCLSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663346264 411634151 /nfs/dbraw/zinc/63/41/51/411634151.db2.gz RUJBOCFBQVTNAD-JSGCOSHPSA-N 1 3 236.403 2.497 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCSCC2)C1 ZINC000657843496 411610722 /nfs/dbraw/zinc/61/07/22/411610722.db2.gz ZDNNABBLQLFZOC-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CC([NH2+]CC23CC(C2)CN3)C[C@H](C)C1 ZINC000663498335 411681361 /nfs/dbraw/zinc/68/13/61/411681361.db2.gz OURDELYRLSLSEO-IBQNZTRDSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CC(NCC23CC(C2)C[NH2+]3)C[C@H](C)C1 ZINC000663498335 411681367 /nfs/dbraw/zinc/68/13/67/411681367.db2.gz OURDELYRLSLSEO-IBQNZTRDSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)c1ccc(F)cc1 ZINC000663500819 411683124 /nfs/dbraw/zinc/68/31/24/411683124.db2.gz OYFVIFMMNHGTCN-BZUNDVKYSA-N 1 3 248.345 2.271 20 0 BEADHO CC(C)C[C@H](C)CNCC12CC(C1)C[NH2+]2 ZINC000663500885 411683881 /nfs/dbraw/zinc/68/38/81/411683881.db2.gz QHEDMFCCMFLGNB-HIFPTAJRSA-N 1 3 210.365 2.010 20 0 BEADHO CC(C)C[C@H](C)C[NH2+]CC12CC(C1)CN2 ZINC000663500885 411683886 /nfs/dbraw/zinc/68/38/86/411683886.db2.gz QHEDMFCCMFLGNB-HIFPTAJRSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccc2c1CCC[C@@H]2NCCC[NH3+] ZINC000663504532 411687071 /nfs/dbraw/zinc/68/70/71/411687071.db2.gz ZQTQQFUPHQDRFJ-AWEZNQCLSA-N 1 3 218.344 2.311 20 0 BEADHO CCC(CC)(CC)CN[C@@H](C)C[NH2+]C ZINC000663510758 411692675 /nfs/dbraw/zinc/69/26/75/411692675.db2.gz SLBBSNIEKZBVDX-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO C[NH2+]C[C@@H](C)NC[C@@H](C)CCc1ccccc1 ZINC000663510014 411693069 /nfs/dbraw/zinc/69/30/69/411693069.db2.gz NRQSUPVOZHSFNO-UONOGXRCSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662245509 412040955 /nfs/dbraw/zinc/04/09/55/412040955.db2.gz RTNWMUKWTVGKCO-MXWKQRLJSA-N 1 3 234.334 2.337 20 0 BEADHO CO[C@H](CN(C)CC[C@H]([NH3+])C(C)C)C1CCC1 ZINC000662248034 412047741 /nfs/dbraw/zinc/04/77/41/412047741.db2.gz RFBVAEXMZFUHHX-UONOGXRCSA-N 1 3 242.407 2.107 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCC1CCC1 ZINC000662265500 412055916 /nfs/dbraw/zinc/05/59/16/412055916.db2.gz PRZLWABROQEWKW-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCC1CCC1 ZINC000662265500 412055918 /nfs/dbraw/zinc/05/59/18/412055918.db2.gz PRZLWABROQEWKW-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000662263445 412055979 /nfs/dbraw/zinc/05/59/79/412055979.db2.gz BHSBLUQHHPYEKX-AXFHLTTASA-N 1 3 234.334 2.337 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000662263445 412055982 /nfs/dbraw/zinc/05/59/82/412055982.db2.gz BHSBLUQHHPYEKX-AXFHLTTASA-N 1 3 234.334 2.337 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCC1CCC1 ZINC000662265501 412056655 /nfs/dbraw/zinc/05/66/55/412056655.db2.gz PRZLWABROQEWKW-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCC1CCC1 ZINC000662265501 412056657 /nfs/dbraw/zinc/05/66/57/412056657.db2.gz PRZLWABROQEWKW-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000336764474 171059664 /nfs/dbraw/zinc/05/96/64/171059664.db2.gz QASJUDUEYQRTKS-CHWSQXEVSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H](C)C[NH2+]CCCN(C)C(C)C ZINC000128857392 171285341 /nfs/dbraw/zinc/28/53/41/171285341.db2.gz HCDKFSKVKCSXCM-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@@H](N)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662298252 412084258 /nfs/dbraw/zinc/08/42/58/412084258.db2.gz ASVSNKWFICQVML-GFCCVEGCSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H](N)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662298252 412084259 /nfs/dbraw/zinc/08/42/59/412084259.db2.gz ASVSNKWFICQVML-GFCCVEGCSA-N 1 3 210.365 2.380 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336729577 171364429 /nfs/dbraw/zinc/36/44/29/171364429.db2.gz JDKSUNLPZLSPQU-NWDGAFQWSA-N 1 3 210.365 2.273 20 0 BEADHO C[NH2+]CCCN(C)C[C@H]1CCc2ccccc21 ZINC000662324383 412102377 /nfs/dbraw/zinc/10/23/77/412102377.db2.gz WTEKODURVZWMTK-CQSZACIVSA-N 1 3 232.371 2.258 20 0 BEADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CC1(C)C ZINC000662345689 412115524 /nfs/dbraw/zinc/11/55/24/412115524.db2.gz LCEFZRZFNCCBPN-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CC1(C)C ZINC000662345689 412115525 /nfs/dbraw/zinc/11/55/25/412115525.db2.gz LCEFZRZFNCCBPN-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000665239611 412180327 /nfs/dbraw/zinc/18/03/27/412180327.db2.gz VVVMQMFFYUQQIS-QNWHQSFQSA-N 1 3 224.392 2.256 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)F ZINC000665261537 412204025 /nfs/dbraw/zinc/20/40/25/412204025.db2.gz FNNYICOOCBCHCO-GHMZBOCLSA-N 1 3 216.344 2.102 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000665262251 412205238 /nfs/dbraw/zinc/20/52/38/412205238.db2.gz XCEPZKVALARYFS-JTNHKYCSSA-N 1 3 218.344 2.389 20 0 BEADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccoc1 ZINC000665262278 412205831 /nfs/dbraw/zinc/20/58/31/412205831.db2.gz XWDQSOBEVWTHIV-STQMWFEESA-N 1 3 222.332 2.072 20 0 BEADHO C[C@]1(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1(F)F ZINC000665266823 412210811 /nfs/dbraw/zinc/21/08/11/412210811.db2.gz KIWVYMVKOIAFAC-VWYCJHECSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)c1ccccn1 ZINC000665232905 412172462 /nfs/dbraw/zinc/17/24/62/412172462.db2.gz XJYANQPOBIAIPY-UMVBOHGHSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)c1ccccn1 ZINC000665232905 412172466 /nfs/dbraw/zinc/17/24/66/412172466.db2.gz XJYANQPOBIAIPY-UMVBOHGHSA-N 1 3 247.386 2.163 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc21 ZINC000422748069 412172571 /nfs/dbraw/zinc/17/25/71/412172571.db2.gz RTYGUKJOYLNZBO-CGYQILHKSA-N 1 3 244.338 2.041 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000665274168 412216838 /nfs/dbraw/zinc/21/68/38/412216838.db2.gz LHHOXQVAEMYHHW-STQMWFEESA-N 1 3 208.349 2.204 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCC1=CCCC1 ZINC000665274168 412216840 /nfs/dbraw/zinc/21/68/40/412216840.db2.gz LHHOXQVAEMYHHW-STQMWFEESA-N 1 3 208.349 2.204 20 0 BEADHO CC1(C)[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(F)F ZINC000665274257 412218205 /nfs/dbraw/zinc/21/82/05/412218205.db2.gz MJIRZSRUAFTZIC-IXMYILBSSA-N 1 3 244.329 2.150 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279710 412222623 /nfs/dbraw/zinc/22/26/23/412222623.db2.gz KHYUVWHGHPJYED-KTEZZQQRSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279710 412222626 /nfs/dbraw/zinc/22/26/26/412222626.db2.gz KHYUVWHGHPJYED-KTEZZQQRSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H](CC(C)(C)C)NCC12CC(C1)C[NH2+]2 ZINC000665279676 412223071 /nfs/dbraw/zinc/22/30/71/412223071.db2.gz JJNKDMBBPLOKNE-XSRFYTQQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+]CC12CC(C1)CN2 ZINC000665279676 412223072 /nfs/dbraw/zinc/22/30/72/412223072.db2.gz JJNKDMBBPLOKNE-XSRFYTQQSA-N 1 3 210.365 2.153 20 0 BEADHO C([NH2+][C@@H]1CCC12CCCC2)C12CC(C1)CN2 ZINC000665279834 412223251 /nfs/dbraw/zinc/22/32/51/412223251.db2.gz NIGMGFMQRLZDNE-MBHSVXNSSA-N 1 3 220.360 2.051 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H](C)C(C)(C)C ZINC000665281128 412225923 /nfs/dbraw/zinc/22/59/23/412225923.db2.gz VKXBUIMQJLKPIX-GHMZBOCLSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000665282084 412226643 /nfs/dbraw/zinc/22/66/43/412226643.db2.gz QJFHUQAWZXLAMJ-QJPTWQEYSA-N 1 3 212.381 2.384 20 0 BEADHO [NH3+][C@H]1CCCCC[C@H]1NCCCc1ccco1 ZINC000665283652 412229269 /nfs/dbraw/zinc/22/92/69/412229269.db2.gz RRVRVOWFFBEYKQ-UONOGXRCSA-N 1 3 236.359 2.462 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000665298546 412245777 /nfs/dbraw/zinc/24/57/77/412245777.db2.gz XWYCVXTXYSQIQP-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@H](C)NC1CCC(C(F)F)CC1 ZINC000665298560 412245891 /nfs/dbraw/zinc/24/58/91/412245891.db2.gz YHAYLSWVDRSTCY-IDKOKCKLSA-N 1 3 220.307 2.008 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H](C)CCC(C)(C)C ZINC000665298428 412246544 /nfs/dbraw/zinc/24/65/44/412246544.db2.gz VXONITORHYNHEC-GHMZBOCLSA-N 1 3 200.370 2.399 20 0 BEADHO CC(C)(C[NH2+]C1CCNCC1)CC(F)(F)F ZINC000665301429 412249850 /nfs/dbraw/zinc/24/98/50/412249850.db2.gz XNEMLRIWALQVDF-UHFFFAOYSA-N 1 3 238.297 2.307 20 0 BEADHO CN1CCC[C@H]([NH2+]Cc2ccccc2)CC1 ZINC000076647099 173045554 /nfs/dbraw/zinc/04/55/54/173045554.db2.gz UNVBVZINQUNNCC-AWEZNQCLSA-N 1 3 218.344 2.261 20 0 BEADHO C[N@@H+]1CCC[C@H](NCc2ccccc2)CC1 ZINC000076647099 173045556 /nfs/dbraw/zinc/04/55/56/173045556.db2.gz UNVBVZINQUNNCC-AWEZNQCLSA-N 1 3 218.344 2.261 20 0 BEADHO C[N@H+]1CCC[C@H](NCc2ccccc2)CC1 ZINC000076647099 173045557 /nfs/dbraw/zinc/04/55/57/173045557.db2.gz UNVBVZINQUNNCC-AWEZNQCLSA-N 1 3 218.344 2.261 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+]1CC2CCC1CC2 ZINC000371390479 173051746 /nfs/dbraw/zinc/05/17/46/173051746.db2.gz WPKPDMHOBNZETO-MOKVOYLWSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@H]1CC[N@H+]1CC2CCC1CC2 ZINC000371390479 173051749 /nfs/dbraw/zinc/05/17/49/173051749.db2.gz WPKPDMHOBNZETO-MOKVOYLWSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CC[C@H]([NH2+]Cc2cccnc2)[C@H]2CCC[C@@H]21 ZINC000367620689 173153589 /nfs/dbraw/zinc/15/35/89/173153589.db2.gz QUGOVTIOUXRJRX-ILXRZTDVSA-N 1 3 245.370 2.044 20 0 BEADHO CN1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000292882646 173167279 /nfs/dbraw/zinc/16/72/79/173167279.db2.gz XWTSNUJAZRJTFO-ZDUSSCGKSA-N 1 3 236.384 2.276 20 0 BEADHO CN1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000292882646 173167282 /nfs/dbraw/zinc/16/72/82/173167282.db2.gz XWTSNUJAZRJTFO-ZDUSSCGKSA-N 1 3 236.384 2.276 20 0 BEADHO C[NH2+]CC1CCN(Cc2ccsc2)CC1 ZINC000051756230 173338329 /nfs/dbraw/zinc/33/83/29/173338329.db2.gz UGXSSWRTFQOVKC-UHFFFAOYSA-N 1 3 224.373 2.180 20 0 BEADHO C[NH2+]CC1CCN([C@H](C)c2ccccn2)CC1 ZINC000063158980 173338374 /nfs/dbraw/zinc/33/83/74/173338374.db2.gz FFMSJKLHYXIDOT-GFCCVEGCSA-N 1 3 233.359 2.074 20 0 BEADHO C[NH2+]CCC1CCN(CCC(F)(F)F)CC1 ZINC000070914898 173343336 /nfs/dbraw/zinc/34/33/36/173343336.db2.gz GZEDZNJGRIPWAC-UHFFFAOYSA-N 1 3 238.297 2.260 20 0 BEADHO C[NH2+]CCCN(C)CCCC(C)(C)C ZINC000300804458 173345697 /nfs/dbraw/zinc/34/56/97/173345697.db2.gz FAJXQSHRWBKPRU-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CNCCC[N@H+](C)CCCC(C)(C)C ZINC000300804458 173345698 /nfs/dbraw/zinc/34/56/98/173345698.db2.gz FAJXQSHRWBKPRU-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CNCCC[N@@H+](C)CCCC(C)(C)C ZINC000300804458 173345699 /nfs/dbraw/zinc/34/56/99/173345699.db2.gz FAJXQSHRWBKPRU-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CNCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045086635 173347416 /nfs/dbraw/zinc/34/74/16/173347416.db2.gz REEPJCOEBWXTEO-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CNCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045086635 173347417 /nfs/dbraw/zinc/34/74/17/173347417.db2.gz REEPJCOEBWXTEO-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[NH2+]CCNc1cc(C)nc2ccccc21 ZINC000054244753 173356964 /nfs/dbraw/zinc/35/69/64/173356964.db2.gz GETNRLMDFVMMGU-UHFFFAOYSA-N 1 3 215.300 2.175 20 0 BEADHO C[NH2+]C[C@@H]1CCN(Cc2cccc(C)c2C)C1 ZINC000071142595 173371076 /nfs/dbraw/zinc/37/10/76/173371076.db2.gz MJCJUUVQPGBFGO-AWEZNQCLSA-N 1 3 232.371 2.345 20 0 BEADHO C[NH2+]C[C@@H]1CCN(C[C@H](C)c2ccccc2)C1 ZINC000251074332 173371200 /nfs/dbraw/zinc/37/12/00/173371200.db2.gz GCKDVGNWRPGYLR-KBPBESRZSA-N 1 3 232.371 2.331 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCC2CCCCC2)C1 ZINC000053031469 173381031 /nfs/dbraw/zinc/38/10/31/173381031.db2.gz BJHMGBUIMXUZRL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC000053031469 173381032 /nfs/dbraw/zinc/38/10/32/173381032.db2.gz BJHMGBUIMXUZRL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC000053031469 173381033 /nfs/dbraw/zinc/38/10/33/173381033.db2.gz BJHMGBUIMXUZRL-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[NH2+]C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000011892052 173381866 /nfs/dbraw/zinc/38/18/66/173381866.db2.gz YBNCTWRPIRHPKI-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO COC1(C[NH2+]CCCN2CCCC2)CCCC1 ZINC000336656794 174000387 /nfs/dbraw/zinc/00/03/87/174000387.db2.gz MCRGIRNKZZYWKN-UHFFFAOYSA-N 1 3 240.391 2.021 20 0 BEADHO COC1(CNCCC[NH+]2CCCC2)CCCC1 ZINC000336656794 174000389 /nfs/dbraw/zinc/00/03/89/174000389.db2.gz MCRGIRNKZZYWKN-UHFFFAOYSA-N 1 3 240.391 2.021 20 0 BEADHO CC(C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000053659675 487629612 /nfs/dbraw/zinc/62/96/12/487629612.db2.gz BFHSQRMNZLHBMJ-UHFFFAOYSA-N 1 3 247.386 2.292 20 0 BEADHO COc1cccc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000111611464 175257274 /nfs/dbraw/zinc/25/72/74/175257274.db2.gz QGGOTEGWHWNZKS-LBPRGKRZSA-N 1 3 248.370 2.254 20 0 BEADHO COc1ccccc1CN(C)CC1CC[NH2+]CC1 ZINC000042442367 175325111 /nfs/dbraw/zinc/32/51/11/175325111.db2.gz TWORQPIEADGYGL-UHFFFAOYSA-N 1 3 248.370 2.127 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN ZINC000251566357 176081776 /nfs/dbraw/zinc/08/17/76/176081776.db2.gz AMVCXRFNOSPKSL-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCNC1 ZINC000019507009 176116612 /nfs/dbraw/zinc/11/66/12/176116612.db2.gz YTQFOZSUKFBQCQ-JHJVBQTASA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H]2CCCNC2)C1 ZINC000042495706 176120930 /nfs/dbraw/zinc/12/09/30/176120930.db2.gz LCBANQWDZGQMCW-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H]2CCCNC2)C1 ZINC000042495706 176120932 /nfs/dbraw/zinc/12/09/32/176120932.db2.gz LCBANQWDZGQMCW-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H]2CCCNC2)C1 ZINC000042495702 176140888 /nfs/dbraw/zinc/14/08/88/176140888.db2.gz LCBANQWDZGQMCW-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H]2CCCNC2)C1 ZINC000042495702 176140889 /nfs/dbraw/zinc/14/08/89/176140889.db2.gz LCBANQWDZGQMCW-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000251576323 176145435 /nfs/dbraw/zinc/14/54/35/176145435.db2.gz BWEDVWQSUBGHHW-VOAKCMCISA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000309153730 176150802 /nfs/dbraw/zinc/15/08/02/176150802.db2.gz WZBDZGKDNVMHTC-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000059535378 176176150 /nfs/dbraw/zinc/17/61/50/176176150.db2.gz FKMJKEQHUVZBJG-OCCSQVGLSA-N 1 3 218.344 2.103 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CSC1(C)C ZINC000309823378 176278213 /nfs/dbraw/zinc/27/82/13/176278213.db2.gz WVTQGNGZADXBRE-WYUUTHIRSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CSC1(C)C ZINC000309823378 176278215 /nfs/dbraw/zinc/27/82/15/176278215.db2.gz WVTQGNGZADXBRE-WYUUTHIRSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c(c1)CCC2 ZINC000131760383 176367546 /nfs/dbraw/zinc/36/75/46/176367546.db2.gz OXGZFWVRIBTNJD-OCCSQVGLSA-N 1 3 244.382 2.344 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000340172933 176396466 /nfs/dbraw/zinc/39/64/66/176396466.db2.gz DHFCSXUJOLOFSA-IUODEOHRSA-N 1 3 232.371 2.494 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1CCCC1)CN(C)C ZINC000336714663 176684539 /nfs/dbraw/zinc/68/45/39/176684539.db2.gz WCAJIDMFQVVTJW-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccccc1 ZINC000242522261 177234426 /nfs/dbraw/zinc/23/44/26/177234426.db2.gz IOHGIIBXOUYHLW-GXTWGEPZSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccccc1 ZINC000242522261 177234428 /nfs/dbraw/zinc/23/44/28/177234428.db2.gz IOHGIIBXOUYHLW-GXTWGEPZSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@H]1CN(CCCC(C)(C)C)CC[C@H]1[NH3+] ZINC000300836075 177248783 /nfs/dbraw/zinc/24/87/83/177248783.db2.gz INTNPPMNVQNEMS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[N@H+](CCCC(C)(C)C)CC[C@H]1N ZINC000300836075 177248784 /nfs/dbraw/zinc/24/87/84/177248784.db2.gz INTNPPMNVQNEMS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[N@@H+](CCCC(C)(C)C)CC[C@H]1N ZINC000300836075 177248785 /nfs/dbraw/zinc/24/87/85/177248785.db2.gz INTNPPMNVQNEMS-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCC(C)(C)C ZINC000300958960 177323713 /nfs/dbraw/zinc/32/37/13/177323713.db2.gz YFAGVUXRAUIKNV-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCC(C)(C)C ZINC000300958960 177323715 /nfs/dbraw/zinc/32/37/15/177323715.db2.gz YFAGVUXRAUIKNV-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCc1cccs1 ZINC000049712300 177326913 /nfs/dbraw/zinc/32/69/13/177326913.db2.gz DDKJDMUDZFHXEL-QWRGUYRKSA-N 1 3 224.373 2.102 20 0 BEADHO C[C@@H]1CC[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000235331465 177356014 /nfs/dbraw/zinc/35/60/14/177356014.db2.gz ZHEQYJQCLGTVCK-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2)[C@@H](C)C1 ZINC000235331465 177356016 /nfs/dbraw/zinc/35/60/16/177356016.db2.gz ZHEQYJQCLGTVCK-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[C@H](C[NH3+])CN1c1ccnc2ccccc21 ZINC000216234740 177362340 /nfs/dbraw/zinc/36/23/40/177362340.db2.gz UCJQQOSKTCHTGQ-NWDGAFQWSA-N 1 3 241.338 2.408 20 0 BEADHO Cc1ccsc1C[NH2+]CC1(N)CCCC1 ZINC000087310063 487639795 /nfs/dbraw/zinc/63/97/95/487639795.db2.gz XSEJFPNHDBBMJJ-UHFFFAOYSA-N 1 3 224.373 2.418 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H](CC)C1 ZINC000226011530 487643633 /nfs/dbraw/zinc/64/36/33/487643633.db2.gz SQABZFBHKYFATE-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H](CC)C1 ZINC000226011530 487643636 /nfs/dbraw/zinc/64/36/36/487643636.db2.gz SQABZFBHKYFATE-RWMBFGLXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000488358716 225386878 /nfs/dbraw/zinc/38/68/78/225386878.db2.gz XZNGOGZDKFIUBI-RBSFLKMASA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000488358716 225386882 /nfs/dbraw/zinc/38/68/82/225386882.db2.gz XZNGOGZDKFIUBI-RBSFLKMASA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000488358716 225386887 /nfs/dbraw/zinc/38/68/87/225386887.db2.gz XZNGOGZDKFIUBI-RBSFLKMASA-N 1 3 236.403 2.450 20 0 BEADHO C[C@@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000488401022 225391520 /nfs/dbraw/zinc/39/15/20/225391520.db2.gz VFOUKSUPEAVSOJ-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO COCC(C)(C)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000494080721 226260635 /nfs/dbraw/zinc/26/06/35/226260635.db2.gz VJLNAFWSTOVKIU-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CCCN1 ZINC000400639241 226348422 /nfs/dbraw/zinc/34/84/22/226348422.db2.gz NPTFXRSKFJPSGI-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H]1CC1(C)C ZINC000397775115 262745760 /nfs/dbraw/zinc/74/57/60/262745760.db2.gz IBNOOGJUFAAIOI-WYUUTHIRSA-N 1 3 210.365 2.009 20 0 BEADHO CN1CC[C@H]([NH2+]C/C=C\Cl)CC1(C)C ZINC000898430118 584134530 /nfs/dbraw/zinc/13/45/30/584134530.db2.gz UXAMDJMOODIHSP-OAQKJQOQSA-N 1 3 216.756 2.201 20 0 BEADHO C[NH2+]CCN[C@H]1CCC[C@@H]1CCC(C)C ZINC000414838042 487694096 /nfs/dbraw/zinc/69/40/96/487694096.db2.gz YJHRLQGDOZLHCT-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CC1CCN(Cc2cncc(C)c2)CC1 ZINC000228622023 487695326 /nfs/dbraw/zinc/69/53/26/487695326.db2.gz KRPKIFZNFGXDEV-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)CC(F)(F)F ZINC000396917960 262826879 /nfs/dbraw/zinc/82/68/79/262826879.db2.gz VXZHOEQCXKNEFM-GUBZILKMSA-N 1 3 238.297 2.292 20 0 BEADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308891330 487722820 /nfs/dbraw/zinc/72/28/20/487722820.db2.gz HPHLQISGXQDDMM-AVGNSLFASA-N 1 3 210.365 2.093 20 0 BEADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308891330 487722823 /nfs/dbraw/zinc/72/28/23/487722823.db2.gz HPHLQISGXQDDMM-AVGNSLFASA-N 1 3 210.365 2.093 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CS[C@@H](C)C1 ZINC000086934272 487727052 /nfs/dbraw/zinc/72/70/52/487727052.db2.gz VCPYSZORGYMAER-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000086934272 487727056 /nfs/dbraw/zinc/72/70/56/487727056.db2.gz VCPYSZORGYMAER-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CCCC2)C1(C)C ZINC000233769681 487742102 /nfs/dbraw/zinc/74/21/02/487742102.db2.gz LOTNNEUPSUEOBI-NEPJUHHUSA-N 1 3 240.391 2.051 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000222963788 487748248 /nfs/dbraw/zinc/74/82/48/487748248.db2.gz NDLQVFLMAHWMFA-BFHYXJOUSA-N 1 3 230.355 2.186 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000222963855 487748685 /nfs/dbraw/zinc/74/86/85/487748685.db2.gz NDLQVFLMAHWMFA-MJBXVCDLSA-N 1 3 230.355 2.186 20 0 BEADHO CCCC(CCC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000414949506 487773527 /nfs/dbraw/zinc/77/35/27/487773527.db2.gz ZTHIWJSNGOHJKI-CQSZACIVSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C2CC2)CCN1 ZINC000414951291 487773687 /nfs/dbraw/zinc/77/36/87/487773687.db2.gz PNLIRSVKZXACNB-ZZVYKPCYSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H](C[NH2+]CCCNC1CC1)C(C)(C)C ZINC000163005444 487796957 /nfs/dbraw/zinc/79/69/57/487796957.db2.gz DOYSJWAEMPZKOG-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1N ZINC000251784113 487798506 /nfs/dbraw/zinc/79/85/06/487798506.db2.gz NFNSFCFEEKOLCQ-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1N ZINC000251784113 487798509 /nfs/dbraw/zinc/79/85/09/487798509.db2.gz NFNSFCFEEKOLCQ-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H](C)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252417670 487823884 /nfs/dbraw/zinc/82/38/84/487823884.db2.gz SUSIWNCPSNUWKN-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H]2CCC[C@H](N)C2)cn1 ZINC000414932891 487830632 /nfs/dbraw/zinc/83/06/32/487830632.db2.gz WDMANDTWGROWHG-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@H](CC[NH+](C)C)NC[C@@H]1CC1(Cl)Cl ZINC000308695395 631356109 /nfs/dbraw/zinc/35/61/09/631356109.db2.gz STNFAOWEDDQDMB-BDAKNGLRSA-N 1 3 239.190 2.110 20 0 BEADHO CC[C@H]1c2ccccc2CCN1CCC[NH3+] ZINC000666640937 487850003 /nfs/dbraw/zinc/85/00/03/487850003.db2.gz FPVRHKNBYOIMST-AWEZNQCLSA-N 1 3 218.344 2.345 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@H]1CCOc2ccccc21 ZINC000666741417 487869606 /nfs/dbraw/zinc/86/96/06/487869606.db2.gz QSSFMGHPVYOZOY-OCCSQVGLSA-N 1 3 248.370 2.126 20 0 BEADHO COC[C@@]1(CNC[C@@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000666891905 487875582 /nfs/dbraw/zinc/87/55/82/487875582.db2.gz BVQCIYBSISVTQR-OCCSQVGLSA-N 1 3 242.407 2.027 20 0 BEADHO Clc1cscc1CNCC[C@H]1CC[NH2+]C1 ZINC000666787439 487880175 /nfs/dbraw/zinc/88/01/75/487880175.db2.gz SXNCHOFBKAHNAA-SECBINFHSA-N 1 3 244.791 2.491 20 0 BEADHO Clc1cscc1CNCC[C@@H]1CC[NH2+]C1 ZINC000666787440 487879952 /nfs/dbraw/zinc/87/99/52/487879952.db2.gz SXNCHOFBKAHNAA-VIFPVBQESA-N 1 3 244.791 2.491 20 0 BEADHO NC1(C[NH2+]Cc2cccc3cnccc32)CCC1 ZINC000666828304 487887792 /nfs/dbraw/zinc/88/77/92/487887792.db2.gz GJGUKEVFWMWUNG-UHFFFAOYSA-N 1 3 241.338 2.206 20 0 BEADHO CCCOc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000666834160 487887816 /nfs/dbraw/zinc/88/78/16/487887816.db2.gz MRKSCXZLICVECP-HNNXBMFYSA-N 1 3 248.370 2.302 20 0 BEADHO NC1(C[NH2+]Cc2ccc3cnccc3c2)CCC1 ZINC000666827604 487888435 /nfs/dbraw/zinc/88/84/35/487888435.db2.gz LJZYYEOCZWPOHL-UHFFFAOYSA-N 1 3 241.338 2.206 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCCNCC1 ZINC000666858015 487892234 /nfs/dbraw/zinc/89/22/34/487892234.db2.gz SVUPTBDQLGHCMX-UWVGGRQHSA-N 1 3 238.297 2.449 20 0 BEADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCNCC1 ZINC000666858968 487891744 /nfs/dbraw/zinc/89/17/44/487891744.db2.gz PVIMAQWVTCHRCK-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666857875 487892301 /nfs/dbraw/zinc/89/23/01/487892301.db2.gz NORBYRPPWGOECI-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH3+])CNCC(C)(C)c1ccccc1 ZINC000666910415 487901534 /nfs/dbraw/zinc/90/15/34/487901534.db2.gz DYIUIGGSHPTOIW-ZDUSSCGKSA-N 1 3 220.360 2.291 20 0 BEADHO Fc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952542 487913871 /nfs/dbraw/zinc/91/38/71/487913871.db2.gz ZYQQUXPJVUYBMX-CYBMUJFWSA-N 1 3 234.318 2.057 20 0 BEADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cc1 ZINC000682156080 487917396 /nfs/dbraw/zinc/91/73/96/487917396.db2.gz HXOHQEZCLLSPRD-MRVWCRGKSA-N 1 3 248.345 2.080 20 0 BEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC000666962229 487919753 /nfs/dbraw/zinc/91/97/53/487919753.db2.gz UDDCNUICJHPROH-MWLCHTKSSA-N 1 3 240.297 2.182 20 0 BEADHO C[C@H](CC1CCC1)N[C@H]1CCCC[NH2+]C1 ZINC000666993017 487923462 /nfs/dbraw/zinc/92/34/62/487923462.db2.gz WSLBDZGRPHPNFX-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](C)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995623 487925171 /nfs/dbraw/zinc/92/51/71/487925171.db2.gz UJYWVKGVSCKPLI-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[N@H+](CCC(C)(C)C2CC2)CC[C@@H]1N ZINC000382254338 487935230 /nfs/dbraw/zinc/93/52/30/487935230.db2.gz VVZDTUNYIIWSMK-YPMHNXCESA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@@H]1N ZINC000382254338 487935231 /nfs/dbraw/zinc/93/52/31/487935231.db2.gz VVZDTUNYIIWSMK-YPMHNXCESA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CN(CCC(C)(C)C2CC2)CC[C@@H]1[NH3+] ZINC000382254338 487935235 /nfs/dbraw/zinc/93/52/35/487935235.db2.gz VVZDTUNYIIWSMK-YPMHNXCESA-N 1 3 224.392 2.482 20 0 BEADHO CCc1cc(N[C@H]2CCN(C3CC3)C2)cc[nH+]1 ZINC000307767734 487945065 /nfs/dbraw/zinc/94/50/65/487945065.db2.gz IIHYXTUWSNEOOR-ZDUSSCGKSA-N 1 3 231.343 2.293 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccn1 ZINC000569825189 323041549 /nfs/dbraw/zinc/04/15/49/323041549.db2.gz NLCVJIVHOLUJLH-CHWSQXEVSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccn1 ZINC000569825195 323041639 /nfs/dbraw/zinc/04/16/39/323041639.db2.gz NLCVJIVHOLUJLH-QWHCGFSZSA-N 1 3 247.386 2.219 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccn1 ZINC000569825197 323041642 /nfs/dbraw/zinc/04/16/42/323041642.db2.gz NLCVJIVHOLUJLH-STQMWFEESA-N 1 3 247.386 2.219 20 0 BEADHO CCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)OC ZINC000569897532 323043676 /nfs/dbraw/zinc/04/36/76/323043676.db2.gz PASRFZRZWZUBOW-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)OC ZINC000569897532 323043677 /nfs/dbraw/zinc/04/36/77/323043677.db2.gz PASRFZRZWZUBOW-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000570815676 323071510 /nfs/dbraw/zinc/07/15/10/323071510.db2.gz CZRAQCQUOVNNMP-RBSFLKMASA-N 1 3 248.370 2.234 20 0 BEADHO CCNCCC[NH2+][C@H](C)CC(C)(C)C ZINC000571312829 323141076 /nfs/dbraw/zinc/14/10/76/323141076.db2.gz HDXWOXYULJLIFY-LLVKDONJSA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@H](C)S1 ZINC000535469758 323173322 /nfs/dbraw/zinc/17/33/22/323173322.db2.gz VNOFLIJHDVSIMK-FRRDWIJNSA-N 1 3 242.432 2.297 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@H](C)S1 ZINC000535469758 323173323 /nfs/dbraw/zinc/17/33/23/323173323.db2.gz VNOFLIJHDVSIMK-FRRDWIJNSA-N 1 3 242.432 2.297 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOC(C)(C)C ZINC000308722982 323177320 /nfs/dbraw/zinc/17/73/20/323177320.db2.gz FBDIXWRTDBIDFR-UPJWGTAASA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOC(C)(C)C ZINC000308722982 323177321 /nfs/dbraw/zinc/17/73/21/323177321.db2.gz FBDIXWRTDBIDFR-UPJWGTAASA-N 1 3 242.407 2.120 20 0 BEADHO CN(CCCOCc1ccccc1)C1CC([NH3+])C1 ZINC000395117082 323187583 /nfs/dbraw/zinc/18/75/83/323187583.db2.gz VVDLTXCLQZCEJV-UHFFFAOYSA-N 1 3 248.370 2.015 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530216557 323217221 /nfs/dbraw/zinc/21/72/21/323217221.db2.gz QKUSLLYMSDNORK-QWRGUYRKSA-N 1 3 208.349 2.049 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530216558 323217354 /nfs/dbraw/zinc/21/73/54/323217354.db2.gz QKUSLLYMSDNORK-WDEREUQCSA-N 1 3 208.349 2.049 20 0 BEADHO CC(C)[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530225903 323219111 /nfs/dbraw/zinc/21/91/11/323219111.db2.gz XZJLQYZVELGMEI-QWHCGFSZSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530225903 323219114 /nfs/dbraw/zinc/21/91/14/323219114.db2.gz XZJLQYZVELGMEI-QWHCGFSZSA-N 1 3 222.376 2.295 20 0 BEADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCNC(C)C ZINC000563951262 323330104 /nfs/dbraw/zinc/33/01/04/323330104.db2.gz UKRWGQOIHXGRAY-UONOGXRCSA-N 1 3 242.407 2.169 20 0 BEADHO FCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000304297947 324199703 /nfs/dbraw/zinc/19/97/03/324199703.db2.gz ZXUDQOOKNJUUQR-RWMBFGLXSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000304297947 324199709 /nfs/dbraw/zinc/19/97/09/324199709.db2.gz ZXUDQOOKNJUUQR-RWMBFGLXSA-N 1 3 228.355 2.246 20 0 BEADHO CN(CCC[NH+]1CCCC1)CC1(C)CC1 ZINC000545992573 325254724 /nfs/dbraw/zinc/25/47/24/325254724.db2.gz KDLVCBLEOVMAEL-UHFFFAOYSA-N 1 3 210.365 2.204 20 0 BEADHO C[NH+](C)Cc1ccc(CNCc2cc[nH]c2)cc1 ZINC000086249668 325612467 /nfs/dbraw/zinc/61/24/67/325612467.db2.gz VTYBZUUEPUWEAA-UHFFFAOYSA-N 1 3 243.354 2.366 20 0 BEADHO CNCCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000565762638 325953016 /nfs/dbraw/zinc/95/30/16/325953016.db2.gz BHSHHYHBOCGAMK-LBPRGKRZSA-N 1 3 212.381 2.402 20 0 BEADHO N[C@H](C[NH2+]Cc1ccnc2ccccc12)C1CC1 ZINC000566725669 326077052 /nfs/dbraw/zinc/07/70/52/326077052.db2.gz FWVDUDDKRKPWIA-CQSZACIVSA-N 1 3 241.338 2.062 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000566985646 326100318 /nfs/dbraw/zinc/10/03/18/326100318.db2.gz RZQQOUHDJQAYKQ-UONOGXRCSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccnc1CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566985646 326100320 /nfs/dbraw/zinc/10/03/20/326100320.db2.gz RZQQOUHDJQAYKQ-UONOGXRCSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCCN2)o1 ZINC000567260372 326152246 /nfs/dbraw/zinc/15/22/46/326152246.db2.gz PZTNGAJHAZMDBF-GXTWGEPZSA-N 1 3 236.359 2.251 20 0 BEADHO CCNCCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000567462609 326197722 /nfs/dbraw/zinc/19/77/22/326197722.db2.gz WQWKOLOJQFSMHA-CYBMUJFWSA-N 1 3 210.365 2.154 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCOCC2CCCC2)C1 ZINC000313267546 326261142 /nfs/dbraw/zinc/26/11/42/326261142.db2.gz UILWAJQMDCEMIC-KBPBESRZSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000568248480 326334230 /nfs/dbraw/zinc/33/42/30/326334230.db2.gz SGWHHHOAJIYABY-CABCVRRESA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568248480 326334231 /nfs/dbraw/zinc/33/42/31/326334231.db2.gz SGWHHHOAJIYABY-CABCVRRESA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000568248482 326334355 /nfs/dbraw/zinc/33/43/55/326334355.db2.gz SGWHHHOAJIYABY-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000568248482 326334356 /nfs/dbraw/zinc/33/43/56/326334356.db2.gz SGWHHHOAJIYABY-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000569211339 326395189 /nfs/dbraw/zinc/39/51/89/326395189.db2.gz FDZVDUUDFMIDON-STQMWFEESA-N 1 3 230.371 2.494 20 0 BEADHO C1=C(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000401027253 488000153 /nfs/dbraw/zinc/00/01/53/488000153.db2.gz KOZRYILJPMTYTG-KGLIPLIRSA-N 1 3 220.360 2.313 20 0 BEADHO C1=C(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000401027253 488000158 /nfs/dbraw/zinc/00/01/58/488000158.db2.gz KOZRYILJPMTYTG-KGLIPLIRSA-N 1 3 220.360 2.313 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H](C)CCCC(C)C ZINC000663510262 488055076 /nfs/dbraw/zinc/05/50/76/488055076.db2.gz CTEBQZZIGQWHEI-VXGBXAGGSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CN1CCCC1 ZINC000378957364 488114114 /nfs/dbraw/zinc/11/41/14/488114114.db2.gz NFIWDWRFZSIXOJ-LJISPDSOSA-N 1 3 236.403 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403335002 488121272 /nfs/dbraw/zinc/12/12/72/488121272.db2.gz BBFUUWIFKZNHTD-FRRDWIJNSA-N 1 3 222.376 2.106 20 0 BEADHO CNC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403335002 488121279 /nfs/dbraw/zinc/12/12/79/488121279.db2.gz BBFUUWIFKZNHTD-FRRDWIJNSA-N 1 3 222.376 2.106 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403506643 488124764 /nfs/dbraw/zinc/12/47/64/488124764.db2.gz BAQZPTLXGCIHPS-MEBFFEOJSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403506643 488124767 /nfs/dbraw/zinc/12/47/67/488124767.db2.gz BAQZPTLXGCIHPS-MEBFFEOJSA-N 1 3 222.376 2.092 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC000094528203 487539120 /nfs/dbraw/zinc/53/91/20/487539120.db2.gz BGSXLELWNBWRQN-GFCCVEGCSA-N 1 3 230.355 2.345 20 0 BEADHO CNC[C@@H]1CC[N@H+](CCC(C)(C)C2CC2)C1 ZINC000392789847 487555196 /nfs/dbraw/zinc/55/51/96/487555196.db2.gz DVNNCVLGFCPFEU-LBPRGKRZSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](CCC(C)(C)C2CC2)C1 ZINC000392789847 487555201 /nfs/dbraw/zinc/55/52/01/487555201.db2.gz DVNNCVLGFCPFEU-LBPRGKRZSA-N 1 3 224.392 2.354 20 0 BEADHO C(NC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000078845393 487487739 /nfs/dbraw/zinc/48/77/39/487487739.db2.gz LXHVWWXETDMGNW-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO CN(CC1CC=CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266372 490042924 /nfs/dbraw/zinc/04/29/24/490042924.db2.gz WZCHZYKRGFBQOP-PBWFPOADSA-N 1 3 220.360 2.167 20 0 BEADHO C[C@H](CN)C[NH2+]CC(C)(C)c1ccccc1 ZINC000258814107 488137424 /nfs/dbraw/zinc/13/74/24/488137424.db2.gz SSCVDOICFXUIQN-GFCCVEGCSA-N 1 3 220.360 2.149 20 0 BEADHO Cc1ccc(CC[NH2+]C2CCNCC2)cc1C ZINC000259269514 488158555 /nfs/dbraw/zinc/15/85/55/488158555.db2.gz ZQQJPSQFJBWTNH-UHFFFAOYSA-N 1 3 232.371 2.188 20 0 BEADHO Cc1ccc(CCNC2CC[NH2+]CC2)cc1C ZINC000259269514 488158560 /nfs/dbraw/zinc/15/85/60/488158560.db2.gz ZQQJPSQFJBWTNH-UHFFFAOYSA-N 1 3 232.371 2.188 20 0 BEADHO CCN(CC)CCC[N@H+](C)CC(O)(CC)CC ZINC000679134496 488311775 /nfs/dbraw/zinc/31/17/75/488311775.db2.gz ZJORPIZYYRCYDN-UHFFFAOYSA-N 1 3 244.423 2.201 20 0 BEADHO CCN(CC)CCC[N@@H+](C)CC(O)(CC)CC ZINC000679134496 488311777 /nfs/dbraw/zinc/31/17/77/488311777.db2.gz ZJORPIZYYRCYDN-UHFFFAOYSA-N 1 3 244.423 2.201 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccccc1C1CC1 ZINC000666825921 490097224 /nfs/dbraw/zinc/09/72/24/490097224.db2.gz ABSOAWAKAJSQIH-LLVKDONJSA-N 1 3 218.344 2.248 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000070325875 490206635 /nfs/dbraw/zinc/20/66/35/490206635.db2.gz JNHZTKZBHGWEIA-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO N[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000414892608 490306204 /nfs/dbraw/zinc/30/62/04/490306204.db2.gz QFWOSULURFXAEH-HNNXBMFYSA-N 1 3 230.355 2.391 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000128572937 490581861 /nfs/dbraw/zinc/58/18/61/490581861.db2.gz WREZXLNJRZAORT-TUAOUCFPSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1cccs1 ZINC000336696524 491106421 /nfs/dbraw/zinc/10/64/21/491106421.db2.gz UCBJPOOVPVOYBP-VHSXEESVSA-N 1 3 212.362 2.384 20 0 BEADHO Cc1c[nH+]ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000070047291 491117556 /nfs/dbraw/zinc/11/75/56/491117556.db2.gz VNDVFXAAEZWMMH-LLVKDONJSA-N 1 3 217.316 2.039 20 0 BEADHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000562960245 491133359 /nfs/dbraw/zinc/13/33/59/491133359.db2.gz LYJGHGILMKNJHJ-IUODEOHRSA-N 1 3 248.370 2.221 20 0 BEADHO CN1CC=C(C[NH2+]CC2(C)CCC2)CC1 ZINC000308965922 491141522 /nfs/dbraw/zinc/14/15/22/491141522.db2.gz VPGSPUOJXNXXMN-UHFFFAOYSA-N 1 3 208.349 2.028 20 0 BEADHO CC[C@@H](C)C[N@H+](CC)[C@H]1CCCNCC1 ZINC000251798059 535512457 /nfs/dbraw/zinc/51/24/57/535512457.db2.gz KHIXURKDGLDEJI-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@@H](C)C[N@@H+](CC)[C@H]1CCCNCC1 ZINC000251798059 535512463 /nfs/dbraw/zinc/51/24/63/535512463.db2.gz KHIXURKDGLDEJI-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H]1C[N@H+](CC2CCN(C)CC2)CC[C@@H]1C ZINC000892066936 582782909 /nfs/dbraw/zinc/78/29/09/582782909.db2.gz ZRLYIJGNCUPQJM-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO C[C@H]1C[C@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000892105238 582792531 /nfs/dbraw/zinc/79/25/31/582792531.db2.gz XSWFJTQSIBHGRP-RYUDHWBXSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@H]1C[C@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000892105238 582792533 /nfs/dbraw/zinc/79/25/33/582792533.db2.gz XSWFJTQSIBHGRP-RYUDHWBXSA-N 1 3 210.365 2.059 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000488351660 528175701 /nfs/dbraw/zinc/17/57/01/528175701.db2.gz FSKVYUXDQYLKJT-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488351660 528175705 /nfs/dbraw/zinc/17/57/05/528175705.db2.gz FSKVYUXDQYLKJT-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488351660 528175708 /nfs/dbraw/zinc/17/57/08/528175708.db2.gz FSKVYUXDQYLKJT-RDBSUJKOSA-N 1 3 224.392 2.306 20 0 BEADHO CCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261699300 534963783 /nfs/dbraw/zinc/96/37/83/534963783.db2.gz JPJCFAUAVGAMAI-KGLIPLIRSA-N 1 3 218.344 2.071 20 0 BEADHO CCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261699300 534963787 /nfs/dbraw/zinc/96/37/87/534963787.db2.gz JPJCFAUAVGAMAI-KGLIPLIRSA-N 1 3 218.344 2.071 20 0 BEADHO CCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261699300 534963793 /nfs/dbraw/zinc/96/37/93/534963793.db2.gz JPJCFAUAVGAMAI-KGLIPLIRSA-N 1 3 218.344 2.071 20 0 BEADHO CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000086499893 535185632 /nfs/dbraw/zinc/18/56/32/535185632.db2.gz YJHUGCGXKOIEGL-RWMBFGLXSA-N 1 3 210.365 2.297 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000168770337 535309401 /nfs/dbraw/zinc/30/94/01/535309401.db2.gz VQBZZFNQTVKSCA-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]CC(C)(C)N)c1ccccc1 ZINC000261531514 535802929 /nfs/dbraw/zinc/80/29/29/535802929.db2.gz GVLXDZDGLXIVBD-GFCCVEGCSA-N 1 3 206.333 2.465 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCNC1)C1CCCCC1 ZINC000086729801 535947014 /nfs/dbraw/zinc/94/70/14/535947014.db2.gz OYFNLPWBFHJAMN-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@]1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261557553 536048225 /nfs/dbraw/zinc/04/82/25/536048225.db2.gz XKGPJDLZNUOWIV-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CC1 ZINC000262002032 536647492 /nfs/dbraw/zinc/64/74/92/536647492.db2.gz PXVLFXJALXIERM-QLFBSQMISA-N 1 3 246.354 2.146 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)CN1CCCC1 ZINC000348106939 566264381 /nfs/dbraw/zinc/26/43/81/566264381.db2.gz PQFUWEFDFVFNCE-YUELXQCFSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)CN1CCCC1 ZINC000348106938 566264853 /nfs/dbraw/zinc/26/48/53/566264853.db2.gz PQFUWEFDFVFNCE-VHDGCEQUSA-N 1 3 236.403 2.497 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1C=CCC1 ZINC000854221336 588780130 /nfs/dbraw/zinc/78/01/30/588780130.db2.gz KNLNOIUUESTZIF-CMPLNLGQSA-N 1 3 231.343 2.218 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348089611 582495927 /nfs/dbraw/zinc/49/59/27/582495927.db2.gz UBUDWFOKDOFFKN-YUELXQCFSA-N 1 3 236.403 2.497 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348089610 582495940 /nfs/dbraw/zinc/49/59/40/582495940.db2.gz UBUDWFOKDOFFKN-VHDGCEQUSA-N 1 3 236.403 2.497 20 0 BEADHO C[NH+](C)C(C)(C)CNc1cc(N)ncc1Cl ZINC000891495910 582693099 /nfs/dbraw/zinc/69/30/99/582693099.db2.gz WLPXHTFRBJQFJX-UHFFFAOYSA-N 1 3 242.754 2.069 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCN(C)CC2)CC[C@@H]1C ZINC000892066936 582782908 /nfs/dbraw/zinc/78/29/08/582782908.db2.gz ZRLYIJGNCUPQJM-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000892068941 582784503 /nfs/dbraw/zinc/78/45/03/582784503.db2.gz WPFSVMAEUONXSZ-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000892068941 582784506 /nfs/dbraw/zinc/78/45/06/582784506.db2.gz WPFSVMAEUONXSZ-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)[C@H]1CC[N@@H+]1CC1CCN(C)CC1 ZINC000892403614 582877514 /nfs/dbraw/zinc/87/75/14/582877514.db2.gz OPIYXLDEFYFKJW-CYBMUJFWSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[C@H]1CC[N@H+]1CC1CCN(C)CC1 ZINC000892403614 582877515 /nfs/dbraw/zinc/87/75/15/582877515.db2.gz OPIYXLDEFYFKJW-CYBMUJFWSA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000893674302 583193640 /nfs/dbraw/zinc/19/36/40/583193640.db2.gz YUNFREATYGOHLA-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@H+]1CC1CCN(C)CC1 ZINC000893674302 583193642 /nfs/dbraw/zinc/19/36/42/583193642.db2.gz YUNFREATYGOHLA-TZMCWYRMSA-N 1 3 224.392 2.449 20 0 BEADHO C[NH+]1CCC(CN2CCC[C@@](C)(F)C2)CC1 ZINC000894659281 583504399 /nfs/dbraw/zinc/50/43/99/583504399.db2.gz QAWJSFSKNCCWMV-CYBMUJFWSA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000894722039 583514550 /nfs/dbraw/zinc/51/45/50/583514550.db2.gz HPHIPUKTJULXPK-GASCZTMLSA-N 1 3 236.403 2.450 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000894722039 583514552 /nfs/dbraw/zinc/51/45/52/583514552.db2.gz HPHIPUKTJULXPK-GASCZTMLSA-N 1 3 236.403 2.450 20 0 BEADHO CCC1(CC)C[NH+](CC2CCN(C)CC2)C1 ZINC000894820279 583525137 /nfs/dbraw/zinc/52/51/37/583525137.db2.gz ULPQGTIFYHEBOQ-UHFFFAOYSA-N 1 3 224.392 2.450 20 0 BEADHO CCC1(C)C[NH+](CC2CCN(C)CC2)C1 ZINC000894840815 583530177 /nfs/dbraw/zinc/53/01/77/583530177.db2.gz RGQIQVSYRNHHPC-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO C(=C/c1ccccc1)\CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000323665572 583532521 /nfs/dbraw/zinc/53/25/21/583532521.db2.gz DMKRXWINOLZRMX-POTOTVBWSA-N 1 3 242.366 2.241 20 0 BEADHO C[C@@H](CSCCF)[NH2+]CC[C@H](C)N(C)C ZINC000895291535 583637081 /nfs/dbraw/zinc/63/70/81/583637081.db2.gz FWZOGPGAWVNBRQ-QWRGUYRKSA-N 1 3 236.400 2.007 20 0 BEADHO C[C@@H](CSCCF)NCC[C@H](C)[NH+](C)C ZINC000895291535 583637084 /nfs/dbraw/zinc/63/70/84/583637084.db2.gz FWZOGPGAWVNBRQ-QWRGUYRKSA-N 1 3 236.400 2.007 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)N(C)C ZINC000895429606 583669025 /nfs/dbraw/zinc/66/90/25/583669025.db2.gz QQIMNQLKWYURFH-YIYPIFLZSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1cncc2ccccc21 ZINC000841031674 584031104 /nfs/dbraw/zinc/03/11/04/584031104.db2.gz VEEPIWHZTGMRKZ-OAHLLOKOSA-N 1 3 243.354 2.308 20 0 BEADHO CSC[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331943 584562913 /nfs/dbraw/zinc/56/29/13/584562913.db2.gz WZTVKGSMGXHNFH-GHMZBOCLSA-N 1 3 230.421 2.106 20 0 BEADHO CSC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902331943 584562914 /nfs/dbraw/zinc/56/29/14/584562914.db2.gz WZTVKGSMGXHNFH-GHMZBOCLSA-N 1 3 230.421 2.106 20 0 BEADHO CC(C)OCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902331985 584562955 /nfs/dbraw/zinc/56/29/55/584562955.db2.gz XUFRSTOXYNULTC-CYBMUJFWSA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)=CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902377166 584568576 /nfs/dbraw/zinc/56/85/76/584568576.db2.gz RRGWSHQWLIQUMX-LBPRGKRZSA-N 1 3 210.365 2.320 20 0 BEADHO CC(C)=CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902377165 584568601 /nfs/dbraw/zinc/56/86/01/584568601.db2.gz RRGWSHQWLIQUMX-GFCCVEGCSA-N 1 3 210.365 2.320 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NCCc2ccco2)C1 ZINC000902359895 584571301 /nfs/dbraw/zinc/57/13/01/584571301.db2.gz HZHHLKAZVPBPCP-LBPRGKRZSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902381991 584576982 /nfs/dbraw/zinc/57/69/82/584576982.db2.gz AMTDXZFJQZDFCU-WOPDTQHZSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1CSC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902381991 584576984 /nfs/dbraw/zinc/57/69/84/584576984.db2.gz AMTDXZFJQZDFCU-WOPDTQHZSA-N 1 3 242.432 2.106 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]CCCCF)C1 ZINC000902386875 584579174 /nfs/dbraw/zinc/57/91/74/584579174.db2.gz HFMJPVSIPLCDTD-NSHDSACASA-N 1 3 216.344 2.104 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](NCC2=CCCC2)C1 ZINC000902395708 584585357 /nfs/dbraw/zinc/58/53/57/584585357.db2.gz FDRBFHYGGLTJSB-CYBMUJFWSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@@]1(CN[C@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902400958 584586777 /nfs/dbraw/zinc/58/67/77/584586777.db2.gz YNVUEIOHUWZOMK-JQWIXIFHSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@]1(C[NH2+][C@H]2CCNCC(C)(C)C2)CC1(F)F ZINC000902400958 584586778 /nfs/dbraw/zinc/58/67/78/584586778.db2.gz YNVUEIOHUWZOMK-JQWIXIFHSA-N 1 3 246.345 2.400 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CNCC1(C)C)C1CCC1 ZINC000902441917 584597877 /nfs/dbraw/zinc/59/78/77/584597877.db2.gz FWXUMRREWAROEF-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000902432229 584595427 /nfs/dbraw/zinc/59/54/27/584595427.db2.gz ORGBKWRYIMIRCR-NEPJUHHUSA-N 1 3 242.407 2.155 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000902440836 584597340 /nfs/dbraw/zinc/59/73/40/584597340.db2.gz ARSOZOOVUFRAOL-UPJWGTAASA-N 1 3 242.382 2.492 20 0 BEADHO CC[C@H]([NH2+][C@H]1CNCC1(C)C)C1CCC1 ZINC000902441922 584597869 /nfs/dbraw/zinc/59/78/69/584597869.db2.gz FWXUMRREWAROEF-RYUDHWBXSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902445372 584598840 /nfs/dbraw/zinc/59/88/40/584598840.db2.gz LUPBFPQUTUNIRX-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472662 584601197 /nfs/dbraw/zinc/60/11/97/584601197.db2.gz DOLCYTSXFBFOEZ-UZGDPCLZSA-N 1 3 234.343 2.083 20 0 BEADHO CC[C@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478882 584603552 /nfs/dbraw/zinc/60/35/52/584603552.db2.gz YOVOAPNUAKDCFW-MQLXINIDSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+][C@@H]1CNCC1(C)C ZINC000902448110 584604912 /nfs/dbraw/zinc/60/49/12/584604912.db2.gz CHJHUMPZIHLBHU-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CCS1 ZINC000902451176 584606807 /nfs/dbraw/zinc/60/68/07/584606807.db2.gz GHFLTWQNMPIBIO-QJPTWQEYSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000902454282 584608528 /nfs/dbraw/zinc/60/85/28/584608528.db2.gz SCYFOEFHTPSLLA-HBNTYKKESA-N 1 3 230.421 2.376 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCC=CCCC1)C1CNC1 ZINC000902454811 584609136 /nfs/dbraw/zinc/60/91/36/584609136.db2.gz IKKBDDIHQOGTPM-OLZOCXBDSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC(C)(C)O1 ZINC000902460615 584611663 /nfs/dbraw/zinc/61/16/63/584611663.db2.gz HPNKGIDBBAMUSG-QJPTWQEYSA-N 1 3 228.380 2.050 20 0 BEADHO C1CC1[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902463634 584612300 /nfs/dbraw/zinc/61/23/00/584612300.db2.gz AERUVHRGIZAXCH-BTFPBAQTSA-N 1 3 234.387 2.438 20 0 BEADHO C1CC1[C@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902463635 584612701 /nfs/dbraw/zinc/61/27/01/584612701.db2.gz AERUVHRGIZAXCH-NJVJYBDUSA-N 1 3 234.387 2.438 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902464591 584613272 /nfs/dbraw/zinc/61/32/72/584613272.db2.gz AORHWIFDRGYLID-QKPAOTATSA-N 1 3 244.382 2.490 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902466797 584614127 /nfs/dbraw/zinc/61/41/27/584614127.db2.gz MVJZKIJXKGQQQX-QNWJLWSRSA-N 1 3 222.376 2.294 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468202 584614693 /nfs/dbraw/zinc/61/46/93/584614693.db2.gz MVJZKIJXKGQQQX-JZRPKSSGSA-N 1 3 222.376 2.294 20 0 BEADHO CC[C@H](NC[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000902482429 584624214 /nfs/dbraw/zinc/62/42/14/584624214.db2.gz LDWMDRWWCLFHEE-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO COC1CCC(NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000902484613 584624971 /nfs/dbraw/zinc/62/49/71/584624971.db2.gz WVQPYYWVWYJMQX-ROKHWSDSSA-N 1 3 240.391 2.066 20 0 BEADHO C([NH2+][C@@H]1CCCSC1)[C@H]1CCCCCN1 ZINC000902485284 584624990 /nfs/dbraw/zinc/62/49/90/584624990.db2.gz ZEHYHNRAOHIGHT-VXGBXAGGSA-N 1 3 228.405 2.004 20 0 BEADHO COc1ccsc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486056 584625166 /nfs/dbraw/zinc/62/51/66/584625166.db2.gz OMJQJQZFDHMPMV-OPRDCNLKSA-N 1 3 240.372 2.145 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cccnc1Cl ZINC000902485552 584625416 /nfs/dbraw/zinc/62/54/16/584625416.db2.gz AFPOOYBCVYIODP-OPRDCNLKSA-N 1 3 239.750 2.123 20 0 BEADHO CCc1ccc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)o1 ZINC000902486394 584625479 /nfs/dbraw/zinc/62/54/79/584625479.db2.gz GNHVTCUMIYOFFG-DCAQKATOSA-N 1 3 222.332 2.230 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](c1ccncc1)C1CC1 ZINC000902515183 584629296 /nfs/dbraw/zinc/62/92/96/584629296.db2.gz UAJWNLUYCQKQJC-COPLHBTASA-N 1 3 233.359 2.248 20 0 BEADHO CNc1ccc(C)cc1C[NH2+]C[C@@H](C)CN(C)C ZINC000902571278 584636443 /nfs/dbraw/zinc/63/64/43/584636443.db2.gz HDBOZKJEBABAEV-CYBMUJFWSA-N 1 3 249.402 2.324 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCCc1ccccc1 ZINC000903431157 584761490 /nfs/dbraw/zinc/76/14/90/584761490.db2.gz FPXAXJMMMDVUFZ-ZBFHGGJFSA-N 1 3 246.398 2.407 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN(C1CC1)C1CCCC1 ZINC000903431449 584761954 /nfs/dbraw/zinc/76/19/54/584761954.db2.gz OUDUZUMAAPTRTM-NEPJUHHUSA-N 1 3 222.376 2.249 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441413 584763499 /nfs/dbraw/zinc/76/34/99/584763499.db2.gz QWGKRZKOXYSPFB-UPJWGTAASA-N 1 3 244.448 2.305 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903447136 584770909 /nfs/dbraw/zinc/77/09/09/584770909.db2.gz GOFGYSHYKISOQK-BXUZGUMPSA-N 1 3 243.354 2.337 20 0 BEADHO CC1(C)CC(C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903472757 584776016 /nfs/dbraw/zinc/77/60/16/584776016.db2.gz WBLSTHHABZJBRV-GFCCVEGCSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000903473017 584776289 /nfs/dbraw/zinc/77/62/89/584776289.db2.gz YUHFQUMFNKVJTL-RQJABVFESA-N 1 3 234.387 2.297 20 0 BEADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000903482632 584778834 /nfs/dbraw/zinc/77/88/34/584778834.db2.gz NLTINWCFGNZOCY-KBPBESRZSA-N 1 3 243.354 2.383 20 0 BEADHO CCCCN(CCOC)C[C@H]1CCCC[NH2+]C1 ZINC000903729707 584792978 /nfs/dbraw/zinc/79/29/78/584792978.db2.gz QWPUYEXSNHXPGO-AWEZNQCLSA-N 1 3 242.407 2.125 20 0 BEADHO FCCC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903777021 584799085 /nfs/dbraw/zinc/79/90/85/584799085.db2.gz ZBICLSQCLBVSBW-AWEZNQCLSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@@H]1CSCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903831607 584806052 /nfs/dbraw/zinc/80/60/52/584806052.db2.gz KXEYVSFJAQSKQP-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1CF)C2 ZINC000903840971 584807040 /nfs/dbraw/zinc/80/70/40/584807040.db2.gz VLZTWAXMFRAQPU-GLQYFDAESA-N 1 3 248.345 2.468 20 0 BEADHO C[C@@]1(C2CC2)COCCN1CCCCCC[NH3+] ZINC000903883661 584818379 /nfs/dbraw/zinc/81/83/79/584818379.db2.gz ZBEGIYANTBHGCQ-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO Cc1cc(F)ccc1CNCCC(C)(C)[NH3+] ZINC000903938882 584824183 /nfs/dbraw/zinc/82/41/83/584824183.db2.gz OLIMMOUJTBZIEL-UHFFFAOYSA-N 1 3 224.323 2.351 20 0 BEADHO CC(C)([NH3+])CCNCc1cccc2cnccc21 ZINC000903938818 584826763 /nfs/dbraw/zinc/82/67/63/584826763.db2.gz LRYZPJIWWSJERK-UHFFFAOYSA-N 1 3 243.354 2.452 20 0 BEADHO C[C@@H]1C[C@@H](CNCc2cc(C3CC3)no2)CC[NH2+]1 ZINC000903954095 584831707 /nfs/dbraw/zinc/83/17/07/584831707.db2.gz QAARVUBPEMDOAN-MNOVXSKESA-N 1 3 249.358 2.030 20 0 BEADHO CC(C)C1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC000903964121 584834188 /nfs/dbraw/zinc/83/41/88/584834188.db2.gz MJKSRDPFUJOWIW-BLYZHGLHSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CNC[C@H]1C ZINC000903964102 584834263 /nfs/dbraw/zinc/83/42/63/584834263.db2.gz LTHLBJJINUOREQ-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000903965019 584834533 /nfs/dbraw/zinc/83/45/33/584834533.db2.gz YHXJEIJDYIDYDB-RXGFPQBGSA-N 1 3 210.365 2.009 20 0 BEADHO COCCC[N@H+](C)C[C@@H](N)CCC(C)(C)C ZINC000904314444 584863185 /nfs/dbraw/zinc/86/31/85/584863185.db2.gz XIZQESIFRWHMKE-LBPRGKRZSA-N 1 3 230.396 2.108 20 0 BEADHO COCCC[N@@H+](C)C[C@@H](N)CCC(C)(C)C ZINC000904314444 584863186 /nfs/dbraw/zinc/86/31/86/584863186.db2.gz XIZQESIFRWHMKE-LBPRGKRZSA-N 1 3 230.396 2.108 20 0 BEADHO COCCC[N@H+](C)C[C@H](N)CCC(C)(C)C ZINC000904314443 584863466 /nfs/dbraw/zinc/86/34/66/584863466.db2.gz XIZQESIFRWHMKE-GFCCVEGCSA-N 1 3 230.396 2.108 20 0 BEADHO COCCC[N@@H+](C)C[C@H](N)CCC(C)(C)C ZINC000904314443 584863467 /nfs/dbraw/zinc/86/34/67/584863467.db2.gz XIZQESIFRWHMKE-GFCCVEGCSA-N 1 3 230.396 2.108 20 0 BEADHO CCCCN(CCOC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904321529 584863869 /nfs/dbraw/zinc/86/38/69/584863869.db2.gz ZNWXRYJKAYFZGQ-AWEZNQCLSA-N 1 3 242.407 2.125 20 0 BEADHO CCCC[N@H+](CCOC)C[C@@]1(C)CCCNC1 ZINC000904321529 584863870 /nfs/dbraw/zinc/86/38/70/584863870.db2.gz ZNWXRYJKAYFZGQ-AWEZNQCLSA-N 1 3 242.407 2.125 20 0 BEADHO CCCC[N@@H+](CCOC)C[C@@]1(C)CCCNC1 ZINC000904321529 584863871 /nfs/dbraw/zinc/86/38/71/584863871.db2.gz ZNWXRYJKAYFZGQ-AWEZNQCLSA-N 1 3 242.407 2.125 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@@H]3CCCC[C@H]32)C1 ZINC000904324223 584864778 /nfs/dbraw/zinc/86/47/78/584864778.db2.gz FRHGMWYGPUUNJQ-YVECIDJPSA-N 1 3 240.416 2.084 20 0 BEADHO CCC[C@@](C)(CO)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904330036 584865999 /nfs/dbraw/zinc/86/59/99/584865999.db2.gz XJNUHWJVHBFKKA-JSGCOSHPSA-N 1 3 244.423 2.281 20 0 BEADHO CC[C@H](NC1CC(C[NH3+])C1)c1c(C)noc1C ZINC000904360836 584871911 /nfs/dbraw/zinc/87/19/11/584871911.db2.gz PVSOATDUJXZTAJ-MCIGGMRASA-N 1 3 237.347 2.069 20 0 BEADHO C[C@]1(C[N@@H+]2CC[C@@H](C3CCC3)C2)CCCNC1 ZINC000904372692 584873771 /nfs/dbraw/zinc/87/37/71/584873771.db2.gz GRIGVQYNELRCEF-CABCVRRESA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CCCNC1 ZINC000904372692 584873773 /nfs/dbraw/zinc/87/37/73/584873773.db2.gz GRIGVQYNELRCEF-CABCVRRESA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904372359 584873903 /nfs/dbraw/zinc/87/39/03/584873903.db2.gz CBIVBUCLUMQUHB-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@H+]1C[C@]1(C)CCCNC1 ZINC000904372359 584873905 /nfs/dbraw/zinc/87/39/05/584873905.db2.gz CBIVBUCLUMQUHB-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO [NH3+][C@H]1C[C@@H](CNCc2c(F)cccc2Cl)C1 ZINC000904364209 584874188 /nfs/dbraw/zinc/87/41/88/584874188.db2.gz UKKGGBUMWWRQRW-DTORHVGOSA-N 1 3 242.725 2.306 20 0 BEADHO C[C@@H](C[NH2+]C[C@@]1(C)CCCNC1)c1ccncc1 ZINC000904381598 584876991 /nfs/dbraw/zinc/87/69/91/584876991.db2.gz ZLQWTGGBMSSBCL-ZFWWWQNUSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@@H](CNC[C@@]1(C)CCC[NH2+]C1)c1ccncc1 ZINC000904381598 584876992 /nfs/dbraw/zinc/87/69/92/584876992.db2.gz ZLQWTGGBMSSBCL-ZFWWWQNUSA-N 1 3 247.386 2.164 20 0 BEADHO [NH3+][C@H]1C[C@@H](CN[C@H]2c3ccccc3CC[C@@H]2F)C1 ZINC000904386174 584878059 /nfs/dbraw/zinc/87/80/59/584878059.db2.gz RHVIEBZAIHRMPF-FDEJFUCISA-N 1 3 248.345 2.339 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)[C@H](C)N ZINC000817977265 584993293 /nfs/dbraw/zinc/99/32/93/584993293.db2.gz FUSFKGFBVBUEKQ-MJVIPROJSA-N 1 3 218.344 2.308 20 0 BEADHO C[N@@H+]1CCC[C@@H](CCNCc2ccoc2)C1 ZINC000839182662 585096715 /nfs/dbraw/zinc/09/67/15/585096715.db2.gz OSFKUMMOEXJNSQ-LBPRGKRZSA-N 1 3 222.332 2.101 20 0 BEADHO C[N@H+]1CCC[C@@H](CCNCc2ccoc2)C1 ZINC000839182662 585096716 /nfs/dbraw/zinc/09/67/16/585096716.db2.gz OSFKUMMOEXJNSQ-LBPRGKRZSA-N 1 3 222.332 2.101 20 0 BEADHO C[C@H](c1ccccn1)N(C)CC1CC[NH+](C)CC1 ZINC000750043118 585209714 /nfs/dbraw/zinc/20/97/14/585209714.db2.gz RGPKEAKAXJZLCH-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000782182445 585810387 /nfs/dbraw/zinc/81/03/87/585810387.db2.gz HDFFEUIWFGNBND-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000782182445 585810388 /nfs/dbraw/zinc/81/03/88/585810388.db2.gz HDFFEUIWFGNBND-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000782182445 585810389 /nfs/dbraw/zinc/81/03/89/585810389.db2.gz HDFFEUIWFGNBND-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782191547 585811486 /nfs/dbraw/zinc/81/14/86/585811486.db2.gz XAVGKFIIMJSRHD-NWDGAFQWSA-N 1 3 210.365 2.059 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782191547 585811487 /nfs/dbraw/zinc/81/14/87/585811487.db2.gz XAVGKFIIMJSRHD-NWDGAFQWSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H](NC[C@@H](C)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000817893536 586833600 /nfs/dbraw/zinc/83/36/00/586833600.db2.gz FMSLVYFCBGGEGV-UTUOFQBUSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@@H]1CCCN1 ZINC000817893536 586833602 /nfs/dbraw/zinc/83/36/02/586833602.db2.gz FMSLVYFCBGGEGV-UTUOFQBUSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCSC(C)(C)C ZINC000817907648 586836643 /nfs/dbraw/zinc/83/66/43/586836643.db2.gz GZZKDTQVEUNYOX-RYUDHWBXSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCSC(C)(C)C ZINC000817907648 586836646 /nfs/dbraw/zinc/83/66/46/586836646.db2.gz GZZKDTQVEUNYOX-RYUDHWBXSA-N 1 3 244.448 2.496 20 0 BEADHO Cc1cccc(OCCCN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000817907776 586837292 /nfs/dbraw/zinc/83/72/92/586837292.db2.gz WETJPPWQBRKENW-HUUCEWRRSA-N 1 3 248.370 2.233 20 0 BEADHO CC[C@H]([NH2+]CCC1CCC1)[C@@H]1CCCN1 ZINC000817907864 586837452 /nfs/dbraw/zinc/83/74/52/586837452.db2.gz XVJXJOFKECRRCK-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CCOc1cccc([C@@H](C)NCC[C@H](C)[NH3+])c1 ZINC000817952141 586848032 /nfs/dbraw/zinc/84/80/32/586848032.db2.gz HYBMXCIHJYFTTE-NWDGAFQWSA-N 1 3 236.359 2.473 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817957690 586850367 /nfs/dbraw/zinc/85/03/67/586850367.db2.gz DQSDVSNENXZTRS-FZMZJTMJSA-N 1 3 248.370 2.255 20 0 BEADHO C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(Cl)nc1 ZINC000817959746 586851919 /nfs/dbraw/zinc/85/19/19/586851919.db2.gz IDNROKIADGFTNC-GZMMTYOYSA-N 1 3 239.750 2.123 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961987 586852277 /nfs/dbraw/zinc/85/22/77/586852277.db2.gz FTXYJVXFIRQFNX-RISCZKNCSA-N 1 3 248.370 2.257 20 0 BEADHO Cc1cc(F)ccc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000817961619 586852624 /nfs/dbraw/zinc/85/26/24/586852624.db2.gz AZMVEYLYAZMDDD-ONGXEEELSA-N 1 3 224.323 2.380 20 0 BEADHO CCOc1cccc([C@H](C)NC[C@H](C)C[NH3+])c1 ZINC000817961828 586852762 /nfs/dbraw/zinc/85/27/62/586852762.db2.gz DHKHZPCIIUSOAO-NEPJUHHUSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc2c(c1)CCO2 ZINC000817964738 586853824 /nfs/dbraw/zinc/85/38/24/586853824.db2.gz GOFXKQKMMCDLGY-QMTHXVAHSA-N 1 3 246.354 2.009 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000817968533 586856388 /nfs/dbraw/zinc/85/63/88/586856388.db2.gz LFYQGQWUOMNFFM-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc2c(c1)CCO2 ZINC000817977144 586862004 /nfs/dbraw/zinc/86/20/04/586862004.db2.gz CHQXAIDREVAXNL-SUNKGSAMSA-N 1 3 248.370 2.398 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc2c(c1)CCO2 ZINC000817977142 586862097 /nfs/dbraw/zinc/86/20/97/586862097.db2.gz CHQXAIDREVAXNL-GYSYKLTISA-N 1 3 248.370 2.398 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000841076884 587943692 /nfs/dbraw/zinc/94/36/92/587943692.db2.gz RZTHYHALRZYSIJ-MNOVXSKESA-N 1 3 248.370 2.225 20 0 BEADHO CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(Cl)nc1 ZINC000841088103 587945626 /nfs/dbraw/zinc/94/56/26/587945626.db2.gz XJENEZNBRBGPKJ-JTQLQIEISA-N 1 3 241.766 2.198 20 0 BEADHO CC[C@@H]1C[C@@H](CN2CCC(C)([NH3+])CC2)CCO1 ZINC000843108461 588082228 /nfs/dbraw/zinc/08/22/28/588082228.db2.gz SVVYMMRASSMVMI-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO [NH3+]CCCCCCNCc1cccnc1Cl ZINC000843128669 588082597 /nfs/dbraw/zinc/08/25/97/588082597.db2.gz ZIHPIKDSJPWCPO-UHFFFAOYSA-N 1 3 241.766 2.344 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cncc2ccccc21 ZINC000843127989 588084981 /nfs/dbraw/zinc/08/49/81/588084981.db2.gz GRGFQYNYFKDEHF-NEPJUHHUSA-N 1 3 243.354 2.450 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1ccc(F)cn1 ZINC000843340752 588101211 /nfs/dbraw/zinc/10/12/11/588101211.db2.gz DUZQJHZZIWMKKN-NSHDSACASA-N 1 3 239.338 2.390 20 0 BEADHO CC1(C)CN(CCCCCC[NH3+])C(C)(C)CO1 ZINC000846218974 588260830 /nfs/dbraw/zinc/26/08/30/588260830.db2.gz AYHZPLITXZTUBS-UHFFFAOYSA-N 1 3 242.407 2.395 20 0 BEADHO CC(C)C[C@H]1COCCN1CCCCCC[NH3+] ZINC000846217913 588260889 /nfs/dbraw/zinc/26/08/89/588260889.db2.gz INGZJAPYLGKNPK-AWEZNQCLSA-N 1 3 242.407 2.252 20 0 BEADHO Cl/C=C/CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000846220584 588261316 /nfs/dbraw/zinc/26/13/16/588261316.db2.gz LTUAUYCYNUXNHG-ZGTSGANGSA-N 1 3 228.767 2.060 20 0 BEADHO CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000866583367 589501959 /nfs/dbraw/zinc/50/19/59/589501959.db2.gz KFYMCSRHPGKGIP-YNEHKIRRSA-N 1 3 210.365 2.201 20 0 BEADHO CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000866583367 589501960 /nfs/dbraw/zinc/50/19/60/589501960.db2.gz KFYMCSRHPGKGIP-YNEHKIRRSA-N 1 3 210.365 2.201 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CCC(C)(C)CO1 ZINC000866661823 589508557 /nfs/dbraw/zinc/50/85/57/589508557.db2.gz VOQUJQURKJSYJN-JSGCOSHPSA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@H]1CN(CCc2cccs2)CC[C@@H]1[NH3+] ZINC000122883060 589642615 /nfs/dbraw/zinc/64/26/15/589642615.db2.gz BYLXOVIVYIJYOQ-AAEUAGOBSA-N 1 3 238.400 2.350 20 0 BEADHO C[NH2+]CCCN1CC[C@]2(CCc3ccccc32)C1 ZINC000872146127 589884983 /nfs/dbraw/zinc/88/49/83/589884983.db2.gz GIIVXRYRJAOJME-MRXNPFEDSA-N 1 3 244.382 2.186 20 0 BEADHO C[C@]12C[NH2+]C[C@H]1CN(CCCC1CCCC1)C2 ZINC000872153345 589885334 /nfs/dbraw/zinc/88/53/34/589885334.db2.gz JTHAIHNWOZXHPP-LSDHHAIUSA-N 1 3 236.403 2.498 20 0 BEADHO CCc1nocc1CN(C)CCCCCC[NH3+] ZINC000872155843 589886419 /nfs/dbraw/zinc/88/64/19/589886419.db2.gz YCWTWHZRMDWVQI-UHFFFAOYSA-N 1 3 239.363 2.188 20 0 BEADHO C1=C[C@H]([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873213772 589997065 /nfs/dbraw/zinc/99/70/65/589997065.db2.gz PEEVOWZDSYNUED-NSHDSACASA-N 1 3 234.368 2.202 20 0 BEADHO CC(C)CCC[NH2+][C@]12CCC[C@@H]1NCC2 ZINC000873232101 590000735 /nfs/dbraw/zinc/00/07/35/590000735.db2.gz VPRRIYWRAVNXPP-STQMWFEESA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@@H](C)C[NH2+]C1(CCOC)CCNCC1 ZINC000873225425 590000938 /nfs/dbraw/zinc/00/09/38/590000938.db2.gz YGQPAWIWAVDQPU-CYBMUJFWSA-N 1 3 242.407 2.171 20 0 BEADHO CCC(CC)C[NH2+][C@]12CCC[C@H]1NCC2 ZINC000873229811 590001674 /nfs/dbraw/zinc/00/16/74/590001674.db2.gz GJORUKXVMMZFSP-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](C)C[NH2+][C@@]12CCC[C@H]1NCC2 ZINC000873229725 590001909 /nfs/dbraw/zinc/00/19/09/590001909.db2.gz FDZYGZAJVWAQML-YNEHKIRRSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000873235974 590003718 /nfs/dbraw/zinc/00/37/18/590003718.db2.gz SBSDUSMOFMYDFZ-UPJWGTAASA-N 1 3 242.432 2.107 20 0 BEADHO C[C@@H](NCC[C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000873236290 590004183 /nfs/dbraw/zinc/00/41/83/590004183.db2.gz VKZNJWIWFXPVHS-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](NCC[C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000873236293 590004605 /nfs/dbraw/zinc/00/46/05/590004605.db2.gz VKZNJWIWFXPVHS-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])C(C)(F)F ZINC000873250699 590008126 /nfs/dbraw/zinc/00/81/26/590008126.db2.gz GXUKGUPRXWWJJB-IUCAKERBSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000873251033 590008351 /nfs/dbraw/zinc/00/83/51/590008351.db2.gz IAYTZBGAEIGCFJ-RKDXNWHRSA-N 1 3 222.323 2.383 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)C(C)(F)F ZINC000873251033 590008352 /nfs/dbraw/zinc/00/83/52/590008352.db2.gz IAYTZBGAEIGCFJ-RKDXNWHRSA-N 1 3 222.323 2.383 20 0 BEADHO C([C@@H]1CCCNC1)[NH+]1CCCCCCC1 ZINC000020266244 590093547 /nfs/dbraw/zinc/09/35/47/590093547.db2.gz LDPSEVMDESXUQV-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO CN1CC[C@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743493 590410735 /nfs/dbraw/zinc/41/07/35/590410735.db2.gz WJSQAVRBSNHSPY-HOTGVXAUSA-N 1 3 244.382 2.255 20 0 BEADHO CN1CC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000877743493 590410736 /nfs/dbraw/zinc/41/07/36/590410736.db2.gz WJSQAVRBSNHSPY-HOTGVXAUSA-N 1 3 244.382 2.255 20 0 BEADHO C[C@H]1C[C@@H](NC2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834315 590428903 /nfs/dbraw/zinc/42/89/03/590428903.db2.gz QFZMQZLXCZYPHG-UWVGGRQHSA-N 1 3 232.318 2.247 20 0 BEADHO C[C@H]1C[C@@H](NC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834315 590428905 /nfs/dbraw/zinc/42/89/05/590428905.db2.gz QFZMQZLXCZYPHG-UWVGGRQHSA-N 1 3 232.318 2.247 20 0 BEADHO C[C@H]1C[C@H](NC2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834363 590429387 /nfs/dbraw/zinc/42/93/87/590429387.db2.gz QFZMQZLXCZYPHG-VHSXEESVSA-N 1 3 232.318 2.247 20 0 BEADHO C[C@H]1C[C@H](NC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834363 590429389 /nfs/dbraw/zinc/42/93/89/590429389.db2.gz QFZMQZLXCZYPHG-VHSXEESVSA-N 1 3 232.318 2.247 20 0 BEADHO C=C/C=C/CC[NH+]1CCC(N(C)C)CC1 ZINC000877958705 590458391 /nfs/dbraw/zinc/45/83/91/590458391.db2.gz DLHJIGGVVWWXGY-AATRIKPKSA-N 1 3 208.349 2.145 20 0 BEADHO CC(C)SCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140826 590940131 /nfs/dbraw/zinc/94/01/31/590940131.db2.gz DGDBZRCPQWJYSK-CHWSQXEVSA-N 1 3 242.432 2.297 20 0 BEADHO CC(C)SCCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140826 590940132 /nfs/dbraw/zinc/94/01/32/590940132.db2.gz DGDBZRCPQWJYSK-CHWSQXEVSA-N 1 3 242.432 2.297 20 0 BEADHO CCCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880262605 590980835 /nfs/dbraw/zinc/98/08/35/590980835.db2.gz QELUMYRJUPIPRU-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO CCCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880262605 590980836 /nfs/dbraw/zinc/98/08/36/590980836.db2.gz QELUMYRJUPIPRU-ZDUSSCGKSA-N 1 3 233.359 2.392 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259549 590980979 /nfs/dbraw/zinc/98/09/79/590980979.db2.gz WAPLJJHDWAPPTG-HZSPNIEDSA-N 1 3 245.370 2.248 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880259549 590980981 /nfs/dbraw/zinc/98/09/81/590980981.db2.gz WAPLJJHDWAPPTG-HZSPNIEDSA-N 1 3 245.370 2.248 20 0 BEADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](CF)C1 ZINC000880295315 590988907 /nfs/dbraw/zinc/98/89/07/590988907.db2.gz JWBVFNTVTPONEU-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](CF)C1 ZINC000880295315 590988910 /nfs/dbraw/zinc/98/89/10/590988910.db2.gz JWBVFNTVTPONEU-STQMWFEESA-N 1 3 228.355 2.152 20 0 BEADHO C[C@H]1C[C@H]1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880476119 591053602 /nfs/dbraw/zinc/05/36/02/591053602.db2.gz NTMHJIDGNQOVOG-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCNCC1)C2 ZINC000129220782 591269948 /nfs/dbraw/zinc/26/99/48/591269948.db2.gz AESJTXFICXVWMF-HOTGVXAUSA-N 1 3 244.382 2.276 20 0 BEADHO [NH3+]C[C@@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883417171 591652613 /nfs/dbraw/zinc/65/26/13/591652613.db2.gz PUBFCCGRABVPQD-WDEREUQCSA-N 1 3 232.318 2.093 20 0 BEADHO C=C/C=C\CCN(C1CC1)C1CC[NH2+]CC1 ZINC000883415763 591653147 /nfs/dbraw/zinc/65/31/47/591653147.db2.gz DMPPJOIDAIIIDZ-ARJAWSKDSA-N 1 3 220.360 2.335 20 0 BEADHO CN(CC[C@H]1CCCC1(F)F)C1CC[NH2+]CC1 ZINC000883416132 591653291 /nfs/dbraw/zinc/65/32/91/591653291.db2.gz MMEKMQOXZAHTHW-LLVKDONJSA-N 1 3 246.345 2.496 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCC2(CCC2)O1 ZINC000883418831 591654226 /nfs/dbraw/zinc/65/42/26/591654226.db2.gz SZGPHRVQSRQGAZ-CHWSQXEVSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CCCC(C)(C)O1 ZINC000883418696 591654849 /nfs/dbraw/zinc/65/48/49/591654849.db2.gz PEJQLMNOYQIHBC-JSGCOSHPSA-N 1 3 242.407 2.297 20 0 BEADHO NCC12CC(C1)C[N@@H+]2CC[C@@H]1CCCC1(F)F ZINC000883435818 591665852 /nfs/dbraw/zinc/66/58/52/591665852.db2.gz DEPZUDISAVZZEF-CXQJBGSLSA-N 1 3 244.329 2.235 20 0 BEADHO NCC12CC(C1)C[N@H+]2CC[C@@H]1CCCC1(F)F ZINC000883435818 591665853 /nfs/dbraw/zinc/66/58/53/591665853.db2.gz DEPZUDISAVZZEF-CXQJBGSLSA-N 1 3 244.329 2.235 20 0 BEADHO COCCCCCN1CC[NH2+]CCC12CCC2 ZINC000883458629 591674401 /nfs/dbraw/zinc/67/44/01/591674401.db2.gz QVALEBDDEYFOAG-UHFFFAOYSA-N 1 3 240.391 2.021 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCC2CCOCC2)c2ccccc21 ZINC000132111840 591687423 /nfs/dbraw/zinc/68/74/23/591687423.db2.gz VHXCYVVKDQKBIP-CABCVRRESA-N 1 3 246.354 2.147 20 0 BEADHO CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887134911 592448396 /nfs/dbraw/zinc/44/83/96/592448396.db2.gz SGHDYNFTKFLCNZ-CHWSQXEVSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@@H](C)[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC000887134911 592448397 /nfs/dbraw/zinc/44/83/97/592448397.db2.gz SGHDYNFTKFLCNZ-CHWSQXEVSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134911 592448399 /nfs/dbraw/zinc/44/83/99/592448399.db2.gz SGHDYNFTKFLCNZ-CHWSQXEVSA-N 1 3 233.359 2.391 20 0 BEADHO CCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130510 592448497 /nfs/dbraw/zinc/44/84/97/592448497.db2.gz FRQWYKDCZUTZCX-LBPRGKRZSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC1CC1 ZINC000887132917 592448964 /nfs/dbraw/zinc/44/89/64/592448964.db2.gz QAVYXJWFYXUYSB-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CC1 ZINC000887132917 592448968 /nfs/dbraw/zinc/44/89/68/592448968.db2.gz QAVYXJWFYXUYSB-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CC1 ZINC000887132917 592448973 /nfs/dbraw/zinc/44/89/73/592448973.db2.gz QAVYXJWFYXUYSB-LBPRGKRZSA-N 1 3 231.343 2.002 20 0 BEADHO C/C=C\CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925720121 634459168 /nfs/dbraw/zinc/45/91/68/634459168.db2.gz WPZIOCUAPOHMQF-KUHFFWNOSA-N 1 3 222.376 2.320 20 0 BEADHO [NH3+]CC[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000125577372 634565487 /nfs/dbraw/zinc/56/54/87/634565487.db2.gz AJZCAGQMIPGRKK-JTQLQIEISA-N 1 3 240.297 2.136 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C=CCC1 ZINC000925731710 634568441 /nfs/dbraw/zinc/56/84/41/634568441.db2.gz MQAWBONWGRTIQX-AAEUAGOBSA-N 1 3 245.370 2.466 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC23CCC3)CCS1 ZINC000925857694 635548790 /nfs/dbraw/zinc/54/87/90/635548790.db2.gz HWDBZXXVPOCKLH-UTUOFQBUSA-N 1 3 240.416 2.145 20 0 BEADHO C[C@@H](N[C@H]1CCS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861588 635556111 /nfs/dbraw/zinc/55/61/11/635556111.db2.gz QJQXRVLDKSDYJN-NDBYEHHHSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H](N[C@H]1CCS[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000925861589 635556715 /nfs/dbraw/zinc/55/67/15/635556715.db2.gz QJQXRVLDKSDYJN-VOAKCMCISA-N 1 3 242.432 2.391 20 0 BEADHO CC[C@H](NC[C@@H](COC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000925874935 635596340 /nfs/dbraw/zinc/59/63/40/635596340.db2.gz XPNMCEPOFMBRRC-IHRRRGAJSA-N 1 3 242.407 2.025 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000925882140 635610167 /nfs/dbraw/zinc/61/01/67/635610167.db2.gz XOPSCLFYSLDVBU-KBPBESRZSA-N 1 3 222.376 2.450 20 0 BEADHO C[C@@H](CNC[C@@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000062078927 631646453 /nfs/dbraw/zinc/64/64/53/631646453.db2.gz FYJRGXBPNXZONH-KBPBESRZSA-N 1 3 238.375 2.001 20 0 BEADHO CSC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCC1 ZINC000235116023 631961380 /nfs/dbraw/zinc/96/13/80/631961380.db2.gz JRPPMSVVLUEXAI-NEPJUHHUSA-N 1 3 242.432 2.379 20 0 BEADHO CCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308890424 632093624 /nfs/dbraw/zinc/09/36/24/632093624.db2.gz XWVIZZMDRKBCKP-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2CN)CCCS1 ZINC000250783807 632545797 /nfs/dbraw/zinc/54/57/97/632545797.db2.gz FEZGHORLLIHIMT-RWMBFGLXSA-N 1 3 242.432 2.379 20 0 BEADHO C[C@H](C1CC1)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219754930 632564141 /nfs/dbraw/zinc/56/41/41/632564141.db2.gz NRYXWBRWGQJGMK-YPMHNXCESA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](C1CC1)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219754930 632564146 /nfs/dbraw/zinc/56/41/46/632564146.db2.gz NRYXWBRWGQJGMK-YPMHNXCESA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@]1(C[NH3+])CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000235416090 632704824 /nfs/dbraw/zinc/70/48/24/632704824.db2.gz FIPXVRBDYOSUNV-INIZCTEOSA-N 1 3 244.382 2.346 20 0 BEADHO C[C@H]1CCN(CCc2cccs2)C[C@@H]1C[NH3+] ZINC000167664665 633130900 /nfs/dbraw/zinc/13/09/00/633130900.db2.gz YXIKOPUIGYRLET-RYUDHWBXSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@H]1CC[N@H+](CCc2cccs2)C[C@@H]1CN ZINC000167664665 633130902 /nfs/dbraw/zinc/13/09/02/633130902.db2.gz YXIKOPUIGYRLET-RYUDHWBXSA-N 1 3 238.400 2.207 20 0 BEADHO C[C@H]1CC[N@@H+](CCc2cccs2)C[C@@H]1CN ZINC000167664665 633130905 /nfs/dbraw/zinc/13/09/05/633130905.db2.gz YXIKOPUIGYRLET-RYUDHWBXSA-N 1 3 238.400 2.207 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+]C2CCNCC2)s1 ZINC000070716126 636028523 /nfs/dbraw/zinc/02/85/23/636028523.db2.gz XZEGZEZOLFNFEG-SNVBAGLBSA-N 1 3 238.400 2.329 20 0 BEADHO CCC(C)(C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328460802 633764720 /nfs/dbraw/zinc/76/47/20/633764720.db2.gz UNMIBZFSQFCIHR-NWBUJAPZSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H](C)C1 ZINC000328469811 633767791 /nfs/dbraw/zinc/76/77/91/633767791.db2.gz ZAWTWYUMUKVEOY-XMMDLHNASA-N 1 3 248.414 2.397 20 0 BEADHO C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925541123 633955720 /nfs/dbraw/zinc/95/57/20/633955720.db2.gz HMUUOVTWYREYSU-XBFCOCLRSA-N 1 3 245.370 2.045 20 0 BEADHO C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925541106 633956262 /nfs/dbraw/zinc/95/62/62/633956262.db2.gz HMUUOVTWYREYSU-BNOWGMLFSA-N 1 3 245.370 2.045 20 0 BEADHO Cc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925563175 634048068 /nfs/dbraw/zinc/04/80/68/634048068.db2.gz SKYBFKMYKVEGMV-KBPBESRZSA-N 1 3 247.386 2.386 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCO[C@@H]1C ZINC000252751882 634229545 /nfs/dbraw/zinc/22/95/45/634229545.db2.gz XCCWNUHXDJDGHV-MQYQWHSLSA-N 1 3 240.391 2.064 20 0 BEADHO Cc1cc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccn1 ZINC000925680747 634279338 /nfs/dbraw/zinc/27/93/38/634279338.db2.gz TVQFBMOWCWZVIA-ZIAGYGMSSA-N 1 3 247.386 2.386 20 0 BEADHO COC(C)(C)CC[NH+]1CCC(C)(N(C)C)CC1 ZINC000931352468 634370627 /nfs/dbraw/zinc/37/06/27/634370627.db2.gz MAUOEJWWLUPLOG-UHFFFAOYSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@H](NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000925772828 635215844 /nfs/dbraw/zinc/21/58/44/635215844.db2.gz KFSMWIXIYBTZAC-LOVFCKMRSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925790322 635314038 /nfs/dbraw/zinc/31/40/38/635314038.db2.gz GZEZJDSULBHEIV-HLSYRSCKSA-N 1 3 244.382 2.365 20 0 BEADHO C[C@@]1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCCNC1 ZINC000126288953 635748749 /nfs/dbraw/zinc/74/87/49/635748749.db2.gz BJLBOJAGXAMSQV-HZSPNIEDSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CCCNC1 ZINC000126288953 635748755 /nfs/dbraw/zinc/74/87/55/635748755.db2.gz BJLBOJAGXAMSQV-HZSPNIEDSA-N 1 3 222.376 2.108 20 0 BEADHO C[NH+](C)CCCCCCCNCc1ncc[nH]1 ZINC000067694959 636768406 /nfs/dbraw/zinc/76/84/06/636768406.db2.gz ZQWAPBUGXANOHH-UHFFFAOYSA-N 1 3 238.379 2.011 20 0 BEADHO C[C@@H]1CCC[N@H+](CCCNC2CC2)[C@H]1C ZINC000252175612 636780944 /nfs/dbraw/zinc/78/09/44/636780944.db2.gz OXFMRIAUDDFZDK-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[N@@H+](CCCNC2CC2)[C@H]1C ZINC000252175612 636780947 /nfs/dbraw/zinc/78/09/47/636780947.db2.gz OXFMRIAUDDFZDK-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCCN(CCC[NH2+]C2CC2)[C@H]1C ZINC000252175612 636780965 /nfs/dbraw/zinc/78/09/65/636780965.db2.gz OXFMRIAUDDFZDK-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)CN(C)C ZINC000866364821 636881400 /nfs/dbraw/zinc/88/14/00/636881400.db2.gz QBZNNUXKIWUGEW-UONOGXRCSA-N 1 3 249.402 2.190 20 0 BEADHO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H]1CCC[NH2+]1 ZINC000903436754 637360869 /nfs/dbraw/zinc/36/08/69/637360869.db2.gz BFWRXEQQTZLPQR-XJFOESAGSA-N 1 3 222.376 2.391 20 0 BEADHO CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCCN3)C1 ZINC000903788211 637381842 /nfs/dbraw/zinc/38/18/42/637381842.db2.gz FXSUYVUUWBEIPH-JXQTWKCFSA-N 1 3 222.376 2.251 20 0 BEADHO CC1CC(C[N@H+]2CC[C@@]3(C2)CCCCN3)C1 ZINC000903788211 637381846 /nfs/dbraw/zinc/38/18/46/637381846.db2.gz FXSUYVUUWBEIPH-JXQTWKCFSA-N 1 3 222.376 2.251 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+]C2CC(N)C2)C1 ZINC000906509550 638181919 /nfs/dbraw/zinc/18/19/19/638181919.db2.gz IYUJORVIJPZOLZ-UNXYVOJBSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H]1CCC[C@H](C[NH2+]C2CC(N)C2)C1 ZINC000906510161 638184452 /nfs/dbraw/zinc/18/44/52/638184452.db2.gz OKGWCNLKCSITTF-ZSVAQUKISA-N 1 3 210.365 2.282 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000906518921 638187160 /nfs/dbraw/zinc/18/71/60/638187160.db2.gz UXARPYILYBLTDX-ZYUZMQFOSA-N 1 3 236.281 2.187 20 0 BEADHO CCCC[NH2+]CC(C)(C)CN1CCCC1 ZINC000906527007 638192137 /nfs/dbraw/zinc/19/21/37/638192137.db2.gz CESKFCYWHMNXCX-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO C[NH+]1C[C@]2(C)CN(CCCCCF)C[C@@]2(C)C1 ZINC000931313852 640152185 /nfs/dbraw/zinc/15/21/85/640152185.db2.gz GYKSFOBCNXWWQY-ZIAGYGMSSA-N 1 3 242.382 2.400 20 0 BEADHO C[C@@H](C1CC1)[NH+]1CCC(C)(N(C)C)CC1 ZINC000931355017 640166800 /nfs/dbraw/zinc/16/68/00/640166800.db2.gz NXQUKTRGANMKIK-NSHDSACASA-N 1 3 210.365 2.201 20 0 BEADHO C[C@@H](C1CC1)N1CCC(C)([NH+](C)C)CC1 ZINC000931355017 640166804 /nfs/dbraw/zinc/16/68/04/640166804.db2.gz NXQUKTRGANMKIK-NSHDSACASA-N 1 3 210.365 2.201 20 0 BEADHO C[C@H](C[NH2+]C1CCCC1)CN1CCCC1 ZINC000057994368 640658478 /nfs/dbraw/zinc/65/84/78/640658478.db2.gz RCPGUZYIZVRVCK-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227540358 640838614 /nfs/dbraw/zinc/83/86/14/640838614.db2.gz QRRFUAMNLPDOMP-WRSRJMLGSA-N 1 3 202.301 2.129 20 0 BEADHO CC[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228740328 640892868 /nfs/dbraw/zinc/89/28/68/640892868.db2.gz OCQSRSRIODELDZ-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228740328 640892869 /nfs/dbraw/zinc/89/28/69/640892869.db2.gz OCQSRSRIODELDZ-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@]1(C[NH2+]C2CCCCC2)CCCNC1 ZINC000062862195 641100184 /nfs/dbraw/zinc/10/01/84/641100184.db2.gz BFKGDUNWFLGRCR-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO CC[C@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000062862090 641101626 /nfs/dbraw/zinc/10/16/26/641101626.db2.gz XBYYMBDUUDYABM-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000062862090 641101630 /nfs/dbraw/zinc/10/16/30/641101630.db2.gz XBYYMBDUUDYABM-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)C[N@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000062862737 641102031 /nfs/dbraw/zinc/10/20/31/641102031.db2.gz JFZHJZPLDVFBPZ-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[N@@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000062862737 641102033 /nfs/dbraw/zinc/10/20/33/641102033.db2.gz JFZHJZPLDVFBPZ-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CCCC1 ZINC000088162887 641319683 /nfs/dbraw/zinc/31/96/83/641319683.db2.gz LOBYTSRXOANCBY-DRZSPHRISA-N 1 3 210.365 2.282 20 0 BEADHO [NH3+]CCCCCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000043428043 641563458 /nfs/dbraw/zinc/56/34/58/641563458.db2.gz BBVNGFFCALAWHZ-UONOGXRCSA-N 1 3 240.391 2.149 20 0 BEADHO CC[C@@H]1C[C@H]1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000929834215 641729026 /nfs/dbraw/zinc/72/90/26/641729026.db2.gz GZUOUOHFRQJDJU-KGLIPLIRSA-N 1 3 245.370 2.250 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)CN(C)C ZINC000723560991 711517601 /nfs/dbraw/zinc/51/76/01/711517601.db2.gz VLBUHXOTRUCWKF-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925472172 642391172 /nfs/dbraw/zinc/39/11/72/642391172.db2.gz AYURWSFHGMQMMW-NGFQHRJXSA-N 1 3 236.403 2.400 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000232957713 642637266 /nfs/dbraw/zinc/63/72/66/642637266.db2.gz RKRZMJPEQLIEJF-IJLUTSLNSA-N 1 3 210.365 2.140 20 0 BEADHO CC1(C)CCC([NH2+]C2CCNCC2)CC1 ZINC000070623363 643048398 /nfs/dbraw/zinc/04/83/98/643048398.db2.gz HMVQCQLIXABCIE-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1nccs1 ZINC000070733414 643066725 /nfs/dbraw/zinc/06/67/25/643066725.db2.gz LRIJZASONZCBPE-JTQLQIEISA-N 1 3 227.377 2.313 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)CC1 ZINC000082491036 643325514 /nfs/dbraw/zinc/32/55/14/643325514.db2.gz VXOJCELMRUMVMI-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)CC1 ZINC000082491036 643325518 /nfs/dbraw/zinc/32/55/18/643325518.db2.gz VXOJCELMRUMVMI-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000084217597 643649670 /nfs/dbraw/zinc/64/96/70/643649670.db2.gz HAOOSEZGYOBHKQ-PYNQCMFNSA-N 1 3 210.365 2.282 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000084216479 643649952 /nfs/dbraw/zinc/64/99/52/643649952.db2.gz DKIKJVKJVORTIV-OLZOCXBDSA-N 1 3 238.400 2.398 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000084220724 643650578 /nfs/dbraw/zinc/65/05/78/643650578.db2.gz NOWVUAWGECPQFE-RYUDHWBXSA-N 1 3 224.373 2.008 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000084220710 643651846 /nfs/dbraw/zinc/65/18/46/643651846.db2.gz NOWVUAWGECPQFE-VXGBXAGGSA-N 1 3 224.373 2.008 20 0 BEADHO C1=CO[C@@H](CNCCC[NH+]2CCCCC2)CC1 ZINC000050267583 643670811 /nfs/dbraw/zinc/67/08/11/643670811.db2.gz NPUDJERZKHUVCW-CQSZACIVSA-N 1 3 238.375 2.145 20 0 BEADHO C[C@@H]([NH2+]CC12CC3CC(CC(C3)C1)C2)C1CNC1 ZINC000422753197 643882226 /nfs/dbraw/zinc/88/22/26/643882226.db2.gz ICXCMSZQOGOGGQ-UWJCENJNSA-N 1 3 248.414 2.400 20 0 BEADHO C(NC1CCCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000081003208 644303101 /nfs/dbraw/zinc/30/31/01/644303101.db2.gz XETVQFNBPHODBU-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO CC(C)CC[C@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000923298986 644336967 /nfs/dbraw/zinc/33/69/67/644336967.db2.gz VWERRYRLOORYNW-KBPBESRZSA-N 1 3 244.423 2.089 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000084219975 644421393 /nfs/dbraw/zinc/42/13/93/644421393.db2.gz SXANWZHUBKQYQH-CHWSQXEVSA-N 1 3 210.365 2.284 20 0 BEADHO CCCCCC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923420263 644424215 /nfs/dbraw/zinc/42/42/15/644424215.db2.gz HFLSFXKHIWXGLI-RWMBFGLXSA-N 1 3 242.407 2.033 20 0 BEADHO CCCCCC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923420263 644424219 /nfs/dbraw/zinc/42/42/19/644424219.db2.gz HFLSFXKHIWXGLI-RWMBFGLXSA-N 1 3 242.407 2.033 20 0 BEADHO C[C@H]1CCC(C)(C)[N@@H+]1CCCNC1CC1 ZINC000923420441 644424776 /nfs/dbraw/zinc/42/47/76/644424776.db2.gz IUWIDPMXXJABRW-NSHDSACASA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H]1CCC(C)(C)[N@H+]1CCCNC1CC1 ZINC000923420441 644424779 /nfs/dbraw/zinc/42/47/79/644424779.db2.gz IUWIDPMXXJABRW-NSHDSACASA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923530669 644486625 /nfs/dbraw/zinc/48/66/25/644486625.db2.gz MBMPRGYASYSCGP-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923530669 644486631 /nfs/dbraw/zinc/48/66/31/644486631.db2.gz MBMPRGYASYSCGP-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)[C@H]1C ZINC000245224841 644518287 /nfs/dbraw/zinc/51/82/87/644518287.db2.gz GLILUBLVMICMFH-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754384 644899954 /nfs/dbraw/zinc/89/99/54/644899954.db2.gz BBLMGAFLDVWLFC-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754384 644899957 /nfs/dbraw/zinc/89/99/57/644899957.db2.gz BBLMGAFLDVWLFC-RFGFWPKPSA-N 1 3 224.392 2.482 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000252787539 644906701 /nfs/dbraw/zinc/90/67/01/644906701.db2.gz BBEPVTJNTYGMKM-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252807618 644908558 /nfs/dbraw/zinc/90/85/58/644908558.db2.gz CYTVXHVKYVZDFE-RWMBFGLXSA-N 1 3 242.432 2.344 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC000929792346 646322552 /nfs/dbraw/zinc/32/25/52/646322552.db2.gz ZIZJWOZUKFQNFS-MOKVOYLWSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC000929792346 646322554 /nfs/dbraw/zinc/32/25/54/646322554.db2.gz ZIZJWOZUKFQNFS-MOKVOYLWSA-N 1 3 224.392 2.306 20 0 BEADHO CCCC1(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925586341 646347272 /nfs/dbraw/zinc/34/72/72/646347272.db2.gz CMVUHKAREUFXFW-LBPRGKRZSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925597989 646350725 /nfs/dbraw/zinc/35/07/25/646350725.db2.gz ZRGRVGDJABHNRD-AVGNSLFASA-N 1 3 222.376 2.439 20 0 BEADHO C1CC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925593395 646351349 /nfs/dbraw/zinc/35/13/49/646351349.db2.gz GGQBTUVBDVPIED-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C[NH2+][C@H]2CCNC23CCC3)CCCC1 ZINC000925596295 646351801 /nfs/dbraw/zinc/35/18/01/646351801.db2.gz SARBIOKAQUBLQD-LBPRGKRZSA-N 1 3 222.376 2.441 20 0 BEADHO CC1(C)[C@H]([NH2+][C@@H]2CC=CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925619337 646367800 /nfs/dbraw/zinc/36/78/00/646367800.db2.gz MRXTYNIINVICLO-YIYPIFLZSA-N 1 3 234.387 2.461 20 0 BEADHO CC(C)[NH2+]C1CCN([C@H](C)C2CC2)CC1 ZINC000929962396 646379146 /nfs/dbraw/zinc/37/91/46/646379146.db2.gz SZOGQSAQWHEEDH-LLVKDONJSA-N 1 3 210.365 2.247 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925641179 646381568 /nfs/dbraw/zinc/38/15/68/646381568.db2.gz BAFFXKFENSFLBT-LBPRGKRZSA-N 1 3 242.432 2.394 20 0 BEADHO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000925686005 646412603 /nfs/dbraw/zinc/41/26/03/646412603.db2.gz PGSMOFJSPHHLRY-UMSGYPCISA-N 1 3 220.360 2.049 20 0 BEADHO CC1(C)C[C@]1(C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716877 646440729 /nfs/dbraw/zinc/44/07/29/646440729.db2.gz RNXWKDPQJZVJPT-FOGDFJRCSA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)C1CNC1 ZINC000925736696 646460018 /nfs/dbraw/zinc/46/00/18/646460018.db2.gz NKINWFACRIDFJV-ONGXEEELSA-N 1 3 232.318 2.009 20 0 BEADHO COc1ccc2c(c1)[C@H](NCCC(C)(C)[NH3+])CC2 ZINC000925741510 646462669 /nfs/dbraw/zinc/46/26/69/646462669.db2.gz TYYVXXNJJRAFRT-CQSZACIVSA-N 1 3 248.370 2.400 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CC1(C)C ZINC000925782480 646478803 /nfs/dbraw/zinc/47/88/03/646478803.db2.gz GPTYSDYTAUYRCA-NOOOWODRSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1NC(C1CCC1)C1CCC1 ZINC000925782294 646479436 /nfs/dbraw/zinc/47/94/36/646479436.db2.gz FDTREWYCLLXZJW-ZWNOBZJWSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C(C1CCC1)C1CCC1 ZINC000925782294 646479440 /nfs/dbraw/zinc/47/94/40/646479440.db2.gz FDTREWYCLLXZJW-ZWNOBZJWSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@]12C[C@H]1CCC2 ZINC000925879992 646529725 /nfs/dbraw/zinc/52/97/25/646529725.db2.gz FSKQUPNVCNZWMD-AGIUHOORSA-N 1 3 220.360 2.051 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CC=CC1 ZINC000724200689 711569037 /nfs/dbraw/zinc/56/90/37/711569037.db2.gz PVVAMQJWJUCGMC-OLZOCXBDSA-N 1 3 208.349 2.060 20 0 BEADHO CSC1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000706927320 712161860 /nfs/dbraw/zinc/16/18/60/712161860.db2.gz GSQRQQHTWZHUQP-IGJPJIBNSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H](C[N@H+](C)CCCN)CC(C)(C)C ZINC000708315135 712186737 /nfs/dbraw/zinc/18/67/37/712186737.db2.gz SRXBGHWLIOQFBY-LLVKDONJSA-N 1 3 200.370 2.339 20 0 BEADHO C[C@@H](C[N@@H+](C)CCCN)CC(C)(C)C ZINC000708315135 712186739 /nfs/dbraw/zinc/18/67/39/712186739.db2.gz SRXBGHWLIOQFBY-LLVKDONJSA-N 1 3 200.370 2.339 20 0 BEADHO C[C@@]1(CN)CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714921496 712499756 /nfs/dbraw/zinc/49/97/56/712499756.db2.gz ZEKKKAICNKDVIN-RDBSUJKOSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@@]1(CN)CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714921496 712499758 /nfs/dbraw/zinc/49/97/58/712499758.db2.gz ZEKKKAICNKDVIN-RDBSUJKOSA-N 1 3 222.376 2.093 20 0 BEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1cccs1 ZINC000717310733 712646405 /nfs/dbraw/zinc/64/64/05/712646405.db2.gz UQRMSDXKSGBDSZ-VIFPVBQESA-N 1 3 246.326 2.083 20 0 BEADHO CCCCCN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720809506 712867352 /nfs/dbraw/zinc/86/73/52/712867352.db2.gz ZVYWWTYZEJTZFG-VHSXEESVSA-N 1 3 238.297 2.246 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N)[C@@H](CC)C1 ZINC000723119093 710726383 /nfs/dbraw/zinc/72/63/83/710726383.db2.gz WPJIOWAVRJUGPP-VOAKCMCISA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)[C@@H](CC)C1 ZINC000723119093 710726388 /nfs/dbraw/zinc/72/63/88/710726388.db2.gz WPJIOWAVRJUGPP-VOAKCMCISA-N 1 3 210.365 2.092 20 0 BEADHO CCN1CC[C@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000382099357 710776220 /nfs/dbraw/zinc/77/62/20/710776220.db2.gz BEMFWOOQCJTESA-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CCCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385486674 711013796 /nfs/dbraw/zinc/01/37/96/711013796.db2.gz HETWZSJHWLNYBP-FFNDWZFNSA-N 1 3 248.414 2.399 20 0 BEADHO CC(C)C[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392871598 711153547 /nfs/dbraw/zinc/15/35/47/711153547.db2.gz JLNYROZZTTZURR-BSCCGWMCSA-N 1 3 222.376 2.007 20 0 BEADHO CN(C[C@]1(C)CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000395458741 711212283 /nfs/dbraw/zinc/21/22/83/711212283.db2.gz DCXKFVCCBOJNGD-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@H+](C[C@]1(C)CCCNC1)C1CC(C)(C)C1 ZINC000395458741 711212285 /nfs/dbraw/zinc/21/22/85/711212285.db2.gz DCXKFVCCBOJNGD-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@@H+](C[C@]1(C)CCCNC1)C1CC(C)(C)C1 ZINC000395458741 711212287 /nfs/dbraw/zinc/21/22/87/711212287.db2.gz DCXKFVCCBOJNGD-CQSZACIVSA-N 1 3 224.392 2.497 20 0 BEADHO CSC1(CN[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396541581 711353674 /nfs/dbraw/zinc/35/36/74/711353674.db2.gz ATDKCCVTFAWOSI-WDEREUQCSA-N 1 3 228.405 2.002 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@]1(C)CCCNC1 ZINC000399010438 711418672 /nfs/dbraw/zinc/41/86/72/711418672.db2.gz AOJKZDOANIEESG-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@]1(C)CCCNC1 ZINC000399010438 711418676 /nfs/dbraw/zinc/41/86/76/711418676.db2.gz AOJKZDOANIEESG-BFHYXJOUSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCCN(C)CC[C@@H]1CC1(Cl)Cl ZINC000399262834 711426040 /nfs/dbraw/zinc/42/60/40/711426040.db2.gz PQMUJGDFTHYXPC-SECBINFHSA-N 1 3 239.190 2.112 20 0 BEADHO CC(C)(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC1 ZINC000384907156 711000373 /nfs/dbraw/zinc/00/03/73/711000373.db2.gz ATNNNEBCJHKCGC-XSXPHNMFSA-N 1 3 248.414 2.399 20 0 BEADHO CC[C@@H]1C[N@H+](CCCC2CC2)CC[C@H]1N ZINC000394569083 711195068 /nfs/dbraw/zinc/19/50/68/711195068.db2.gz PDFMDFMPYRTMJC-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[N@@H+](CCCC2CC2)CC[C@H]1N ZINC000394569083 711195070 /nfs/dbraw/zinc/19/50/70/711195070.db2.gz PDFMDFMPYRTMJC-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1CN(CCCC2CC2)CC[C@H]1[NH3+] ZINC000394569083 711195072 /nfs/dbraw/zinc/19/50/72/711195072.db2.gz PDFMDFMPYRTMJC-CHWSQXEVSA-N 1 3 210.365 2.236 20 0 BEADHO CCCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396699216 711365055 /nfs/dbraw/zinc/36/50/55/711365055.db2.gz KNEFBDQJVKDCMM-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[N@H+](CCCN)C[C@H]1CCCC(C)(C)C1 ZINC000390433282 711512378 /nfs/dbraw/zinc/51/23/78/711512378.db2.gz AYQUHSZTVYOTTN-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO C[N@@H+](CCCN)C[C@H]1CCCC(C)(C)C1 ZINC000390433282 711512381 /nfs/dbraw/zinc/51/23/81/711512381.db2.gz AYQUHSZTVYOTTN-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@@H](NCCC1CC=CC1)[C@H]1CCCC[NH2+]1 ZINC000724202163 711569592 /nfs/dbraw/zinc/56/95/92/711569592.db2.gz KHSIIVFFKPGGOB-TZMCWYRMSA-N 1 3 222.376 2.463 20 0 BEADHO FC1(C2CC2)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000724803900 711616132 /nfs/dbraw/zinc/61/61/32/711616132.db2.gz HCRHJGMNIKQUGI-LBPRGKRZSA-N 1 3 240.366 2.200 20 0 BEADHO CCC1(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000383102745 711668207 /nfs/dbraw/zinc/66/82/07/711668207.db2.gz CFQFWTULDQOANB-YHQUGGNUSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@@H](c1ccccn1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439927 711714054 /nfs/dbraw/zinc/71/40/54/711714054.db2.gz YNZAYMWZQSUWNM-MELADBBJSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@@H](c1ccccn1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439927 711714055 /nfs/dbraw/zinc/71/40/55/711714055.db2.gz YNZAYMWZQSUWNM-MELADBBJSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](NC[C@]12C[C@H]1CCC2)[C@@H]1CCCC[NH2+]1 ZINC000925879807 711761874 /nfs/dbraw/zinc/76/18/74/711761874.db2.gz CNLCJTIYFZOPSW-CRWXNKLISA-N 1 3 222.376 2.297 20 0 BEADHO [NH3+]C[C@H]1CCCN1c1ccnc2ccccc21 ZINC000053663505 711775094 /nfs/dbraw/zinc/77/50/94/711775094.db2.gz LKXQHLIREUTJRE-LLVKDONJSA-N 1 3 227.311 2.162 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCOC2(CCC2)C1)N(C)C ZINC000700604730 712001033 /nfs/dbraw/zinc/00/10/33/712001033.db2.gz DSSNQQFXIJRZNK-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700799735 712005656 /nfs/dbraw/zinc/00/56/56/712005656.db2.gz LLUCWCFAKHKZPA-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]1(C)CC1(C)C ZINC000701943819 712032718 /nfs/dbraw/zinc/03/27/18/712032718.db2.gz LPQWDNSXZOUIJP-GMXVVIOVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)C1(Cl)CC1 ZINC000702253501 712041504 /nfs/dbraw/zinc/04/15/04/712041504.db2.gz AEKLUQZNDFZDEC-GHMZBOCLSA-N 1 3 230.783 2.078 20 0 BEADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)C1(Cl)CC1 ZINC000702253501 712041506 /nfs/dbraw/zinc/04/15/06/712041506.db2.gz AEKLUQZNDFZDEC-GHMZBOCLSA-N 1 3 230.783 2.078 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CCCC1CC1)C2 ZINC000702584660 712055959 /nfs/dbraw/zinc/05/59/59/712055959.db2.gz UHWQOTGHELDCHP-OKILXGFUSA-N 1 3 222.376 2.108 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCCC23CC3)CCCNC1 ZINC000706589396 712150610 /nfs/dbraw/zinc/15/06/10/712150610.db2.gz OOCFSCHMIVIETA-OLZOCXBDSA-N 1 3 222.376 2.298 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710511331 712253703 /nfs/dbraw/zinc/25/37/03/712253703.db2.gz VRSSHSHUVXSJGW-LDMBFOFVSA-N 1 3 244.329 2.089 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)N(C)C ZINC000710931258 712265930 /nfs/dbraw/zinc/26/59/30/712265930.db2.gz QINSFXWXPNBOSZ-FQUUOJAGSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711417450 712299516 /nfs/dbraw/zinc/29/95/16/712299516.db2.gz VWQFIXDFWMODNR-RYUDHWBXSA-N 1 3 216.344 2.041 20 0 BEADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711417450 712299517 /nfs/dbraw/zinc/29/95/17/712299517.db2.gz VWQFIXDFWMODNR-RYUDHWBXSA-N 1 3 216.344 2.041 20 0 BEADHO C=C/C=C\CC[N@H+]1CCCC[C@@H]1CCN ZINC000713734689 712470488 /nfs/dbraw/zinc/47/04/88/712470488.db2.gz LGWNHINBKOSNGU-DHCBQETCSA-N 1 3 208.349 2.322 20 0 BEADHO C=C/C=C\CC[N@@H+]1CCCC[C@@H]1CCN ZINC000713734689 712470489 /nfs/dbraw/zinc/47/04/89/712470489.db2.gz LGWNHINBKOSNGU-DHCBQETCSA-N 1 3 208.349 2.322 20 0 BEADHO CC1(C)CCC[C@@H](CN2CCC[C@@H](C[NH3+])C2)O1 ZINC000714373039 712484507 /nfs/dbraw/zinc/48/45/07/712484507.db2.gz BDIZJUPVVNTPEK-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCC(C)(C)O1 ZINC000714374719 712484692 /nfs/dbraw/zinc/48/46/92/712484692.db2.gz NRVRVZLBYLUQPJ-JHJVBQTASA-N 1 3 240.391 2.146 20 0 BEADHO NC[C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714920699 712499788 /nfs/dbraw/zinc/49/97/88/712499788.db2.gz QCWCBAOFHCHYHT-BNOWGMLFSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714920699 712499790 /nfs/dbraw/zinc/49/97/90/712499790.db2.gz QCWCBAOFHCHYHT-BNOWGMLFSA-N 1 3 222.376 2.093 20 0 BEADHO [NH3+]C[C@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714920699 712499791 /nfs/dbraw/zinc/49/97/91/712499791.db2.gz QCWCBAOFHCHYHT-BNOWGMLFSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714833256 712501288 /nfs/dbraw/zinc/50/12/88/712501288.db2.gz TWHPJPFRFMURGI-QXSJWSMHSA-N 1 3 248.414 2.354 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000388720995 712501726 /nfs/dbraw/zinc/50/17/26/712501726.db2.gz SKFSSVMVISYWEO-QLMDPUNJSA-N 1 3 234.387 2.151 20 0 BEADHO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715541795 712526517 /nfs/dbraw/zinc/52/65/17/712526517.db2.gz IOXRAMOWKZHGJM-RFQIPJPRSA-N 1 3 240.391 2.016 20 0 BEADHO CSC1CC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000715545639 712527114 /nfs/dbraw/zinc/52/71/14/712527114.db2.gz ZSKPAEYAKUIIOJ-GMKTYKIGSA-N 1 3 242.432 2.343 20 0 BEADHO C[C@@H](Cc1ccco1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036993737 712528844 /nfs/dbraw/zinc/52/88/44/712528844.db2.gz MRJOUFIMPYYTRA-FUDCBSFHSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H](Cc1ccco1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036993737 712528845 /nfs/dbraw/zinc/52/88/45/712528845.db2.gz MRJOUFIMPYYTRA-FUDCBSFHSA-N 1 3 248.370 2.425 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000716582875 712564281 /nfs/dbraw/zinc/56/42/81/712564281.db2.gz LQJUIPGNIIESLH-ARSDKDGVSA-N 1 3 236.403 2.386 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000716630907 712568006 /nfs/dbraw/zinc/56/80/06/712568006.db2.gz ATAGNTRXLCHCLL-ARSDKDGVSA-N 1 3 236.403 2.399 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C)C1 ZINC000379998803 712651723 /nfs/dbraw/zinc/65/17/23/712651723.db2.gz LIUIRKUBVWPABZ-XQQFMLRXSA-N 1 3 210.365 2.106 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2ccccn2)C1 ZINC000925494808 712696258 /nfs/dbraw/zinc/69/62/58/712696258.db2.gz MFWNLYJONDZXAS-JSGCOSHPSA-N 1 3 247.386 2.120 20 0 BEADHO CCCC[NH2+]C[C@H](C)CN1CCCCC1 ZINC000037997637 712798481 /nfs/dbraw/zinc/79/84/81/712798481.db2.gz KAHJELKYVBWVFM-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CC[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000038041119 712801687 /nfs/dbraw/zinc/80/16/87/712801687.db2.gz VANCXQXZPWKDJR-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000720775850 712864758 /nfs/dbraw/zinc/86/47/58/712864758.db2.gz ALRRFOZDAJYPEO-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000721169346 712894137 /nfs/dbraw/zinc/89/41/37/712894137.db2.gz VUBCFCHTTMXQQO-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000309276428 959825385 /nfs/dbraw/zinc/82/53/85/959825385.db2.gz DVGGTMLYSYYFHR-MNOVXSKESA-N 1 3 240.778 2.455 20 0 BEADHO CC[C@@H]1CC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000309517386 959896273 /nfs/dbraw/zinc/89/62/73/959896273.db2.gz ZAMQIZUWKCYYKI-VXGBXAGGSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H](CC[NH2+]CC1CCCCC1)N(C)C ZINC000697878820 964605316 /nfs/dbraw/zinc/60/53/16/964605316.db2.gz MIINVJFSJKYKFU-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](CC[NH2+]C1CCC(C)CC1)N(C)C ZINC000697878155 964603211 /nfs/dbraw/zinc/60/32/11/964603211.db2.gz JJVZHYZIADGDAR-CPCZMJQVSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H](CC[NH2+]C[C@@H]1CC=CCC1)N(C)C ZINC000697877834 964603482 /nfs/dbraw/zinc/60/34/82/964603482.db2.gz FPBGTFPLRADVLR-CHWSQXEVSA-N 1 3 210.365 2.273 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN2CC[C@](C)([NH3+])C2)CC1 ZINC001204762774 967154278 /nfs/dbraw/zinc/15/42/78/967154278.db2.gz DFNNKZOISLXKRU-MJBXVCDLSA-N 1 3 222.376 2.402 20 0 BEADHO CN(C)CC(C)(C)C[NH+]1CC2(C1)CCCC2 ZINC001207279318 968712153 /nfs/dbraw/zinc/71/21/53/968712153.db2.gz KIKNXLQZUDNLQX-UHFFFAOYSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@@]1(CN[C@H]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000129396760 1166181236 /nfs/dbraw/zinc/18/12/36/1166181236.db2.gz GJZNXGNGASXMAK-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@]1(CNC2CCCCC2)CCC[NH2+]1 ZINC000215384810 1166216559 /nfs/dbraw/zinc/21/65/59/1166216559.db2.gz LXQJEWUOWHYZST-ZDUSSCGKSA-N 1 3 210.365 2.441 20 0 BEADHO CC[C@@H](C)C[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404929 969159736 /nfs/dbraw/zinc/15/97/36/969159736.db2.gz KEBGYXXMWIKAPH-UPJWGTAASA-N 1 3 244.423 2.150 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)C[C@H]1CCCCO1 ZINC001207285369 1166272872 /nfs/dbraw/zinc/27/28/72/1166272872.db2.gz IITLRCSTTFDZRJ-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)C[C@H]1CCCCO1 ZINC001207285369 1166272880 /nfs/dbraw/zinc/27/28/80/1166272880.db2.gz IITLRCSTTFDZRJ-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC000228003984 1166379781 /nfs/dbraw/zinc/37/97/81/1166379781.db2.gz VMCUPYHATUBODV-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC000228003984 1166379784 /nfs/dbraw/zinc/37/97/84/1166379784.db2.gz VMCUPYHATUBODV-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CCN(C)C1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC001209427108 969495021 /nfs/dbraw/zinc/49/50/21/969495021.db2.gz OKBCGBXLPYYFHP-VXGBXAGGSA-N 1 3 210.365 2.059 20 0 BEADHO CCN(C)C1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC001209427107 969498373 /nfs/dbraw/zinc/49/83/73/969498373.db2.gz OKBCGBXLPYYFHP-RYUDHWBXSA-N 1 3 210.365 2.059 20 0 BEADHO CC[N@@H+](Cc1ccccc1)C[C@@H](N)CC(F)F ZINC000306899284 1166508167 /nfs/dbraw/zinc/50/81/67/1166508167.db2.gz ZVFXNEBHCWKROX-LBPRGKRZSA-N 1 3 242.313 2.491 20 0 BEADHO CC[N@H+](Cc1ccccc1)C[C@@H](N)CC(F)F ZINC000306899284 1166508175 /nfs/dbraw/zinc/50/81/75/1166508175.db2.gz ZVFXNEBHCWKROX-LBPRGKRZSA-N 1 3 242.313 2.491 20 0 BEADHO C[C@H]1C[C@@H]([N@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748726 1166612853 /nfs/dbraw/zinc/61/28/53/1166612853.db2.gz ZMYXJFDBTQJAJP-ONGXEEELSA-N 1 3 232.318 2.104 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+](C)CC2CC(F)(F)C2)CCN1 ZINC000394748726 1166612859 /nfs/dbraw/zinc/61/28/59/1166612859.db2.gz ZMYXJFDBTQJAJP-ONGXEEELSA-N 1 3 232.318 2.104 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1CCOC(C)(C)C1 ZINC001255527565 970293045 /nfs/dbraw/zinc/29/30/45/970293045.db2.gz ORHFMYIINMMQSU-GFCCVEGCSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1CCOC(C)(C)C1 ZINC001255527565 970293068 /nfs/dbraw/zinc/29/30/68/970293068.db2.gz ORHFMYIINMMQSU-GFCCVEGCSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCC(F)(F)F)CCN1 ZINC000709318303 1166692043 /nfs/dbraw/zinc/69/20/43/1166692043.db2.gz HKOODRKZLQFAAN-RKDXNWHRSA-N 1 3 224.270 2.059 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC001255941341 970569698 /nfs/dbraw/zinc/56/96/98/970569698.db2.gz ORTFRKBXGWYEJJ-ZIAGYGMSSA-N 1 3 244.423 2.103 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](CO)CC(C)C ZINC001255941341 970569714 /nfs/dbraw/zinc/56/97/14/970569714.db2.gz ORTFRKBXGWYEJJ-ZIAGYGMSSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C1(C)CCOCC1 ZINC001255941809 970570048 /nfs/dbraw/zinc/57/00/48/970570048.db2.gz XLLSIIVDJMWAHJ-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCCCO1 ZINC001255944170 970578984 /nfs/dbraw/zinc/57/89/84/970578984.db2.gz SHDFOJWMFGVXQZ-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001255944170 970578985 /nfs/dbraw/zinc/57/89/85/970578985.db2.gz SHDFOJWMFGVXQZ-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C1(CO)CCCC1 ZINC001255946778 970581944 /nfs/dbraw/zinc/58/19/44/970581944.db2.gz ZTAILKKKKUTNFF-ZDUSSCGKSA-N 1 3 242.407 2.002 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC001255951296 970583248 /nfs/dbraw/zinc/58/32/48/970583248.db2.gz HULWTIFJULXMSK-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](C)C(C)C ZINC001255955104 970586751 /nfs/dbraw/zinc/58/67/51/970586751.db2.gz NZEUJOGZKPPLLW-GFCCVEGCSA-N 1 3 200.370 2.447 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](C)C(C)C ZINC001255955104 970586756 /nfs/dbraw/zinc/58/67/56/970586756.db2.gz NZEUJOGZKPPLLW-GFCCVEGCSA-N 1 3 200.370 2.447 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CNC[C@H]2C)C1 ZINC000925784861 1166832151 /nfs/dbraw/zinc/83/21/51/1166832151.db2.gz OIDHSXDPFVAVLJ-XJFOESAGSA-N 1 3 224.392 2.399 20 0 BEADHO C[NH+]1CCC(N2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001256205057 970704950 /nfs/dbraw/zinc/70/49/50/970704950.db2.gz VKGULSPKSARELR-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949403 1167006031 /nfs/dbraw/zinc/00/60/31/1167006031.db2.gz WWQTWCMGXFKSCW-SBAKFKMJSA-N 1 3 234.387 2.059 20 0 BEADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001167949403 1167006036 /nfs/dbraw/zinc/00/60/36/1167006036.db2.gz WWQTWCMGXFKSCW-SBAKFKMJSA-N 1 3 234.387 2.059 20 0 BEADHO CCC[C@H](C)[N@H+](C)C[C@H](CN)C(C)C ZINC000251355473 1167135052 /nfs/dbraw/zinc/13/50/52/1167135052.db2.gz RLLBTDJMDAJQOX-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO CCC[C@H](C)[N@@H+](C)C[C@H](CN)C(C)C ZINC000251355473 1167135056 /nfs/dbraw/zinc/13/50/56/1167135056.db2.gz RLLBTDJMDAJQOX-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO C1CCC2(C1)CC[N@@H+](C1CCNCC1)C2 ZINC000308926567 1167222658 /nfs/dbraw/zinc/22/26/58/1167222658.db2.gz MJQUFDVJXWIAMV-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO C1CCC2(C1)CC[N@H+](C1CCNCC1)C2 ZINC000308926567 1167222661 /nfs/dbraw/zinc/22/26/61/1167222661.db2.gz MJQUFDVJXWIAMV-UHFFFAOYSA-N 1 3 208.349 2.005 20 0 BEADHO CCSCCN[C@H](C)CC[NH+](CC)CC ZINC000309046740 1167243697 /nfs/dbraw/zinc/24/36/97/1167243697.db2.gz PBFYHYUYNGIHPN-GFCCVEGCSA-N 1 3 232.437 2.450 20 0 BEADHO CCSCC[NH2+][C@H](C)CCN(CC)CC ZINC000309046740 1167243701 /nfs/dbraw/zinc/24/37/01/1167243701.db2.gz PBFYHYUYNGIHPN-GFCCVEGCSA-N 1 3 232.437 2.450 20 0 BEADHO CC(C)[C@H](CN)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000385505078 1167393366 /nfs/dbraw/zinc/39/33/66/1167393366.db2.gz LOWIRHOQTCDEET-VXGBXAGGSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@H](CN)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000385505078 1167393373 /nfs/dbraw/zinc/39/33/73/1167393373.db2.gz LOWIRHOQTCDEET-VXGBXAGGSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000385505073 1167393995 /nfs/dbraw/zinc/39/39/95/1167393995.db2.gz LOWIRHOQTCDEET-NEPJUHHUSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000385505073 1167393999 /nfs/dbraw/zinc/39/39/99/1167393999.db2.gz LOWIRHOQTCDEET-NEPJUHHUSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCCCN1 ZINC000386029312 1167497433 /nfs/dbraw/zinc/49/74/33/1167497433.db2.gz QJUVXGRHEOCSHH-JQBPPHQNSA-N 1 3 208.349 2.073 20 0 BEADHO C[N@H+](Cc1cc2cnccc2[nH]1)C1CC1 ZINC001232012171 977840687 /nfs/dbraw/zinc/84/06/87/977840687.db2.gz UQLBXUVMJJQPIS-UHFFFAOYSA-N 1 3 201.273 2.157 20 0 BEADHO C[N@@H+](Cc1cc2cnccc2[nH]1)C1CC1 ZINC001232012171 977840691 /nfs/dbraw/zinc/84/06/91/977840691.db2.gz UQLBXUVMJJQPIS-UHFFFAOYSA-N 1 3 201.273 2.157 20 0 BEADHO CCC[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000386447804 1167711587 /nfs/dbraw/zinc/71/15/87/1167711587.db2.gz NOQPGYYVJCPPHF-QNMSZWNNSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccccn1 ZINC000086817249 1168312233 /nfs/dbraw/zinc/31/22/33/1168312233.db2.gz PKUFLGTTXDKMFZ-QWHCGFSZSA-N 1 3 233.359 2.217 20 0 BEADHO CC[C@H](N)C[N@H+](C)CCCc1ccc(C)o1 ZINC001236860461 979767557 /nfs/dbraw/zinc/76/75/57/979767557.db2.gz PPDCYXBJKMXLML-LBPRGKRZSA-N 1 3 224.348 2.190 20 0 BEADHO CC[C@H](N)C[N@@H+](C)CCCc1ccc(C)o1 ZINC001236860461 979767568 /nfs/dbraw/zinc/76/75/68/979767568.db2.gz PPDCYXBJKMXLML-LBPRGKRZSA-N 1 3 224.348 2.190 20 0 BEADHO CC(C)COCC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001172458195 974824128 /nfs/dbraw/zinc/82/41/28/974824128.db2.gz WUZOGQPQDUJOHH-CQSZACIVSA-N 1 3 244.423 2.497 20 0 BEADHO CC(C)COCC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001172458195 974824133 /nfs/dbraw/zinc/82/41/33/974824133.db2.gz WUZOGQPQDUJOHH-CQSZACIVSA-N 1 3 244.423 2.497 20 0 BEADHO CC(C)N(CCC[NH3+])[C@@H](C)Cc1ccccn1 ZINC001256396863 970803124 /nfs/dbraw/zinc/80/31/24/970803124.db2.gz LVDWGPMCAFNWNO-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H](C)Cc1ccccn1 ZINC001256396863 970803127 /nfs/dbraw/zinc/80/31/27/970803127.db2.gz LVDWGPMCAFNWNO-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H](C)Cc1ccccn1 ZINC001256396863 970803136 /nfs/dbraw/zinc/80/31/36/970803136.db2.gz LVDWGPMCAFNWNO-ZDUSSCGKSA-N 1 3 235.375 2.072 20 0 BEADHO CCC[C@H](C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403136478 970881769 /nfs/dbraw/zinc/88/17/69/970881769.db2.gz BWWZNONVSCAWDX-WDEREUQCSA-N 1 3 234.334 2.339 20 0 BEADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)n1C ZINC001256614696 970878553 /nfs/dbraw/zinc/87/85/53/970878553.db2.gz ICUHNMGOUVOPHY-AGUYFDCRSA-N 1 3 247.386 2.048 20 0 BEADHO [NH3+]C[C@H]1CN(CC2CCCC2)CCC1(F)F ZINC000403199492 970892673 /nfs/dbraw/zinc/89/26/73/970892673.db2.gz ZFGVHFLDKSCUBY-NSHDSACASA-N 1 3 232.318 2.093 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)Cc1ccncc1 ZINC001256717032 970933255 /nfs/dbraw/zinc/93/32/55/970933255.db2.gz XZJBGPXJWBWOEL-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1ccncc1 ZINC001256717032 970933259 /nfs/dbraw/zinc/93/32/59/970933259.db2.gz XZJBGPXJWBWOEL-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CC(C)[N@H+](CCCN)[C@H](C)Cc1ccncc1 ZINC001256718421 970936729 /nfs/dbraw/zinc/93/67/29/970936729.db2.gz IPJVXKSDKPNBMT-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@H](C)Cc1ccncc1 ZINC001256718421 970936738 /nfs/dbraw/zinc/93/67/38/970936738.db2.gz IPJVXKSDKPNBMT-CYBMUJFWSA-N 1 3 235.375 2.072 20 0 BEADHO CC(C)(C[NH3+])N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256787708 970987103 /nfs/dbraw/zinc/98/71/03/970987103.db2.gz WQHMXFWNNFIMJG-UONOGXRCSA-N 1 3 248.370 2.234 20 0 BEADHO CC[C@H]1CN(CCCCCCC[NH3+])[C@H](C)CO1 ZINC000403915624 971088028 /nfs/dbraw/zinc/08/80/28/971088028.db2.gz OPDNKBAPYNHXIM-KGLIPLIRSA-N 1 3 242.407 2.395 20 0 BEADHO CC(C)N1CCC([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001257223951 971131892 /nfs/dbraw/zinc/13/18/92/971131892.db2.gz JWFMHKOSVOWKSM-OCCSQVGLSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)N1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001257223951 971131895 /nfs/dbraw/zinc/13/18/95/971131895.db2.gz JWFMHKOSVOWKSM-OCCSQVGLSA-N 1 3 222.376 2.344 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCCc2cccc(F)c2)C12CCC2 ZINC000405234158 971212655 /nfs/dbraw/zinc/21/26/55/971212655.db2.gz RZSFDTJANNSJGO-UONOGXRCSA-N 1 3 248.345 2.228 20 0 BEADHO [NH3+][C@H]1C[C@@H](NC2Cc3ccccc3C2)C12CCC2 ZINC000405238171 971213119 /nfs/dbraw/zinc/21/31/19/971213119.db2.gz GFEBWCCTDGOVFR-LSDHHAIUSA-N 1 3 242.366 2.013 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC2Cc3ccccc3C2)C12CCC2 ZINC000405238168 971213554 /nfs/dbraw/zinc/21/35/54/971213554.db2.gz GFEBWCCTDGOVFR-CABCVRRESA-N 1 3 242.366 2.013 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCC2(F)F)C12CCC2 ZINC000405270627 971221652 /nfs/dbraw/zinc/22/16/52/971221652.db2.gz RQJKQKKEAQDXQN-AXFHLTTASA-N 1 3 244.329 2.281 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCC2(F)F)C12CCC2 ZINC000405270629 971222457 /nfs/dbraw/zinc/22/24/57/971222457.db2.gz RQJKQKKEAQDXQN-GMTAPVOTSA-N 1 3 244.329 2.281 20 0 BEADHO CCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257321130 971222751 /nfs/dbraw/zinc/22/27/51/971222751.db2.gz YRIZVRAFIVSCAM-XQQFMLRXSA-N 1 3 210.365 2.059 20 0 BEADHO CCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001257321130 971222760 /nfs/dbraw/zinc/22/27/60/971222760.db2.gz YRIZVRAFIVSCAM-XQQFMLRXSA-N 1 3 210.365 2.059 20 0 BEADHO [NH3+]CCCCCCO[C@@H]1CNCc2ccccc21 ZINC001217940955 1169547511 /nfs/dbraw/zinc/54/75/11/1169547511.db2.gz MQCCXXXWWZWVIO-OAHLLOKOSA-N 1 3 248.370 2.367 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218027898 971576218 /nfs/dbraw/zinc/57/62/18/971576218.db2.gz BHIJZWQXCLRKKY-FZMZJTMJSA-N 1 3 246.354 2.057 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170724410 971655850 /nfs/dbraw/zinc/65/58/50/971655850.db2.gz JIVZODBRRWHDKH-SYQHCUMBSA-N 1 3 236.403 2.495 20 0 BEADHO CCCCN(C)CCC[NH2+][C@H]1CCCOCC1 ZINC001170775746 971799885 /nfs/dbraw/zinc/79/98/85/971799885.db2.gz LSTIWFAZXZWPRF-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO CN(C)Cc1cc(F)cc(C[N@H+](C)C2CC2)c1 ZINC001232144897 1169682390 /nfs/dbraw/zinc/68/23/90/1169682390.db2.gz NKTMXUBVJFOLPO-UHFFFAOYSA-N 1 3 236.334 2.482 20 0 BEADHO CN(C)Cc1cc(F)cc(C[N@@H+](C)C2CC2)c1 ZINC001232144897 1169682395 /nfs/dbraw/zinc/68/23/95/1169682395.db2.gz NKTMXUBVJFOLPO-UHFFFAOYSA-N 1 3 236.334 2.482 20 0 BEADHO CC1=Cc2cccc(N[C@@H](N)CCC[NH3+])c2C1 ZINC001170899710 972057606 /nfs/dbraw/zinc/05/76/06/972057606.db2.gz DQQWBKWRINZQHR-CQSZACIVSA-N 1 3 231.343 2.082 20 0 BEADHO CC1=Cc2cccc(N[C@H](N)CCC[NH3+])c2C1 ZINC001170899708 972061133 /nfs/dbraw/zinc/06/11/33/972061133.db2.gz DQQWBKWRINZQHR-AWEZNQCLSA-N 1 3 231.343 2.082 20 0 BEADHO CSc1cc(N[C@@H](N)CCC[NH3+])ccc1C ZINC001170903259 972075003 /nfs/dbraw/zinc/07/50/03/972075003.db2.gz ISCCFYUJHFPYBC-GFCCVEGCSA-N 1 3 239.388 2.153 20 0 BEADHO CCCCc1cccc(N[C@@H](N)CCC[NH3+])c1 ZINC001170902499 972077774 /nfs/dbraw/zinc/07/77/74/972077774.db2.gz DTCPWNFPVXVUTL-CQSZACIVSA-N 1 3 235.375 2.465 20 0 BEADHO CCC1CCC([NH2+][C@@H]2CCN[C@@H]2C)CC1 ZINC001246113601 972177924 /nfs/dbraw/zinc/17/79/24/972177924.db2.gz XBRAITDNHKIJHN-IKWCTNDRSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@H](NC2(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246187048 972211414 /nfs/dbraw/zinc/21/14/14/972211414.db2.gz FPYQQIHGEMKXTG-UKRRQHHQSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC2)CCN1 ZINC001246187048 972211418 /nfs/dbraw/zinc/21/14/18/972211418.db2.gz FPYQQIHGEMKXTG-UKRRQHHQSA-N 1 3 244.382 2.492 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CC(C)(C)C1 ZINC001246190717 972213370 /nfs/dbraw/zinc/21/33/70/972213370.db2.gz RRESNSRJXWDVKA-WISYIIOYSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H]1CC[C@H](NCCCCc2ccccn2)C[NH2+]1 ZINC001246241037 972244093 /nfs/dbraw/zinc/24/40/93/972244093.db2.gz VFJIUMHJNVGKQC-HIFRSBDPSA-N 1 3 247.386 2.134 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1CCc2cc(F)ccc2C1 ZINC001246313813 972276110 /nfs/dbraw/zinc/27/61/10/972276110.db2.gz LNXWBDBAUSOIIT-UONOGXRCSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@H](COc1ccccc1)[NH2+][C@H]1CC[C@H](C)NC1 ZINC001246330167 972291708 /nfs/dbraw/zinc/29/17/08/972291708.db2.gz VIBAUWQBPMLJGY-MJBXVCDLSA-N 1 3 248.370 2.184 20 0 BEADHO C[C@H](COc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001246330164 972292327 /nfs/dbraw/zinc/29/23/27/972292327.db2.gz VIBAUWQBPMLJGY-MGPQQGTHSA-N 1 3 248.370 2.184 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CC(F)(F)C3)CCN1 ZINC001246336303 972297597 /nfs/dbraw/zinc/29/75/97/972297597.db2.gz UNWIFSUPZWPXDQ-UWVGGRQHSA-N 1 3 244.329 2.294 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000723122322 958161510 /nfs/dbraw/zinc/16/15/10/958161510.db2.gz OPFPFUQLTAPWHT-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000723122322 958161503 /nfs/dbraw/zinc/16/15/03/958161503.db2.gz OPFPFUQLTAPWHT-NDBYEHHHSA-N 1 3 210.365 2.092 20 0 BEADHO CCC1CCC([NH2+][C@H]2C[C@@](C)(N)C2)CC1 ZINC001246460430 972332599 /nfs/dbraw/zinc/33/25/99/972332599.db2.gz MSGLQUBYQVMYFT-BPNZPQAUSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@]1([NH2+][C@@H]2CCC[C@@H](C)C2)CCNC1 ZINC001246461877 972336138 /nfs/dbraw/zinc/33/61/38/972336138.db2.gz QHBGXPVPTHBTDF-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246466027 972339910 /nfs/dbraw/zinc/33/99/10/972339910.db2.gz KEHXUSNSDMBCCS-YNEHKIRRSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+]C[C@H]1CN(CCC2CCCC2)CCC1(F)F ZINC000403285771 958441143 /nfs/dbraw/zinc/44/11/43/958441143.db2.gz QXPQDCJGLSBYJT-LBPRGKRZSA-N 1 3 246.345 2.483 20 0 BEADHO CCOC(C)(C)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237549 972415955 /nfs/dbraw/zinc/41/59/55/972415955.db2.gz MORCLMZKLURTQM-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO CCOC(C)(C)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237549 972415961 /nfs/dbraw/zinc/41/59/61/972415961.db2.gz MORCLMZKLURTQM-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@]1(N)CC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531414 972441132 /nfs/dbraw/zinc/44/11/32/972441132.db2.gz QTAPJHHCVRXFHZ-CABCVRRESA-N 1 3 248.345 2.106 20 0 BEADHO C[C@]1(N)CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531414 972441136 /nfs/dbraw/zinc/44/11/36/972441136.db2.gz QTAPJHHCVRXFHZ-CABCVRRESA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@]1(N)CC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531417 972441589 /nfs/dbraw/zinc/44/15/89/972441589.db2.gz QTAPJHHCVRXFHZ-LSDHHAIUSA-N 1 3 248.345 2.106 20 0 BEADHO C[C@@]1(N)CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001246531417 972441590 /nfs/dbraw/zinc/44/15/90/972441590.db2.gz QTAPJHHCVRXFHZ-LSDHHAIUSA-N 1 3 248.345 2.106 20 0 BEADHO CCC1CCC([N@@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC000708884952 960076911 /nfs/dbraw/zinc/07/69/11/960076911.db2.gz BIAWHVXJZMKCBT-RJZJGCCBSA-N 1 3 224.392 2.482 20 0 BEADHO CCC1CCC([N@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC000708884952 960076923 /nfs/dbraw/zinc/07/69/23/960076923.db2.gz BIAWHVXJZMKCBT-RJZJGCCBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000709525824 960634285 /nfs/dbraw/zinc/63/42/85/960634285.db2.gz RTKRSYRGDVFZRW-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCCC(C)(C)C1 ZINC000709525824 960634296 /nfs/dbraw/zinc/63/42/96/960634296.db2.gz RTKRSYRGDVFZRW-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167892142 961494022 /nfs/dbraw/zinc/49/40/22/961494022.db2.gz SGDFNOSBZBIKKM-ITGUQSILSA-N 1 3 210.365 2.106 20 0 BEADHO c1cc(N2CC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)CC2)ccn1 ZINC001167923760 961989983 /nfs/dbraw/zinc/98/99/83/961989983.db2.gz ITRNCSKUNNVBGT-AGGWBTHJSA-N 1 3 243.354 2.002 20 0 BEADHO c1cc(N2CCN([C@@H]3C[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC001167923760 961990005 /nfs/dbraw/zinc/99/00/05/961990005.db2.gz ITRNCSKUNNVBGT-AGGWBTHJSA-N 1 3 243.354 2.002 20 0 BEADHO C[C@@H]1CC(N2CC3(C2)CCC[NH2+]C3)C[C@@H](C)C1 ZINC000709984811 962208361 /nfs/dbraw/zinc/20/83/61/962208361.db2.gz UHYFDLJYFUMNGF-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC([NH+]2CC3(C2)CCCNC3)C[C@@H](C)C1 ZINC000709984811 962208385 /nfs/dbraw/zinc/20/83/85/962208385.db2.gz UHYFDLJYFUMNGF-STQMWFEESA-N 1 3 236.403 2.497 20 0 BEADHO C[C@]1([NH3+])CCN(C2CCC3(CC3)CC2)C1 ZINC000710149200 962334185 /nfs/dbraw/zinc/33/41/85/962334185.db2.gz IUMGUHNRHCBXIM-LBPRGKRZSA-N 1 3 208.349 2.132 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCN2C)C1 ZINC000710448748 962379232 /nfs/dbraw/zinc/37/92/32/962379232.db2.gz ZTNXAKBDJYQRAY-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982069 963064117 /nfs/dbraw/zinc/06/41/17/963064117.db2.gz VFYHYZVSTNUOAD-PBWFPOADSA-N 1 3 222.376 2.344 20 0 BEADHO CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982069 963064131 /nfs/dbraw/zinc/06/41/31/963064131.db2.gz VFYHYZVSTNUOAD-PBWFPOADSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N(C)C)CCO1 ZINC000697824946 964549200 /nfs/dbraw/zinc/54/92/00/964549200.db2.gz DKGLEQFJOPLZNX-MCIONIFRSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CCCSCC1)N(C)C ZINC000697846251 964565804 /nfs/dbraw/zinc/56/58/04/964565804.db2.gz BZIIGUOBLCEKMP-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO C[NH+](C)CCCCNc1c[nH]cc2ccnc1-2 ZINC001161731226 964719198 /nfs/dbraw/zinc/71/91/98/964719198.db2.gz VUSFVINVXFXNPN-UHFFFAOYSA-N 1 3 232.331 2.317 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](Nc2c[nH]cc3ccnc2-3)C1 ZINC001162396449 964956830 /nfs/dbraw/zinc/95/68/30/964956830.db2.gz JJMOZTVQHVQLDO-WDEREUQCSA-N 1 3 230.315 2.245 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](Nc2cncc3cc[nH]c32)C1 ZINC001162396449 964956835 /nfs/dbraw/zinc/95/68/35/964956835.db2.gz JJMOZTVQHVQLDO-WDEREUQCSA-N 1 3 230.315 2.245 20 0 BEADHO [NH3+][C@H]1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001205094728 965728214 /nfs/dbraw/zinc/72/82/14/965728214.db2.gz OTRFWOZKQWFRKW-AWEZNQCLSA-N 1 3 243.354 2.481 20 0 BEADHO COc1ccc(CN2CCC[C@H]([NH3+])CC2)c(C)c1 ZINC001205109695 965829147 /nfs/dbraw/zinc/82/91/47/965829147.db2.gz JLCMMIJMZAXLED-AWEZNQCLSA-N 1 3 248.370 2.317 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC001236167812 966278637 /nfs/dbraw/zinc/27/86/37/966278637.db2.gz GDFLUISZPKARDL-YNEHKIRRSA-N 1 3 208.349 2.012 20 0 BEADHO CC1=C[C@H](C)[C@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC001236167788 966279763 /nfs/dbraw/zinc/27/97/63/966279763.db2.gz GDFLUISZPKARDL-AVGNSLFASA-N 1 3 208.349 2.012 20 0 BEADHO CC/C=C\CCN1CCC[C@@H](C[NH2+]C)C1 ZINC001205000297 967281291 /nfs/dbraw/zinc/28/12/91/967281291.db2.gz CSTVJVWPKFKXFU-ZFDPJTLLSA-N 1 3 210.365 2.274 20 0 BEADHO [NH3+]CC1CCN(Cc2cncc(C3CC3)c2)CC1 ZINC001205058225 967311923 /nfs/dbraw/zinc/31/19/23/967311923.db2.gz HCTRCYBUCSDGQB-UHFFFAOYSA-N 1 3 245.370 2.130 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@@H+]1Cc1cccc2c1ccn2C ZINC001205182601 967409430 /nfs/dbraw/zinc/40/94/30/967409430.db2.gz CCPCDLVNIJWXRZ-BXUZGUMPSA-N 1 3 243.354 2.100 20 0 BEADHO C[C@@H]1[C@H](N)CC[N@H+]1Cc1cccc2c1ccn2C ZINC001205182601 967409437 /nfs/dbraw/zinc/40/94/37/967409437.db2.gz CCPCDLVNIJWXRZ-BXUZGUMPSA-N 1 3 243.354 2.100 20 0 BEADHO C[C@@]1([NH3+])CCCN(Cc2cccs2)CC1 ZINC001205263860 967455199 /nfs/dbraw/zinc/45/51/99/967455199.db2.gz CXJBDKBLTCVSBV-GFCCVEGCSA-N 1 3 224.373 2.451 20 0 BEADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cs1 ZINC001206214221 968148383 /nfs/dbraw/zinc/14/83/83/968148383.db2.gz XWTCNWDLLMULDH-VXGBXAGGSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cs1 ZINC001206214221 968148389 /nfs/dbraw/zinc/14/83/89/968148389.db2.gz XWTCNWDLLMULDH-VXGBXAGGSA-N 1 3 242.363 2.318 20 0 BEADHO NCC12CC(C1)C[N@@H+]2Cc1ccccc1C1CC1 ZINC001118506720 968171162 /nfs/dbraw/zinc/17/11/62/968171162.db2.gz POGZBSOFGGUVHH-UHFFFAOYSA-N 1 3 242.366 2.487 20 0 BEADHO NCC12CC(C1)C[N@H+]2Cc1ccccc1C1CC1 ZINC001118506720 968171166 /nfs/dbraw/zinc/17/11/66/968171166.db2.gz POGZBSOFGGUVHH-UHFFFAOYSA-N 1 3 242.366 2.487 20 0 BEADHO CN(C)CC(C)(C)C[NH+]1CC2(CCC2)C1 ZINC001207278695 968711615 /nfs/dbraw/zinc/71/16/15/968711615.db2.gz BONMCXDYRFQGCR-UHFFFAOYSA-N 1 3 210.365 2.060 20 0 BEADHO C[NH+]1CCC(CN2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001207395044 968751591 /nfs/dbraw/zinc/75/15/91/968751591.db2.gz OJXSXWNQMFYGCH-QWHCGFSZSA-N 1 3 246.345 2.100 20 0 BEADHO C[C@@H]1C[C@@H](F)CN1CCC1CC[NH+](C)CC1 ZINC001207479389 968795464 /nfs/dbraw/zinc/79/54/64/968795464.db2.gz HLZQUQPSZITANX-DGCLKSJQSA-N 1 3 228.355 2.151 20 0 BEADHO CN(C)CCC[N@H+](C)CCc1ccccc1F ZINC001207497571 968808091 /nfs/dbraw/zinc/80/80/91/968808091.db2.gz RTKQZTDLJUZDQP-UHFFFAOYSA-N 1 3 238.350 2.252 20 0 BEADHO CN(C)CCC[N@@H+](C)CCc1ccccc1F ZINC001207497571 968808097 /nfs/dbraw/zinc/80/80/97/968808097.db2.gz RTKQZTDLJUZDQP-UHFFFAOYSA-N 1 3 238.350 2.252 20 0 BEADHO C[C@H](CC[NH2+]C1Cc2ccccc2C1)N(C)C ZINC000829318859 968827689 /nfs/dbraw/zinc/82/76/89/968827689.db2.gz AHXPXWIWEFSRKN-GFCCVEGCSA-N 1 3 232.371 2.084 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCC[C@H]1CCO1 ZINC001207858098 968893310 /nfs/dbraw/zinc/89/33/10/968893310.db2.gz DIQZRZORESEGGJ-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CC3(C)CCCC3)[C@H]2C1 ZINC001207843942 968898674 /nfs/dbraw/zinc/89/86/74/968898674.db2.gz JBODQXVWOWPHTJ-MELADBBJSA-N 1 3 236.403 2.497 20 0 BEADHO Nc1nc2cc(-c3ccc(C[NH3+])cc3)ccc2[nH]1 ZINC001241913614 969144257 /nfs/dbraw/zinc/14/42/57/969144257.db2.gz DHIBLOOGUOTBJP-UHFFFAOYSA-N 1 3 238.294 2.271 20 0 BEADHO Nc1nc2ccc(-c3ccc(C[NH3+])cc3)cc2[nH]1 ZINC001241913614 969144263 /nfs/dbraw/zinc/14/42/63/969144263.db2.gz DHIBLOOGUOTBJP-UHFFFAOYSA-N 1 3 238.294 2.271 20 0 BEADHO CC[C@@H](C)C[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404929 969159732 /nfs/dbraw/zinc/15/97/32/969159732.db2.gz KEBGYXXMWIKAPH-UPJWGTAASA-N 1 3 244.423 2.150 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH+]1CCC(N(C)C2CC2)CC1 ZINC001209433836 969502588 /nfs/dbraw/zinc/50/25/88/969502588.db2.gz VQRQYBYNZJRPJN-VXGBXAGGSA-N 1 3 222.376 2.201 20 0 BEADHO CC[NH+]1CCC(NCCc2ccccc2O)CC1 ZINC001169229617 969504129 /nfs/dbraw/zinc/50/41/29/969504129.db2.gz FJBCNRRQHYEYGK-UHFFFAOYSA-N 1 3 248.370 2.009 20 0 BEADHO CCC[C@@H](CCc1ccccc1)N[C@@H]1C[C@H]1[NH3+] ZINC001254488405 969655542 /nfs/dbraw/zinc/65/55/42/969655542.db2.gz VMYCLMGQPYDMMT-RRFJBIMHSA-N 1 3 232.371 2.477 20 0 BEADHO Cc1cccc(C[N@@H+]2CCN[C@H](C)CC2)c1C ZINC001210474644 969899869 /nfs/dbraw/zinc/89/98/69/969899869.db2.gz HPBXFZIOXJCNHE-CYBMUJFWSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@H+]2CCN[C@H](C)CC2)c1C ZINC001210474644 969899871 /nfs/dbraw/zinc/89/98/71/969899871.db2.gz HPBXFZIOXJCNHE-CYBMUJFWSA-N 1 3 232.371 2.487 20 0 BEADHO C[N@@H+]1CCC[C@H](n2c(CN)cc3ccccc32)C1 ZINC001255467416 970193872 /nfs/dbraw/zinc/19/38/72/970193872.db2.gz CGTLOGDIMPCANC-ZDUSSCGKSA-N 1 3 243.354 2.367 20 0 BEADHO C[N@H+]1CCC[C@H](n2c(CN)cc3ccccc32)C1 ZINC001255467416 970193877 /nfs/dbraw/zinc/19/38/77/970193877.db2.gz CGTLOGDIMPCANC-ZDUSSCGKSA-N 1 3 243.354 2.367 20 0 BEADHO Fc1ccc(C2=CC[NH2+]C2)cc1CN1CCCC1 ZINC001243116080 970369426 /nfs/dbraw/zinc/36/94/26/970369426.db2.gz QTQJIHPSVWEQOX-UHFFFAOYSA-N 1 3 246.329 2.408 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CC3CCC2CC3)CC[C@H]1N ZINC000400098112 970552477 /nfs/dbraw/zinc/55/24/77/970552477.db2.gz FFSDZUGPNASAHM-NNZPWHBESA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CC3CCC2CC3)CC[C@H]1N ZINC000400098112 970552485 /nfs/dbraw/zinc/55/24/85/970552485.db2.gz FFSDZUGPNASAHM-NNZPWHBESA-N 1 3 236.403 2.482 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCCc1ccccn1 ZINC001255940298 970571992 /nfs/dbraw/zinc/57/19/92/970571992.db2.gz WCPTYEFYRJHKPJ-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](C)C1CCOCC1 ZINC001255955473 970591131 /nfs/dbraw/zinc/59/11/31/970591131.db2.gz UPYIFKPJROSQPI-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](C)C1CCOCC1 ZINC001255955473 970591134 /nfs/dbraw/zinc/59/11/34/970591134.db2.gz UPYIFKPJROSQPI-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)CCO1 ZINC001170194533 970591491 /nfs/dbraw/zinc/59/14/91/970591491.db2.gz IBFMCKUADTZBME-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)CCO1 ZINC001170194532 970593407 /nfs/dbraw/zinc/59/34/07/970593407.db2.gz IBFMCKUADTZBME-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CN1CC(CNc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001170253928 970661179 /nfs/dbraw/zinc/66/11/79/970661179.db2.gz FJWYTDHXYJXYCB-OAHLLOKOSA-N 1 3 245.370 2.085 20 0 BEADHO C[NH+]1CCC(NC(C)(C)c2cccnc2)CC1 ZINC001256194993 970692618 /nfs/dbraw/zinc/69/26/18/970692618.db2.gz TWMMXPMTGRLIJK-UHFFFAOYSA-N 1 3 233.359 2.001 20 0 BEADHO C[NH+]1CCC(NCc2cccc3ncoc32)CC1 ZINC001256200059 970694940 /nfs/dbraw/zinc/69/49/40/970694940.db2.gz KTVMIKTZESGIDB-UHFFFAOYSA-N 1 3 245.326 2.012 20 0 BEADHO C[NH+]1CCC(N[C@@H]2CCc3sccc32)CC1 ZINC001256201358 970696166 /nfs/dbraw/zinc/69/61/66/970696166.db2.gz HMWBFWQEDAATDS-GFCCVEGCSA-N 1 3 236.384 2.419 20 0 BEADHO C[NH+]1CCC(N2CCC[C@H]3CCC[C@H]32)CC1 ZINC001256209566 970710908 /nfs/dbraw/zinc/71/09/08/970710908.db2.gz YKTPXKSSEMJLBB-TZMCWYRMSA-N 1 3 222.376 2.345 20 0 BEADHO C[NH+]1CCC(N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001256209560 970715016 /nfs/dbraw/zinc/71/50/16/970715016.db2.gz YKTPXKSSEMJLBB-GXTWGEPZSA-N 1 3 222.376 2.345 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CCC[C@H](N)CC3)C[C@@H]21 ZINC001246543052 972592192 /nfs/dbraw/zinc/59/21/92/972592192.db2.gz RTNFVVZKGHKUHD-ZDEQEGDKSA-N 1 3 222.376 2.234 20 0 BEADHO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H](N)CC3)C[C@@H]21 ZINC001246543052 972592198 /nfs/dbraw/zinc/59/21/98/972592198.db2.gz RTNFVVZKGHKUHD-ZDEQEGDKSA-N 1 3 222.376 2.234 20 0 BEADHO CSC(C)(C)C[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552617 972738537 /nfs/dbraw/zinc/73/85/37/972738537.db2.gz YOTUGUAPXNREHX-HBNTYKKESA-N 1 3 230.421 2.328 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666658 973076062 /nfs/dbraw/zinc/07/60/62/973076062.db2.gz WVMYHYMFPFBHBB-XGFWRYKXSA-N 1 3 224.392 2.336 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246666658 973076075 /nfs/dbraw/zinc/07/60/75/973076075.db2.gz WVMYHYMFPFBHBB-XGFWRYKXSA-N 1 3 224.392 2.336 20 0 BEADHO CCc1ccc(C[C@H](C)N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001246661454 973078373 /nfs/dbraw/zinc/07/83/73/973078373.db2.gz XPUHYORMDQDULT-DANNLKNASA-N 1 3 244.382 2.069 20 0 BEADHO COC(C)(C)[C@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246811814 973111769 /nfs/dbraw/zinc/11/17/69/973111769.db2.gz XMXHUXTUYZPDAC-FRRDWIJNSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246811814 973111789 /nfs/dbraw/zinc/11/17/89/973111789.db2.gz XMXHUXTUYZPDAC-FRRDWIJNSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[C@H]([NH3+])CCNCc1cccc2c[nH]nc21 ZINC001328508244 973119260 /nfs/dbraw/zinc/11/92/60/973119260.db2.gz XDCZJZRQKFNOMI-CYBMUJFWSA-N 1 3 246.358 2.026 20 0 BEADHO CC1(C)CCC[C@H]([N@@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001246848429 973154518 /nfs/dbraw/zinc/15/45/18/973154518.db2.gz VIAJSSHAJFGBNE-RDBSUJKOSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC[C@H]([N@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001246848429 973154527 /nfs/dbraw/zinc/15/45/27/973154527.db2.gz VIAJSSHAJFGBNE-RDBSUJKOSA-N 1 3 236.403 2.497 20 0 BEADHO N[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001328679731 973269661 /nfs/dbraw/zinc/26/96/61/973269661.db2.gz ABZPTGIOQRKCBP-OAHLLOKOSA-N 1 3 230.355 2.002 20 0 BEADHO Cn1cccc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172101449 974329667 /nfs/dbraw/zinc/32/96/67/974329667.db2.gz YIQBFGYPKAJADH-BTTYYORXSA-N 1 3 247.386 2.130 20 0 BEADHO Cn1cccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172101449 974329671 /nfs/dbraw/zinc/32/96/71/974329671.db2.gz YIQBFGYPKAJADH-BTTYYORXSA-N 1 3 247.386 2.130 20 0 BEADHO Cn1cccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172101449 974329688 /nfs/dbraw/zinc/32/96/88/974329688.db2.gz YIQBFGYPKAJADH-BTTYYORXSA-N 1 3 247.386 2.130 20 0 BEADHO Cc1ccccc1CN1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156392 974335830 /nfs/dbraw/zinc/33/58/30/974335830.db2.gz QMNIKRVMJWIZPQ-KGLIPLIRSA-N 1 3 236.334 2.256 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](F)C1)C2 ZINC001172120900 974387796 /nfs/dbraw/zinc/38/77/96/974387796.db2.gz GZWXUWAHQONBCM-IGQOVBAYSA-N 1 3 240.366 2.436 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](F)C1)C2 ZINC001172120900 974387809 /nfs/dbraw/zinc/38/78/09/974387809.db2.gz GZWXUWAHQONBCM-IGQOVBAYSA-N 1 3 240.366 2.436 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+][C@H]1CSc2ccccc2C1 ZINC001172192087 974399716 /nfs/dbraw/zinc/39/97/16/974399716.db2.gz BHSXFAUFMKDYSQ-FRRDWIJNSA-N 1 3 248.395 2.173 20 0 BEADHO CCC[N@H+](CCCN)[C@H](C)CCOCC(C)C ZINC001172458278 974824052 /nfs/dbraw/zinc/82/40/52/974824052.db2.gz XOCGIRPIKSRLGD-CQSZACIVSA-N 1 3 244.423 2.498 20 0 BEADHO CCC[N@@H+](CCCN)[C@H](C)CCOCC(C)C ZINC001172458278 974824055 /nfs/dbraw/zinc/82/40/55/974824055.db2.gz XOCGIRPIKSRLGD-CQSZACIVSA-N 1 3 244.423 2.498 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@H](CN)C1 ZINC001173251037 975088472 /nfs/dbraw/zinc/08/84/72/975088472.db2.gz YDRWUODHYCFCPD-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@H](CN)C1 ZINC001173251037 975088479 /nfs/dbraw/zinc/08/84/79/975088479.db2.gz YDRWUODHYCFCPD-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@@H+]1CCO[C@@H](CN)C1 ZINC001173251035 975088911 /nfs/dbraw/zinc/08/89/11/975088911.db2.gz YDRWUODHYCFCPD-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](CN)C1 ZINC001173251035 975088915 /nfs/dbraw/zinc/08/89/15/975088915.db2.gz YDRWUODHYCFCPD-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H](C[NH+](C)C)Oc1ccccc1CN(C)C ZINC001229699417 976947691 /nfs/dbraw/zinc/94/76/91/976947691.db2.gz NJZVIHMYHHKJDS-LBPRGKRZSA-N 1 3 236.359 2.077 20 0 BEADHO CC(C)[N@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232011944 977841083 /nfs/dbraw/zinc/84/10/83/977841083.db2.gz QEJNEZNWAQUWNG-UHFFFAOYSA-N 1 3 203.289 2.403 20 0 BEADHO CC(C)[N@@H+](C)Cc1cc2cnccc2[nH]1 ZINC001232011944 977841086 /nfs/dbraw/zinc/84/10/86/977841086.db2.gz QEJNEZNWAQUWNG-UHFFFAOYSA-N 1 3 203.289 2.403 20 0 BEADHO COC[C@@H]1CC[N@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232010784 977841624 /nfs/dbraw/zinc/84/16/24/977841624.db2.gz AOQISHDFUCFCEV-LLVKDONJSA-N 1 3 245.326 2.031 20 0 BEADHO COC[C@@H]1CC[N@@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232010784 977841626 /nfs/dbraw/zinc/84/16/26/977841626.db2.gz AOQISHDFUCFCEV-LLVKDONJSA-N 1 3 245.326 2.031 20 0 BEADHO CC[N@H+](Cc1cc2cnccc2[nH]1)CC(C)(C)O ZINC001232015182 977844044 /nfs/dbraw/zinc/84/40/44/977844044.db2.gz CHPGYFDJWQMFNI-UHFFFAOYSA-N 1 3 247.342 2.156 20 0 BEADHO CC[N@@H+](Cc1cc2cnccc2[nH]1)CC(C)(C)O ZINC001232015182 977844045 /nfs/dbraw/zinc/84/40/45/977844045.db2.gz CHPGYFDJWQMFNI-UHFFFAOYSA-N 1 3 247.342 2.156 20 0 BEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccncc1 ZINC001336908698 978049613 /nfs/dbraw/zinc/04/96/13/978049613.db2.gz GVRINRUBFFVBER-JSGCOSHPSA-N 1 3 231.343 2.145 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)c1 ZINC001179818655 978761258 /nfs/dbraw/zinc/76/12/58/978761258.db2.gz ZFHBCDFYJIVSTM-OWCLPIDISA-N 1 3 244.382 2.425 20 0 BEADHO C[C@H](CCN1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235211542 979000520 /nfs/dbraw/zinc/00/05/20/979000520.db2.gz XLWWUBYWJDUQTE-NDBYEHHHSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H](CCN1C[C@@H]2[C@H]([NH3+])[C@@H]2C1)CC(C)(C)C ZINC001235284473 979017458 /nfs/dbraw/zinc/01/74/58/979017458.db2.gz XLWWUBYWJDUQTE-FVCCEPFGSA-N 1 3 224.392 2.338 20 0 BEADHO CCC[C@@H](C)CN1CCCC2(C[NH2+]C2)C1 ZINC001235710845 979131176 /nfs/dbraw/zinc/13/11/76/979131176.db2.gz HVEMWOQZNXPAGB-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CCCC2(CNC2)C1 ZINC001235710845 979131167 /nfs/dbraw/zinc/13/11/67/979131167.db2.gz HVEMWOQZNXPAGB-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CCCC2(CNC2)C1 ZINC001235710845 979131174 /nfs/dbraw/zinc/13/11/74/979131174.db2.gz HVEMWOQZNXPAGB-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO CCc1ccccc1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235959610 979229058 /nfs/dbraw/zinc/22/90/58/979229058.db2.gz LOTJBQVVOMXAGG-MUJYYYPQSA-N 1 3 244.382 2.418 20 0 BEADHO N[C@]12CC[C@@H]1C[N@H+](Cc1cccc3ccoc31)C2 ZINC001235984204 979266960 /nfs/dbraw/zinc/26/69/60/979266960.db2.gz BCWJNGQVQUJSEO-HIFRSBDPSA-N 1 3 242.322 2.356 20 0 BEADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235984204 979266969 /nfs/dbraw/zinc/26/69/69/979266969.db2.gz BCWJNGQVQUJSEO-HIFRSBDPSA-N 1 3 242.322 2.356 20 0 BEADHO CCCCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236006289 979294302 /nfs/dbraw/zinc/29/43/02/979294302.db2.gz OJVUWKBLYBKJPI-CVEARBPZSA-N 1 3 244.382 2.260 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060422 979353596 /nfs/dbraw/zinc/35/35/96/979353596.db2.gz QDVLEQTXOQYKFW-AVGNSLFASA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)NC2 ZINC001236060422 979353608 /nfs/dbraw/zinc/35/36/08/979353608.db2.gz QDVLEQTXOQYKFW-AVGNSLFASA-N 1 3 210.365 2.106 20 0 BEADHO CNc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2N)cc1 ZINC001236218336 979455151 /nfs/dbraw/zinc/45/51/51/979455151.db2.gz SDEVTIORHRFACZ-CABCVRRESA-N 1 3 247.386 2.430 20 0 BEADHO CNc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2N)cc1 ZINC001236218336 979455155 /nfs/dbraw/zinc/45/51/55/979455155.db2.gz SDEVTIORHRFACZ-CABCVRRESA-N 1 3 247.386 2.430 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)[C@H]2C1 ZINC001184388517 980063151 /nfs/dbraw/zinc/06/31/51/980063151.db2.gz RBCSLZRMNBMZNS-LGFJLYTPSA-N 1 3 248.414 2.352 20 0 BEADHO NC[C@H]1CCC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691663196 980382201 /nfs/dbraw/zinc/38/22/01/980382201.db2.gz RRXRKPZOKDRZIB-HXSCFSKGSA-N 1 3 236.403 2.483 20 0 BEADHO NC[C@H]1CCC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691663196 980382205 /nfs/dbraw/zinc/38/22/05/980382205.db2.gz RRXRKPZOKDRZIB-HXSCFSKGSA-N 1 3 236.403 2.483 20 0 BEADHO NC[C@H]1CCC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691663200 980383382 /nfs/dbraw/zinc/38/33/82/980383382.db2.gz RRXRKPZOKDRZIB-JYVUQVBGSA-N 1 3 236.403 2.483 20 0 BEADHO NC[C@H]1CCC[N@@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000691663200 980383388 /nfs/dbraw/zinc/38/33/88/980383388.db2.gz RRXRKPZOKDRZIB-JYVUQVBGSA-N 1 3 236.403 2.483 20 0 BEADHO CN1CCc2ccc(C3=CCC[NH2+]CC3)cc2C1 ZINC001238951554 980388432 /nfs/dbraw/zinc/38/84/32/980388432.db2.gz WIILDRHNPSSVBO-UHFFFAOYSA-N 1 3 242.366 2.441 20 0 BEADHO C[NH2+][C@H](C)CCNCCc1ccc(F)cc1F ZINC001345103465 980549707 /nfs/dbraw/zinc/54/97/07/980549707.db2.gz FTGTXSKSUHDADF-SNVBAGLBSA-N 1 3 242.313 2.095 20 0 BEADHO c1cc(C2=CC[NH2+]CC2)ccc1CN1CCC1 ZINC001240469303 981405545 /nfs/dbraw/zinc/40/55/45/981405545.db2.gz SSQIXHJWHFECNA-UHFFFAOYSA-N 1 3 228.339 2.269 20 0 BEADHO c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC001580895171 981725992 /nfs/dbraw/zinc/72/59/92/981725992.db2.gz FFTUGPSODQRQTR-XFIYOXNOSA-N 1 3 242.366 2.273 20 0 BEADHO C(c1cc(N2CCCC2)ccn1)=C1CC[NH2+]CC1 ZINC001240874071 981915939 /nfs/dbraw/zinc/91/59/39/981915939.db2.gz OXJYABHJNLOWTJ-UHFFFAOYSA-N 1 3 243.354 2.449 20 0 BEADHO CN1CC=C(c2cccc(C3([NH3+])CC3)c2)CC1 ZINC001241330036 982492421 /nfs/dbraw/zinc/49/24/21/982492421.db2.gz GJTAKJKVKYKKSP-UHFFFAOYSA-N 1 3 228.339 2.353 20 0 BEADHO CCN1C[C@H](C)N(c2cc[nH+]cc2)C[C@@H]1C ZINC001354019631 983117001 /nfs/dbraw/zinc/11/70/01/983117001.db2.gz UBOVYSZGSRIGEY-RYUDHWBXSA-N 1 3 219.332 2.001 20 0 BEADHO CCN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587735 983349561 /nfs/dbraw/zinc/34/95/61/983349561.db2.gz XFDKMCLDPCNZCF-HZPDHXFCSA-N 1 3 244.382 2.460 20 0 BEADHO CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001201587735 983349565 /nfs/dbraw/zinc/34/95/65/983349565.db2.gz XFDKMCLDPCNZCF-HZPDHXFCSA-N 1 3 244.382 2.460 20 0 BEADHO CC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201586903 983351696 /nfs/dbraw/zinc/35/16/96/983351696.db2.gz WNGVAPXNOWYUDP-STQMWFEESA-N 1 3 210.365 2.345 20 0 BEADHO CC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001201586903 983351704 /nfs/dbraw/zinc/35/17/04/983351704.db2.gz WNGVAPXNOWYUDP-STQMWFEESA-N 1 3 210.365 2.345 20 0 BEADHO CCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201737533 983446805 /nfs/dbraw/zinc/44/68/05/983446805.db2.gz SJZWJEXFBGIPFV-CHWSQXEVSA-N 1 3 210.365 2.060 20 0 BEADHO CCCCCN1CCC([NH+]2CCC2)CC1 ZINC001201744357 983450614 /nfs/dbraw/zinc/45/06/14/983450614.db2.gz JHKXESBCPOKWMT-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO CC(C)CC[C@@H](O)CNCCC[N@H+](C)C(C)C ZINC001356569832 983630585 /nfs/dbraw/zinc/63/05/85/983630585.db2.gz QAIYWEGUIGZRRC-CQSZACIVSA-N 1 3 244.423 2.103 20 0 BEADHO CC(C)CC[C@@H](O)CNCCC[N@@H+](C)C(C)C ZINC001356569832 983630602 /nfs/dbraw/zinc/63/06/02/983630602.db2.gz QAIYWEGUIGZRRC-CQSZACIVSA-N 1 3 244.423 2.103 20 0 BEADHO c1ccc([C@H]2C[C@@H]2NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000149816169 983957571 /nfs/dbraw/zinc/95/75/71/983957571.db2.gz OOUPHCVQCFQHLO-FVPDABNVSA-N 1 3 242.366 2.415 20 0 BEADHO CC(C)[NH2+]CCN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000719345226 984631770 /nfs/dbraw/zinc/63/17/70/984631770.db2.gz HKHXUZSARKWJPA-ITGUQSILSA-N 1 3 212.381 2.399 20 0 BEADHO CO[C@](C)(CN1CCCCC[C@@H]([NH3+])C1)C1CC1 ZINC001578897016 985478566 /nfs/dbraw/zinc/47/85/66/985478566.db2.gz HVOXVDSLPDWEOV-ZIAGYGMSSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H](C)[NH2+]Cc1cc2c(s1)CCNC2 ZINC000688037622 985507999 /nfs/dbraw/zinc/50/79/99/985507999.db2.gz CBXAJTUESJRZSM-SECBINFHSA-N 1 3 224.373 2.282 20 0 BEADHO [NH3+][C@H](CC(F)F)CN1CCC[C@@H]1C1CCC1 ZINC000688242614 985588165 /nfs/dbraw/zinc/58/81/65/985588165.db2.gz VHGDVTZWLSGJEG-GHMZBOCLSA-N 1 3 232.318 2.233 20 0 BEADHO CSCC1CCC([NH2+][C@H]2CCN[C@@H]2C)CC1 ZINC001579371041 985864921 /nfs/dbraw/zinc/86/49/21/985864921.db2.gz VRXSAPYBQMSWOQ-XVSSEFHLSA-N 1 3 242.432 2.248 20 0 BEADHO NC[C@H]1CCCC[N@H+](CCCc2ccncc2)C1 ZINC001206606112 985894221 /nfs/dbraw/zinc/89/42/21/985894221.db2.gz DNSRKESDTJYVOD-OAHLLOKOSA-N 1 3 247.386 2.075 20 0 BEADHO NC[C@H]1CCCC[N@@H+](CCCc2ccncc2)C1 ZINC001206606112 985894224 /nfs/dbraw/zinc/89/42/24/985894224.db2.gz DNSRKESDTJYVOD-OAHLLOKOSA-N 1 3 247.386 2.075 20 0 BEADHO NC[C@@H]1CCCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606786 985935403 /nfs/dbraw/zinc/93/54/03/985935403.db2.gz SKGZWBPAJLSXAK-XQLPTFJDSA-N 1 3 234.387 2.259 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206606786 985935418 /nfs/dbraw/zinc/93/54/18/985935418.db2.gz SKGZWBPAJLSXAK-XQLPTFJDSA-N 1 3 234.387 2.259 20 0 BEADHO Fc1cccc(C2CC([NH2+]C[C@@H]3CCN3)C2)c1 ZINC001580033734 986437042 /nfs/dbraw/zinc/43/70/42/986437042.db2.gz ZSPNHTVFQDGNQN-QRMWWUJWSA-N 1 3 234.318 2.023 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)[C@H]2C1 ZINC001462674642 986504485 /nfs/dbraw/zinc/50/44/85/986504485.db2.gz YXXHIYMLCXKQJR-GVRJEKJASA-N 1 3 248.414 2.495 20 0 BEADHO [NH3+][C@]12CCC[C@H]1CN(CC1CC3(CCC3)C1)C2 ZINC001580158562 986628335 /nfs/dbraw/zinc/62/83/35/986628335.db2.gz SUKBRYOTICYQAQ-ZFWWWQNUSA-N 1 3 234.387 2.380 20 0 BEADHO C[C@@H]1CN([C@@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516815 986653712 /nfs/dbraw/zinc/65/37/12/986653712.db2.gz QAYPYOGYXZBCRG-VXGBXAGGSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@@H]1CN([C@@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516815 986653714 /nfs/dbraw/zinc/65/37/14/986653714.db2.gz QAYPYOGYXZBCRG-VXGBXAGGSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H]1CN([C@@H]2CCC[N@H+](C)CC2)CCC1(F)F ZINC001254516813 986659677 /nfs/dbraw/zinc/65/96/77/986659677.db2.gz QAYPYOGYXZBCRG-NWDGAFQWSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H]1CN([C@@H]2CCC[N@@H+](C)CC2)CCC1(F)F ZINC001254516813 986659683 /nfs/dbraw/zinc/65/96/83/986659683.db2.gz QAYPYOGYXZBCRG-NWDGAFQWSA-N 1 3 246.345 2.448 20 0 BEADHO NCC1(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)CCC1 ZINC001580244136 986693385 /nfs/dbraw/zinc/69/33/85/986693385.db2.gz QJJWZBPNFXVOOX-STQMWFEESA-N 1 3 222.376 2.141 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC001580258257 986714436 /nfs/dbraw/zinc/71/44/36/986714436.db2.gz LGXPSWIIKGJBMB-FAAHXZRKSA-N 1 3 248.345 2.341 20 0 BEADHO [NH3+]CC[C@H]1CCN(Cc2cccn2C(F)F)C1 ZINC001580288355 986731791 /nfs/dbraw/zinc/73/17/91/986731791.db2.gz KBBIJTVEGCXPEP-JTQLQIEISA-N 1 3 243.301 2.054 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC001580423200 986842237 /nfs/dbraw/zinc/84/22/37/986842237.db2.gz UCBQKFMGSPTIOF-CAOSSQGBSA-N 1 3 244.382 2.477 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC001255944787 987076422 /nfs/dbraw/zinc/07/64/22/987076422.db2.gz ZKJGBSHJHYWLJR-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@]12C[C@@H]1CCCC2 ZINC000693563223 987313472 /nfs/dbraw/zinc/31/34/72/987313472.db2.gz AUABHAFMHXPEGN-XDQVBPFNSA-N 1 3 222.376 2.297 20 0 BEADHO CSC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697057576 987346193 /nfs/dbraw/zinc/34/61/93/987346193.db2.gz KWAZJWHEHODNFS-GFCCVEGCSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1SCCN(C[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000697058714 987346703 /nfs/dbraw/zinc/34/67/03/987346703.db2.gz TYRWPJPVOHUGDB-RWMBFGLXSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)C[C@@H](C)S1 ZINC000697059073 987347984 /nfs/dbraw/zinc/34/79/84/987347984.db2.gz WMHVRXFLUFJBDV-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO Fc1cccc2c1CC[C@H]([NH2+]C1CCNCC1)C2 ZINC001246076656 987367285 /nfs/dbraw/zinc/36/72/85/987367285.db2.gz DMWLEXNCEPNMRK-ZDUSSCGKSA-N 1 3 248.345 2.025 20 0 BEADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@@H]3[C@H](C2)C3(C)C)[NH2+]C1 ZINC001246102753 987427289 /nfs/dbraw/zinc/42/72/89/987427289.db2.gz FIBOXGMJDLBSFE-XGFWRYKXSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H]1CNC[C@@H]1[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246108742 987442139 /nfs/dbraw/zinc/44/21/39/987442139.db2.gz MRTLBRBZQWCLME-RVMXOQNASA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)COCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116012 987456152 /nfs/dbraw/zinc/45/61/52/987456152.db2.gz CZHQDIYWQGAGFJ-HZSPNIEDSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H]1CNC[C@H]1[NH2+]C1CCCCCCC1 ZINC001246117668 987460279 /nfs/dbraw/zinc/46/02/79/987460279.db2.gz TUHHJDUKMNMTKT-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CCC1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246136423 987493064 /nfs/dbraw/zinc/49/30/64/987493064.db2.gz XBARPTOHZKKYQJ-BPCQOVAHSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCN[C@H](C)C2)s1 ZINC001246167111 987528758 /nfs/dbraw/zinc/52/87/58/987528758.db2.gz CQPHSZFBPKWITB-PWSUYJOCSA-N 1 3 238.400 2.329 20 0 BEADHO CCCC1CCC(NC[C@H]2CC[NH2+]2)CC1 ZINC001246194658 987587093 /nfs/dbraw/zinc/58/70/93/987587093.db2.gz SJEKIZBNYOUUJQ-WXRRBKDZSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1c[nH+]c2ccccc2c1N1CC(N(C)C)C1 ZINC001116577663 987634088 /nfs/dbraw/zinc/63/40/88/987634088.db2.gz OTSKFVOKJRJBLH-UHFFFAOYSA-N 1 3 241.338 2.293 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]CCCCc2ccccn2)CCN1 ZINC001246237240 987634621 /nfs/dbraw/zinc/63/46/21/987634621.db2.gz HEMOWHIGAUBTBO-UKRRQHHQSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@H]1CC[C@@H](NCCCCc2ccccn2)C[NH2+]1 ZINC001246241036 987642089 /nfs/dbraw/zinc/64/20/89/987642089.db2.gz VFJIUMHJNVGKQC-DZGCQCFKSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CN1 ZINC001246242301 987646598 /nfs/dbraw/zinc/64/65/98/987646598.db2.gz DCMVDFQFPFSAHH-YPMHNXCESA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1CC[C@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC001246264693 987658222 /nfs/dbraw/zinc/65/82/22/987658222.db2.gz OPSPVZOOYBNHSQ-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CCC[NH2+]CCN[C@@H](CC)CC(C)C ZINC001246273330 987665684 /nfs/dbraw/zinc/66/56/84/987665684.db2.gz YXNOZVFXUVHHGT-LBPRGKRZSA-N 1 3 200.370 2.400 20 0 BEADHO CC1(C)CCC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC001246283455 987678728 /nfs/dbraw/zinc/67/87/28/987678728.db2.gz CEIQGIYYLZREBG-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CC[C@H](C)NC1)c1ccc(N)cc1 ZINC001246298120 987693588 /nfs/dbraw/zinc/69/35/88/987693588.db2.gz TUHWTVFAMJHBHK-MISXGVKJSA-N 1 3 233.359 2.060 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001246313112 987717551 /nfs/dbraw/zinc/71/75/51/987717551.db2.gz JAVULLJOGVFYEL-ZNMIVQPWSA-N 1 3 248.370 2.234 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccc(C)cc1 ZINC001246315107 987721276 /nfs/dbraw/zinc/72/12/76/987721276.db2.gz HFYGSEBLQLLDDY-OCCSQVGLSA-N 1 3 220.360 2.253 20 0 BEADHO CC(C)(CN[C@@H]1CCC[NH2+]C1)CC(F)(F)F ZINC001246445764 987803709 /nfs/dbraw/zinc/80/37/09/987803709.db2.gz HWDQKQKAZPZFLX-SECBINFHSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@H]1C[C@H](NC(C)(C)Cc2ccccn2)CC[NH2+]1 ZINC001246432849 987799691 /nfs/dbraw/zinc/79/96/91/987799691.db2.gz IDRFBNURGBYYEM-QWHCGFSZSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C(C)(C)Cc2ccccn2)CCN1 ZINC001246432849 987799694 /nfs/dbraw/zinc/79/96/94/987799694.db2.gz IDRFBNURGBYYEM-QWHCGFSZSA-N 1 3 247.386 2.133 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)Cc2cccnc2)CCN1 ZINC001246444653 987801844 /nfs/dbraw/zinc/80/18/44/987801844.db2.gz AQQFKANOXJMZHH-OCCSQVGLSA-N 1 3 247.386 2.133 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC23CNC3)C1 ZINC001246445124 987802973 /nfs/dbraw/zinc/80/29/73/987802973.db2.gz MMLNMXZDVUMQPS-UTLUCORTSA-N 1 3 248.292 2.059 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@H](N[C@H]2CC23C[NH2+]C3)C1 ZINC001246445124 987802974 /nfs/dbraw/zinc/80/29/74/987802974.db2.gz MMLNMXZDVUMQPS-UTLUCORTSA-N 1 3 248.292 2.059 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)CN1 ZINC001246443139 987803289 /nfs/dbraw/zinc/80/32/89/987803289.db2.gz LTWSPMIYQPPNNI-GSZZWUTPSA-N 1 3 236.403 2.397 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CNC3)CC(C)(C)C1 ZINC001246446375 987805344 /nfs/dbraw/zinc/80/53/44/987805344.db2.gz RVUOZNJFFHKOGN-WOPDTQHZSA-N 1 3 222.376 2.153 20 0 BEADHO C1[C@@H]([NH2+]C2CCCCCCC2)C12CNC2 ZINC001246448387 987805657 /nfs/dbraw/zinc/80/56/57/987805657.db2.gz YHHBZAIDYCRUCQ-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H]1CCC[C@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC001246457778 987815277 /nfs/dbraw/zinc/81/52/77/987815277.db2.gz UZIRCVZKLSUEEQ-RWMBFGLXSA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001246459891 987816072 /nfs/dbraw/zinc/81/60/72/987816072.db2.gz HTBLJIUNSHFWBL-FOPUMGAHSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(N)C2)C[C@H]1C ZINC001246460740 987819475 /nfs/dbraw/zinc/81/94/75/987819475.db2.gz MUCBLPDSXMTJLN-VEGXAWMVSA-N 1 3 210.365 2.281 20 0 BEADHO CCCC[C@@H](CCC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246466593 987827043 /nfs/dbraw/zinc/82/70/43/987827043.db2.gz QZFZNUFPDLJBLH-MCIONIFRSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCC[C@H]1N ZINC001246478529 987838757 /nfs/dbraw/zinc/83/87/57/987838757.db2.gz PCWFXBBUWLUGEY-HLTSFMKQSA-N 1 3 224.270 2.187 20 0 BEADHO CCC[N@@H+]([C@H](C)CCNC)[C@@H](C)CC ZINC001246526801 987878451 /nfs/dbraw/zinc/87/84/51/987878451.db2.gz CRIXAFALJCJEMQ-NWDGAFQWSA-N 1 3 200.370 2.495 20 0 BEADHO CCC[N@H+]([C@H](C)CCNC)[C@@H](C)CC ZINC001246526801 987878456 /nfs/dbraw/zinc/87/84/56/987878456.db2.gz CRIXAFALJCJEMQ-NWDGAFQWSA-N 1 3 200.370 2.495 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@](C)(N)C1)CC2 ZINC001246527566 987884011 /nfs/dbraw/zinc/88/40/11/987884011.db2.gz GPYCKBPCBJSAMG-HZPDHXFCSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@](C)(N)C1)CC2 ZINC001246527566 987884015 /nfs/dbraw/zinc/88/40/15/987884015.db2.gz GPYCKBPCBJSAMG-HZPDHXFCSA-N 1 3 244.382 2.275 20 0 BEADHO CC[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC001246539260 987904848 /nfs/dbraw/zinc/90/48/48/987904848.db2.gz GPBUZHPAQFDDKA-AGIUHOORSA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@@H]1CC[C@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC001246539260 987904852 /nfs/dbraw/zinc/90/48/52/987904852.db2.gz GPBUZHPAQFDDKA-AGIUHOORSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CCCC(C)(C)C2)C[C@H]1CN ZINC001246539307 987905942 /nfs/dbraw/zinc/90/59/42/987905942.db2.gz HMRHMIUOXIVJDM-YNEHKIRRSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CCCC(C)(C)C2)C[C@H]1CN ZINC001246539307 987905945 /nfs/dbraw/zinc/90/59/45/987905945.db2.gz HMRHMIUOXIVJDM-YNEHKIRRSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 ZINC001246541812 987908220 /nfs/dbraw/zinc/90/82/20/987908220.db2.gz NSEKRSUTZPXJSL-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](N)CC1 ZINC001246541812 987908229 /nfs/dbraw/zinc/90/82/29/987908229.db2.gz NSEKRSUTZPXJSL-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CC1(C)CC[C@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC001246545344 987921608 /nfs/dbraw/zinc/92/16/08/987921608.db2.gz JHKFRHAUBAUUCY-RYUDHWBXSA-N 1 3 210.365 2.378 20 0 BEADHO CC1(C)CC[C@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC001246545344 987921617 /nfs/dbraw/zinc/92/16/17/987921617.db2.gz JHKFRHAUBAUUCY-RYUDHWBXSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[N@@H+](C2C[C@@H](C)C[C@H](C)C2)C[C@H]1CN ZINC001246544700 987922755 /nfs/dbraw/zinc/92/27/55/987922755.db2.gz YCTKIPWPYCQRNU-ZDEQEGDKSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@H+](C2C[C@@H](C)C[C@H](C)C2)C[C@H]1CN ZINC001246544700 987922759 /nfs/dbraw/zinc/92/27/59/987922759.db2.gz YCTKIPWPYCQRNU-ZDEQEGDKSA-N 1 3 224.392 2.338 20 0 BEADHO CCCC[C@@H](C)N1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246561634 987992898 /nfs/dbraw/zinc/99/28/98/987992898.db2.gz RLWGXQJROKCINW-GHMZBOCLSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246573129 988058744 /nfs/dbraw/zinc/05/87/44/988058744.db2.gz YUBYOFQTQWTFPD-AGIUHOORSA-N 1 3 228.355 2.341 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(F)CC2)CCN1 ZINC001246573129 988058760 /nfs/dbraw/zinc/05/87/60/988058760.db2.gz YUBYOFQTQWTFPD-AGIUHOORSA-N 1 3 228.355 2.341 20 0 BEADHO C[C@@H]1CC[C@@H](N2CC(C)(C[NH3+])C2)C[C@@H]1C ZINC001246586491 988142773 /nfs/dbraw/zinc/14/27/73/988142773.db2.gz BFKBSLADLIXBPI-GRYCIOLGSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CC[C@@H]([NH+]2CC(C)(CN)C2)C[C@@H]1C ZINC001246586491 988142780 /nfs/dbraw/zinc/14/27/80/988142780.db2.gz BFKBSLADLIXBPI-GRYCIOLGSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246608773 988229247 /nfs/dbraw/zinc/22/92/47/988229247.db2.gz JQSFOCFCROBADP-HZSPNIEDSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246608773 988229269 /nfs/dbraw/zinc/22/92/69/988229269.db2.gz JQSFOCFCROBADP-HZSPNIEDSA-N 1 3 222.376 2.393 20 0 BEADHO CCCC[C@H](CCC)[NH+]1CC2(CNC2)C1 ZINC001246611218 988240430 /nfs/dbraw/zinc/24/04/30/988240430.db2.gz BBHMJIZRQRQFRL-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H](CC1CC1)[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246613398 988241029 /nfs/dbraw/zinc/24/10/29/988241029.db2.gz YWYDPKQYAJYZID-TZMCWYRMSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CC1CC1)[N@H+]1CCC[C@@]12CCCNC2 ZINC001246613398 988241039 /nfs/dbraw/zinc/24/10/39/988241039.db2.gz YWYDPKQYAJYZID-TZMCWYRMSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H](C)C1 ZINC001246625032 988284241 /nfs/dbraw/zinc/28/42/41/988284241.db2.gz QTZNGDUNHBQJRF-XPABHHOTSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H](C)C1 ZINC001246625032 988284256 /nfs/dbraw/zinc/28/42/56/988284256.db2.gz QTZNGDUNHBQJRF-XPABHHOTSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629652 988304645 /nfs/dbraw/zinc/30/46/45/988304645.db2.gz FQPZPGIEUVFHPP-FVCCEPFGSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629652 988304663 /nfs/dbraw/zinc/30/46/63/988304663.db2.gz FQPZPGIEUVFHPP-FVCCEPFGSA-N 1 3 208.349 2.001 20 0 BEADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629672 988311655 /nfs/dbraw/zinc/31/16/55/988311655.db2.gz ZFUOFMZDLTUJEP-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)CC[C@H](C)[N@H+]1CC[C@H]2CNCC[C@H]21 ZINC001246629672 988311672 /nfs/dbraw/zinc/31/16/72/988311672.db2.gz ZFUOFMZDLTUJEP-MELADBBJSA-N 1 3 224.392 2.495 20 0 BEADHO CC1(C)CCC[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636374 988328762 /nfs/dbraw/zinc/32/87/62/988328762.db2.gz GLOOVYGWHCNHOJ-YNEHKIRRSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CCC[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636374 988328774 /nfs/dbraw/zinc/32/87/74/988328774.db2.gz GLOOVYGWHCNHOJ-YNEHKIRRSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H](CC(C)C)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001246657338 988384830 /nfs/dbraw/zinc/38/48/30/988384830.db2.gz LYAPPIBBZBABMU-RDBSUJKOSA-N 1 3 224.392 2.495 20 0 BEADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660593 988392657 /nfs/dbraw/zinc/39/26/57/988392657.db2.gz VOMDTPRPHJXJAN-QSLWVIQJSA-N 1 3 224.392 2.480 20 0 BEADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246660593 988392671 /nfs/dbraw/zinc/39/26/71/988392671.db2.gz VOMDTPRPHJXJAN-QSLWVIQJSA-N 1 3 224.392 2.480 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659787 988394251 /nfs/dbraw/zinc/39/42/51/988394251.db2.gz HENGGZJFUBQPRD-RXGFPQBGSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659787 988394260 /nfs/dbraw/zinc/39/42/60/988394260.db2.gz HENGGZJFUBQPRD-RXGFPQBGSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H](N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)[C@@H]1CCC[NH2+]1 ZINC001118607850 988477812 /nfs/dbraw/zinc/47/78/12/988477812.db2.gz FROQHWGOKSNIEY-MJDLHHQISA-N 1 3 244.329 2.150 20 0 BEADHO CC[C@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246851169 988570987 /nfs/dbraw/zinc/57/09/87/988570987.db2.gz YSHLPAJQSFDQCS-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246851169 988570992 /nfs/dbraw/zinc/57/09/92/988570992.db2.gz YSHLPAJQSFDQCS-AGIUHOORSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C)NC2)C2(CC2)C1 ZINC001246893431 988665678 /nfs/dbraw/zinc/66/56/78/988665678.db2.gz KUHBMHPBTLFWDA-SRVKXCTJSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C)NC2)C2(CC2)C1 ZINC001246893431 988665682 /nfs/dbraw/zinc/66/56/82/988665682.db2.gz KUHBMHPBTLFWDA-SRVKXCTJSA-N 1 3 208.349 2.001 20 0 BEADHO NC[C@H]1CCC[N@@H+]1[C@H]1CSc2ccccc2C1 ZINC001246917719 988712549 /nfs/dbraw/zinc/71/25/49/988712549.db2.gz SLWBUNUJRMGGJC-CHWSQXEVSA-N 1 3 248.395 2.127 20 0 BEADHO NC[C@H]1CCC[N@H+]1[C@H]1CSc2ccccc2C1 ZINC001246917719 988712563 /nfs/dbraw/zinc/71/25/63/988712563.db2.gz SLWBUNUJRMGGJC-CHWSQXEVSA-N 1 3 248.395 2.127 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941464 988774123 /nfs/dbraw/zinc/77/41/23/988774123.db2.gz LADGKAAKUXQXKK-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941464 988774132 /nfs/dbraw/zinc/77/41/32/988774132.db2.gz LADGKAAKUXQXKK-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CC[C@H](N)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001246976086 988803255 /nfs/dbraw/zinc/80/32/55/988803255.db2.gz XKNLMMCGTCNNDL-RISCZKNCSA-N 1 3 238.350 2.426 20 0 BEADHO CC[C@H](N)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC001246976086 988803259 /nfs/dbraw/zinc/80/32/59/988803259.db2.gz XKNLMMCGTCNNDL-RISCZKNCSA-N 1 3 238.350 2.426 20 0 BEADHO CC[C@H](N)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001246976085 988804176 /nfs/dbraw/zinc/80/41/76/988804176.db2.gz XKNLMMCGTCNNDL-FZMZJTMJSA-N 1 3 238.350 2.426 20 0 BEADHO CC[C@H](N)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC001246976085 988804183 /nfs/dbraw/zinc/80/41/83/988804183.db2.gz XKNLMMCGTCNNDL-FZMZJTMJSA-N 1 3 238.350 2.426 20 0 BEADHO CCCCC[C@H](CC)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246988937 988819541 /nfs/dbraw/zinc/81/95/41/988819541.db2.gz KWCPVCGPCPMGRN-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]([NH2+]C/C=C/C1CC1)[C@H]1CCCCN1 ZINC001325718142 989237973 /nfs/dbraw/zinc/23/79/73/989237973.db2.gz QJUVXGRHEOCSHH-WPCUQIPDSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]CCCCOc1ccccc1)C1CNC1 ZINC001325717020 989238359 /nfs/dbraw/zinc/23/83/59/989238359.db2.gz KOUJASODQUQRJS-CYBMUJFWSA-N 1 3 248.370 2.043 20 0 BEADHO C[C@H]([NH2+]CCCCOc1ccccc1)C1CNC1 ZINC001325717021 989239571 /nfs/dbraw/zinc/23/95/71/989239571.db2.gz KOUJASODQUQRJS-ZDUSSCGKSA-N 1 3 248.370 2.043 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)CSC(C)(C)C ZINC001325743288 989247583 /nfs/dbraw/zinc/24/75/83/989247583.db2.gz LBMNBQSDHQHNJB-GHMZBOCLSA-N 1 3 232.437 2.352 20 0 BEADHO C[NH2+][C@H](C)CCN[C@@H](C)Cc1cccs1 ZINC001325744242 989249951 /nfs/dbraw/zinc/24/99/51/989249951.db2.gz RYMXUIPUDQDAFY-MNOVXSKESA-N 1 3 226.389 2.267 20 0 BEADHO CC[C@H]1CCCC[N@@H+]1CCNc1ccncc1 ZINC001120860972 989929742 /nfs/dbraw/zinc/92/97/42/989929742.db2.gz ZSNOESKTJQJWJJ-AWEZNQCLSA-N 1 3 233.359 2.180 20 0 BEADHO CC[C@H]1CCCC[N@H+]1CCNc1ccncc1 ZINC001120860972 989929746 /nfs/dbraw/zinc/92/97/46/989929746.db2.gz ZSNOESKTJQJWJJ-AWEZNQCLSA-N 1 3 233.359 2.180 20 0 BEADHO CN1CCCC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC001120884893 989948327 /nfs/dbraw/zinc/94/83/27/989948327.db2.gz RZIMCDOIFMUIJW-ZDUSSCGKSA-N 1 3 245.370 2.277 20 0 BEADHO C[C@@H](Cc1ccco1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258194864 991106473 /nfs/dbraw/zinc/10/64/73/991106473.db2.gz LRTNSWINLFIYFC-ZFWWWQNUSA-N 1 3 248.370 2.238 20 0 BEADHO C[C@@H](Cc1ccco1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258194864 991106476 /nfs/dbraw/zinc/10/64/76/991106476.db2.gz LRTNSWINLFIYFC-ZFWWWQNUSA-N 1 3 248.370 2.238 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC001308985545 991249939 /nfs/dbraw/zinc/24/99/39/991249939.db2.gz XPHWJMXSDNKKLN-OVCQRUGDSA-N 1 3 248.414 2.351 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001308985546 991250735 /nfs/dbraw/zinc/25/07/35/991250735.db2.gz XPHWJMXSDNKKLN-YHDIRRJESA-N 1 3 248.414 2.351 20 0 BEADHO CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001258333935 991260271 /nfs/dbraw/zinc/26/02/71/991260271.db2.gz QISIDTPLZGASIB-VHSXEESVSA-N 1 3 218.410 2.091 20 0 BEADHO CSC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)CN ZINC001258333924 991261965 /nfs/dbraw/zinc/26/19/65/991261965.db2.gz QISIDTPLZGASIB-NXEZZACHSA-N 1 3 218.410 2.091 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)cc3)[C@H]2C1 ZINC001560623366 991524240 /nfs/dbraw/zinc/52/42/40/991524240.db2.gz VGELHERJRJSIJZ-AEGPPILISA-N 1 3 248.345 2.256 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)Cc1cccnc1 ZINC001258613671 991540926 /nfs/dbraw/zinc/54/09/26/991540926.db2.gz VWDUMXITXPBLRA-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)Cc1cccnc1 ZINC001258613671 991540934 /nfs/dbraw/zinc/54/09/34/991540934.db2.gz VWDUMXITXPBLRA-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCCN(CCC[NH3+])[C@@H](C)Cc1cccnc1 ZINC001258613671 991540943 /nfs/dbraw/zinc/54/09/43/991540943.db2.gz VWDUMXITXPBLRA-ZDUSSCGKSA-N 1 3 235.375 2.073 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@]1(C)CCCCO1 ZINC001560811589 991610639 /nfs/dbraw/zinc/61/06/39/991610639.db2.gz QFLRBUZCAJCLIO-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)C1CCC1 ZINC001561053643 991709881 /nfs/dbraw/zinc/70/98/81/991709881.db2.gz XZYWYUREPOJRHZ-LJISPDSOSA-N 1 3 236.403 2.495 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)N1CCO[C@H](C)C1 ZINC001258907563 991890398 /nfs/dbraw/zinc/89/03/98/991890398.db2.gz KMVMPSHGQDNYJK-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)N(C)CC(C)=O ZINC001258908606 991898373 /nfs/dbraw/zinc/89/83/73/991898373.db2.gz YRVXIXMXKWSFBR-GFCCVEGCSA-N 1 3 228.380 2.018 20 0 BEADHO CC(C)(CN)C[NH2+]CC1(CC2CC2)CC1 ZINC001575315103 993002868 /nfs/dbraw/zinc/00/28/68/993002868.db2.gz IAHHLGGIUCFATG-UHFFFAOYSA-N 1 3 210.365 2.141 20 0 BEADHO CC(C)(C[NH3+])CN1CC(C2CCCCC2)C1 ZINC001575314850 993011080 /nfs/dbraw/zinc/01/10/80/993011080.db2.gz AFLIEACPRMZWIV-UHFFFAOYSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccncc1 ZINC001262671528 993014374 /nfs/dbraw/zinc/01/43/74/993014374.db2.gz IYBIUDJHOOKODO-MCIONIFRSA-N 1 3 247.386 2.282 20 0 BEADHO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCN1 ZINC001575965753 993142596 /nfs/dbraw/zinc/14/25/96/993142596.db2.gz FHUSVRMKBZFBKR-DGCLKSJQSA-N 1 3 236.334 2.098 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCC2)[C@H](C)N ZINC001576102171 993181774 /nfs/dbraw/zinc/18/17/74/993181774.db2.gz CBCVUDYRJWBFGG-NWDGAFQWSA-N 1 3 232.371 2.391 20 0 BEADHO CC1(C)CC(C[NH2+]CC2(CN)CCC2)C1 ZINC001576396252 993296012 /nfs/dbraw/zinc/29/60/12/993296012.db2.gz XLKHKSOTADRMHT-UHFFFAOYSA-N 1 3 210.365 2.141 20 0 BEADHO CC1(C)CC[C@@H](CNC[C@H]2CCSC2)[NH2+]C1 ZINC001576420965 993298322 /nfs/dbraw/zinc/29/83/22/993298322.db2.gz DSWDSVTVIQEPEG-NEPJUHHUSA-N 1 3 242.432 2.107 20 0 BEADHO CC1(C)CCC[C@@H]1C[NH2+]CC1(CN)CC1 ZINC001576434433 993304597 /nfs/dbraw/zinc/30/45/97/993304597.db2.gz GTYYGGWCBDQSMM-LLVKDONJSA-N 1 3 210.365 2.141 20 0 BEADHO CC1(C)CCC[C@H]1C[NH2+]CC1(CN)CC1 ZINC001576434435 993302662 /nfs/dbraw/zinc/30/26/62/993302662.db2.gz GTYYGGWCBDQSMM-NSHDSACASA-N 1 3 210.365 2.141 20 0 BEADHO CCC1CCC(N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000380081816 993310083 /nfs/dbraw/zinc/31/00/83/993310083.db2.gz KTYMLNLZGLPSDN-IKWCTNDRSA-N 1 3 210.365 2.377 20 0 BEADHO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000380075543 993312626 /nfs/dbraw/zinc/31/26/26/993312626.db2.gz RBXVCOGWQJIWAM-MELADBBJSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000380075543 993312633 /nfs/dbraw/zinc/31/26/33/993312633.db2.gz RBXVCOGWQJIWAM-MELADBBJSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)CCC[C@@H](C)[N@H+](C)CCCN ZINC000380284519 993325540 /nfs/dbraw/zinc/32/55/40/993325540.db2.gz ZRFINZGOTPSJNS-GFCCVEGCSA-N 1 3 200.370 2.482 20 0 BEADHO CC(C)CCC[C@@H](C)[N@@H+](C)CCCN ZINC000380284519 993325545 /nfs/dbraw/zinc/32/55/45/993325545.db2.gz ZRFINZGOTPSJNS-GFCCVEGCSA-N 1 3 200.370 2.482 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC12CCC(CC1)C2 ZINC001576608557 993365295 /nfs/dbraw/zinc/36/52/95/993365295.db2.gz UNJIQEHAFMBHIZ-NELGMTEASA-N 1 3 222.376 2.378 20 0 BEADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC12CCC(CC1)C2 ZINC001576608557 993365301 /nfs/dbraw/zinc/36/53/01/993365301.db2.gz UNJIQEHAFMBHIZ-NELGMTEASA-N 1 3 222.376 2.378 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H](NCCC[C@@H]2C=CCC2)C1 ZINC001576849831 993433555 /nfs/dbraw/zinc/43/35/55/993433555.db2.gz LEBGHUARJKHCGK-BFHYXJOUSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H](NCCC[C@H]2C=CCC2)C1 ZINC001576849833 993434875 /nfs/dbraw/zinc/43/48/75/993434875.db2.gz LEBGHUARJKHCGK-MELADBBJSA-N 1 3 222.376 2.320 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H](N)C1 ZINC001577254369 993564513 /nfs/dbraw/zinc/56/45/13/993564513.db2.gz JVGQQARKDPIACJ-FDYHWXHSSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(C)(N)CC2)C1 ZINC000390672438 993800385 /nfs/dbraw/zinc/80/03/85/993800385.db2.gz VYEUAEJBXIIJEN-VXGBXAGGSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001621108267 1170717653 /nfs/dbraw/zinc/71/76/53/1170717653.db2.gz KWWHDXMPDBDEPF-CAEXGNQWSA-N 1 3 236.403 2.495 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@H]2C1 ZINC001621569799 1170854742 /nfs/dbraw/zinc/85/47/42/1170854742.db2.gz FBDVZMFMTKOXJO-XUXIUFHCSA-N 1 3 236.403 2.495 20 0 BEADHO C1=C(CCN[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000043324436 1171281750 /nfs/dbraw/zinc/28/17/50/1171281750.db2.gz DBGAZDJDQQFRPV-CYBMUJFWSA-N 1 3 208.349 2.219 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000050249098 1171784881 /nfs/dbraw/zinc/78/48/81/1171784881.db2.gz UJAUZMFNMPEZBQ-ZDUSSCGKSA-N 1 3 241.338 2.015 20 0 BEADHO Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000415012717 398153693 /nfs/dbraw/zinc/15/36/93/398153693.db2.gz UCNQQAFBRVAECK-VXGBXAGGSA-N 1 3 206.333 2.129 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCOC1CCCCC1 ZINC000422941831 398159728 /nfs/dbraw/zinc/15/97/28/398159728.db2.gz IPSZMPDKWDSSGN-NWDGAFQWSA-N 1 3 228.380 2.051 20 0 BEADHO Cc1ccccc1C1(CN[C@H](C)C2C[NH2+]C2)CC1 ZINC000422907326 398157383 /nfs/dbraw/zinc/15/73/83/398157383.db2.gz WYHYJCDMWXITOB-CYBMUJFWSA-N 1 3 244.382 2.224 20 0 BEADHO Cc1ccccc1C1(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000422907326 398157384 /nfs/dbraw/zinc/15/73/84/398157384.db2.gz WYHYJCDMWXITOB-CYBMUJFWSA-N 1 3 244.382 2.224 20 0 BEADHO C[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814367 398170594 /nfs/dbraw/zinc/17/05/94/398170594.db2.gz PTZUNLMPGVRZRO-IJLUTSLNSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)C(C)(C)C ZINC000379814367 398170595 /nfs/dbraw/zinc/17/05/95/398170595.db2.gz PTZUNLMPGVRZRO-IJLUTSLNSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422976841 398160957 /nfs/dbraw/zinc/16/09/57/398160957.db2.gz VQBKKHYNAZVXCW-MCIONIFRSA-N 1 3 222.376 2.320 20 0 BEADHO CCc1cnccc1[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423019932 398161073 /nfs/dbraw/zinc/16/10/73/398161073.db2.gz XVYVBJLLAAZTNT-WOPDTQHZSA-N 1 3 235.375 2.420 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000423021288 398161921 /nfs/dbraw/zinc/16/19/21/398161921.db2.gz BPAJCQQKFLNXGJ-GWCFXTLKSA-N 1 3 233.359 2.298 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000423174528 398164238 /nfs/dbraw/zinc/16/42/38/398164238.db2.gz CIAXKJHKAAOLBX-XHNCKOQMSA-N 1 3 226.286 2.290 20 0 BEADHO C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386090441 398197543 /nfs/dbraw/zinc/19/75/43/398197543.db2.gz IBILQXKYVZLGMM-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000274871295 178119037 /nfs/dbraw/zinc/11/90/37/178119037.db2.gz FRFQDRVFWJEJHW-HNNXBMFYSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1cc(N2CC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000019439058 178120049 /nfs/dbraw/zinc/12/00/49/178120049.db2.gz PZNIFTAJDVVEPN-GFCCVEGCSA-N 1 3 241.338 2.328 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647801159 398207863 /nfs/dbraw/zinc/20/78/63/398207863.db2.gz PZJIBIHRUHKRNL-MIGQKNRLSA-N 1 3 244.382 2.378 20 0 BEADHO Cc1cc(NCCN2CC=CCC2)cc[nH+]1 ZINC000280301077 178161338 /nfs/dbraw/zinc/16/13/38/178161338.db2.gz RKQKZXZHKSWKDU-UHFFFAOYSA-N 1 3 217.316 2.064 20 0 BEADHO [NH3+]CC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000070169343 398221594 /nfs/dbraw/zinc/22/15/94/398221594.db2.gz NACZYFVJAJJUKD-LBPRGKRZSA-N 1 3 236.334 2.387 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)CC(F)(F)F ZINC000396917961 262827329 /nfs/dbraw/zinc/82/73/29/262827329.db2.gz VXZHOEQCXKNEFM-IVZWLZJFSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@@H]2C)CCN1 ZINC000229546093 538939581 /nfs/dbraw/zinc/93/95/81/538939581.db2.gz BFFRSWMZRDXURF-FVCCEPFGSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2C)CCN1 ZINC000229546093 538939582 /nfs/dbraw/zinc/93/95/82/538939582.db2.gz BFFRSWMZRDXURF-FVCCEPFGSA-N 1 3 210.365 2.247 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CCNCC1(C)C ZINC000300883110 168363280 /nfs/dbraw/zinc/36/32/80/168363280.db2.gz SQHFOJORNTXHBB-GFCCVEGCSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000576582280 365630400 /nfs/dbraw/zinc/63/04/00/365630400.db2.gz IOKHAGJBIWOBEY-WDNDVIMCSA-N 1 3 242.407 2.262 20 0 BEADHO CCC[C@H](CNC1CC[NH+](CCC)CC1)OC ZINC000356344613 398247535 /nfs/dbraw/zinc/24/75/35/398247535.db2.gz XCIPHOFSAQWSKM-CQSZACIVSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1cccc(CCN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000449262920 398266436 /nfs/dbraw/zinc/26/64/36/398266436.db2.gz FYSJXIUHQKGWCQ-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1cccc(CCN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000449262920 398266441 /nfs/dbraw/zinc/26/64/41/398266441.db2.gz FYSJXIUHQKGWCQ-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H]1C ZINC000165715218 361844667 /nfs/dbraw/zinc/84/46/67/361844667.db2.gz CERARHALVOMXKN-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCNCC1 ZINC000335602368 136235704 /nfs/dbraw/zinc/23/57/04/136235704.db2.gz YKQOMZAQNUPYPQ-HNNXBMFYSA-N 1 3 230.355 2.324 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000083389770 398280822 /nfs/dbraw/zinc/28/08/22/398280822.db2.gz NUVFNGJUGRABEX-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO FC(F)C1CCC([NH2+]C2CCNCC2)CC1 ZINC000335611738 136236923 /nfs/dbraw/zinc/23/69/23/136236923.db2.gz IUSPPSRICWVAPS-UHFFFAOYSA-N 1 3 232.318 2.152 20 0 BEADHO C(CN1CCC2(CCC2)C1)C[NH+]1CCCC1 ZINC000162257442 349624037 /nfs/dbraw/zinc/62/40/37/349624037.db2.gz HJNFYGSLBUKLGJ-UHFFFAOYSA-N 1 3 222.376 2.348 20 0 BEADHO FC1(F)CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000383928840 539012265 /nfs/dbraw/zinc/01/22/65/539012265.db2.gz BHCOFLJHKWKGTD-SRVKXCTJSA-N 1 3 244.329 2.391 20 0 BEADHO FC1(F)CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000383928840 539012267 /nfs/dbraw/zinc/01/22/67/539012267.db2.gz BHCOFLJHKWKGTD-SRVKXCTJSA-N 1 3 244.329 2.391 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000350764162 398301673 /nfs/dbraw/zinc/30/16/73/398301673.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000350764162 398301676 /nfs/dbraw/zinc/30/16/76/398301676.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2CCC2)C1 ZINC000350764162 398301680 /nfs/dbraw/zinc/30/16/80/398301680.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2CCC2)C1 ZINC000350764162 398301685 /nfs/dbraw/zinc/30/16/85/398301685.db2.gz ONQLSOABYMRCKW-OAHLLOKOSA-N 1 3 236.403 2.450 20 0 BEADHO CC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000036169892 342894557 /nfs/dbraw/zinc/89/45/57/342894557.db2.gz DQMJOFRFMSIZNX-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000036169892 342894559 /nfs/dbraw/zinc/89/45/59/342894559.db2.gz DQMJOFRFMSIZNX-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000232727745 342879395 /nfs/dbraw/zinc/87/93/95/342879395.db2.gz FELIBMYCWFOYPT-NEPJUHHUSA-N 1 3 210.365 2.282 20 0 BEADHO CC[NH+]1CCC(CCNCc2ccco2)CC1 ZINC000174550975 346883902 /nfs/dbraw/zinc/88/39/02/346883902.db2.gz MVDBLYBHULGHJZ-UHFFFAOYSA-N 1 3 236.359 2.491 20 0 BEADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000580312081 346893341 /nfs/dbraw/zinc/89/33/41/346893341.db2.gz JBZXBBDNZIAQFR-MNOVXSKESA-N 1 3 239.388 2.326 20 0 BEADHO CC[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000479953106 529474442 /nfs/dbraw/zinc/47/44/42/529474442.db2.gz GQUGJXMIQJGODG-CWRNSKLLSA-N 1 3 244.382 2.331 20 0 BEADHO COCCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000178244178 536666719 /nfs/dbraw/zinc/66/67/19/536666719.db2.gz HISJLBWNRKXGEN-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386597521 343079188 /nfs/dbraw/zinc/07/91/88/343079188.db2.gz TWAVFVOTNYPPMK-UPJWGTAASA-N 1 3 212.381 2.399 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000236314215 343091761 /nfs/dbraw/zinc/09/17/61/343091761.db2.gz OEGYZXMAGRTABU-VXGBXAGGSA-N 1 3 208.349 2.036 20 0 BEADHO COCc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214618 343151162 /nfs/dbraw/zinc/15/11/62/343151162.db2.gz DDLVOUMZEQGFMK-LSDHHAIUSA-N 1 3 248.370 2.193 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)c1 ZINC000093215805 343151346 /nfs/dbraw/zinc/15/13/46/343151346.db2.gz NDSSOEYVZJXMRE-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093215805 343151347 /nfs/dbraw/zinc/15/13/47/343151347.db2.gz NDSSOEYVZJXMRE-HUUCEWRRSA-N 1 3 232.371 2.397 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCOc2ccccc2)C1 ZINC000093215836 343151365 /nfs/dbraw/zinc/15/13/65/343151365.db2.gz GDUJXRCULGPZLB-KGLIPLIRSA-N 1 3 248.370 2.315 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCCOc2ccccc2)C1 ZINC000093215836 343151366 /nfs/dbraw/zinc/15/13/66/343151366.db2.gz GDUJXRCULGPZLB-KGLIPLIRSA-N 1 3 248.370 2.315 20 0 BEADHO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000094183059 343152563 /nfs/dbraw/zinc/15/25/63/343152563.db2.gz AOPJMCQKPRLAMH-LSDHHAIUSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccccc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000094183059 343152565 /nfs/dbraw/zinc/15/25/65/343152565.db2.gz AOPJMCQKPRLAMH-LSDHHAIUSA-N 1 3 232.371 2.397 20 0 BEADHO [NH3+]C[C@@H]1CCN(CCCc2cccc(F)c2)C1 ZINC000348757859 136297272 /nfs/dbraw/zinc/29/72/72/136297272.db2.gz YTHULJPEYOBXPF-ZDUSSCGKSA-N 1 3 236.334 2.039 20 0 BEADHO NC[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC000348757859 136297273 /nfs/dbraw/zinc/29/72/73/136297273.db2.gz YTHULJPEYOBXPF-ZDUSSCGKSA-N 1 3 236.334 2.039 20 0 BEADHO NC[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000348757859 136297274 /nfs/dbraw/zinc/29/72/74/136297274.db2.gz YTHULJPEYOBXPF-ZDUSSCGKSA-N 1 3 236.334 2.039 20 0 BEADHO CCC1([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000335626662 136299576 /nfs/dbraw/zinc/29/95/76/136299576.db2.gz VYUCOWCTGSNKEO-VXGBXAGGSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000335626662 136299577 /nfs/dbraw/zinc/29/95/77/136299577.db2.gz VYUCOWCTGSNKEO-VXGBXAGGSA-N 1 3 208.349 2.145 20 0 BEADHO CCC1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000335626662 136299578 /nfs/dbraw/zinc/29/95/78/136299578.db2.gz VYUCOWCTGSNKEO-VXGBXAGGSA-N 1 3 208.349 2.145 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+][C@@H]1CCCNCC1 ZINC000335650857 136305096 /nfs/dbraw/zinc/30/50/96/136305096.db2.gz QSELBDNLLMWYPW-LSDHHAIUSA-N 1 3 244.382 2.448 20 0 BEADHO CC(C)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000335640871 136308450 /nfs/dbraw/zinc/30/84/50/136308450.db2.gz CBXWCULTTQPWIM-WXRRBKDZSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000166228459 136314638 /nfs/dbraw/zinc/31/46/38/136314638.db2.gz WCENZTRHPDZKQW-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000166228459 136314639 /nfs/dbraw/zinc/31/46/39/136314639.db2.gz WCENZTRHPDZKQW-CHWSQXEVSA-N 1 3 224.392 2.354 20 0 BEADHO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)ccn1 ZINC000335691333 136325376 /nfs/dbraw/zinc/32/53/76/136325376.db2.gz ZSLBWEZAWCWHGM-UHFFFAOYSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ccn1 ZINC000335691333 136325377 /nfs/dbraw/zinc/32/53/77/136325377.db2.gz ZSLBWEZAWCWHGM-UHFFFAOYSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000349157522 136327851 /nfs/dbraw/zinc/32/78/51/136327851.db2.gz YTPCJFVNDMXXMU-VHDGCEQUSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000349157522 136327852 /nfs/dbraw/zinc/32/78/52/136327852.db2.gz YTPCJFVNDMXXMU-VHDGCEQUSA-N 1 3 236.403 2.306 20 0 BEADHO CC[C@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501781 259360478 /nfs/dbraw/zinc/36/04/78/259360478.db2.gz BHVMEHSVEQMXNE-ZQDZILKHSA-N 1 3 236.403 2.354 20 0 BEADHO CSCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247974715 136373448 /nfs/dbraw/zinc/37/34/48/136373448.db2.gz HQCHMDAGYCLRQX-CHWSQXEVSA-N 1 3 242.432 2.156 20 0 BEADHO CSCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247974715 136373449 /nfs/dbraw/zinc/37/34/49/136373449.db2.gz HQCHMDAGYCLRQX-CHWSQXEVSA-N 1 3 242.432 2.156 20 0 BEADHO CC(C)c1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000258739869 136373741 /nfs/dbraw/zinc/37/37/41/136373741.db2.gz KUFRQASWAWAQRK-GFCCVEGCSA-N 1 3 220.360 2.494 20 0 BEADHO Cc1ccc2c(c1)[C@@H](N[C@@H](C)CCC[NH3+])CO2 ZINC000576458581 343750558 /nfs/dbraw/zinc/75/05/58/343750558.db2.gz OXVNPAIDJVDZPE-AAEUAGOBSA-N 1 3 234.343 2.146 20 0 BEADHO Cc1ccc2c(c1)[C@H](N[C@@H](C)CCC[NH3+])CO2 ZINC000576458583 343750762 /nfs/dbraw/zinc/75/07/62/343750762.db2.gz OXVNPAIDJVDZPE-WCQYABFASA-N 1 3 234.343 2.146 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000221317382 259371769 /nfs/dbraw/zinc/37/17/69/259371769.db2.gz PNCAQOZWCDDGES-YNEHKIRRSA-N 1 3 212.381 2.495 20 0 BEADHO CC[NH2+]CCCN[C@@H](C)Cc1ccsc1 ZINC000573355049 344107335 /nfs/dbraw/zinc/10/73/35/344107335.db2.gz BARGFHMVQRZUIL-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000634733550 344113760 /nfs/dbraw/zinc/11/37/60/344113760.db2.gz IFRUGNZJBBGVSD-NWDGAFQWSA-N 1 3 242.432 2.107 20 0 BEADHO CC[C@@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733661 344113992 /nfs/dbraw/zinc/11/39/92/344113992.db2.gz KUFJKPATNQWJLU-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CCC(CC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000040621441 344125210 /nfs/dbraw/zinc/12/52/10/344125210.db2.gz NPLDKIAVAMREJO-GFCCVEGCSA-N 1 3 212.381 2.495 20 0 BEADHO CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000132417346 344302062 /nfs/dbraw/zinc/30/20/62/344302062.db2.gz MUAWYPUPNOEPCQ-YNEHKIRRSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H](C[NH2+]C1CCNCC1)c1ccc(F)cc1 ZINC000215653949 344392751 /nfs/dbraw/zinc/39/27/51/344392751.db2.gz IBXGYPALLSACIH-NSHDSACASA-N 1 3 236.334 2.271 20 0 BEADHO C[C@@H](CNC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000215653949 344392755 /nfs/dbraw/zinc/39/27/55/344392755.db2.gz IBXGYPALLSACIH-NSHDSACASA-N 1 3 236.334 2.271 20 0 BEADHO CC(C)C[N@H+](CCCN)CC1CCCC1 ZINC000043417571 344501685 /nfs/dbraw/zinc/50/16/85/344501685.db2.gz RWXYOHFOCUDCND-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)C[N@@H+](CCCN)CC1CCCC1 ZINC000043417571 344501688 /nfs/dbraw/zinc/50/16/88/344501688.db2.gz RWXYOHFOCUDCND-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1ccc(C)c(CN(C)CCC[NH3+])c1 ZINC000049256635 344601302 /nfs/dbraw/zinc/60/13/02/344601302.db2.gz WIOSHHQATYMTRE-UHFFFAOYSA-N 1 3 206.333 2.084 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625975926 344640398 /nfs/dbraw/zinc/64/03/98/344640398.db2.gz FRCUZDVTUIUZNZ-MQYQWHSLSA-N 1 3 242.407 2.120 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625975926 344640399 /nfs/dbraw/zinc/64/03/99/344640399.db2.gz FRCUZDVTUIUZNZ-MQYQWHSLSA-N 1 3 242.407 2.120 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CCC[C@H](CNC)C1 ZINC000049954055 344704644 /nfs/dbraw/zinc/70/46/44/344704644.db2.gz QMZLCKLSOMTUCN-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CCC[C@H](CNC)C1 ZINC000049954055 344704646 /nfs/dbraw/zinc/70/46/46/344704646.db2.gz QMZLCKLSOMTUCN-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CCC[C@@H](C)CN1CCC[C@H](C[NH2+]C)C1 ZINC000049954055 344704647 /nfs/dbraw/zinc/70/46/47/344704647.db2.gz QMZLCKLSOMTUCN-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CSC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 ZINC000235118653 344802107 /nfs/dbraw/zinc/80/21/07/344802107.db2.gz NIZILLLCRWFDHJ-MNOVXSKESA-N 1 3 228.405 2.132 20 0 BEADHO CCOCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076106 537872412 /nfs/dbraw/zinc/87/24/12/537872412.db2.gz SFEZTFSMGHFBTK-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076106 537872426 /nfs/dbraw/zinc/87/24/26/537872426.db2.gz SFEZTFSMGHFBTK-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CCOCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339076106 537872437 /nfs/dbraw/zinc/87/24/37/537872437.db2.gz SFEZTFSMGHFBTK-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO Cc1ccc([C@H](C)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000628191881 344946602 /nfs/dbraw/zinc/94/66/02/344946602.db2.gz YGSYAXSUPOHCLI-BMFZPTHFSA-N 1 3 244.382 2.250 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000583428570 344947016 /nfs/dbraw/zinc/94/70/16/344947016.db2.gz GSARZHMAHIBHAP-SKDRFNHKSA-N 1 3 240.297 2.182 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000155845854 345106271 /nfs/dbraw/zinc/10/62/71/345106271.db2.gz YYUPDPZZLUYRJG-UONOGXRCSA-N 1 3 222.376 2.393 20 0 BEADHO CCC(CC)(CC)NCC12CC(C1)C[NH2+]2 ZINC000634993421 345190538 /nfs/dbraw/zinc/19/05/38/345190538.db2.gz UIRHXOFHFROTHH-UHFFFAOYSA-N 1 3 210.365 2.297 20 0 BEADHO C1=CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000156130008 345130117 /nfs/dbraw/zinc/13/01/17/345130117.db2.gz BDPAISBURWTYQS-MJBXVCDLSA-N 1 3 220.360 2.312 20 0 BEADHO C1=CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000156130137 345130353 /nfs/dbraw/zinc/13/03/53/345130353.db2.gz BDPAISBURWTYQS-MELADBBJSA-N 1 3 220.360 2.312 20 0 BEADHO C(N1CC[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996582 345188793 /nfs/dbraw/zinc/18/87/93/345188793.db2.gz OKLIKUTZCGTWIJ-QPPOZKHWSA-N 1 3 220.360 2.003 20 0 BEADHO C([N@@H+]1CC[C@@H]2CCCC[C@@H]21)C12CC(C1)CN2 ZINC000634996582 345188796 /nfs/dbraw/zinc/18/87/96/345188796.db2.gz OKLIKUTZCGTWIJ-QPPOZKHWSA-N 1 3 220.360 2.003 20 0 BEADHO C([N@H+]1CC[C@@H]2CCCC[C@@H]21)C12CC(C1)CN2 ZINC000634996582 345188800 /nfs/dbraw/zinc/18/88/00/345188800.db2.gz OKLIKUTZCGTWIJ-QPPOZKHWSA-N 1 3 220.360 2.003 20 0 BEADHO C[C@@H]1CCCC[C@]1(C)NCC12CC(C1)C[NH2+]2 ZINC000634996575 345188813 /nfs/dbraw/zinc/18/88/13/345188813.db2.gz OERJCNYONGASKY-ZIHBUVQPSA-N 1 3 222.376 2.297 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000634997013 345194246 /nfs/dbraw/zinc/19/42/46/345194246.db2.gz BCVLGXNBMHOFKJ-IJLUTSLNSA-N 1 3 208.349 2.179 20 0 BEADHO COC1(CN2CCCCC[C@H]([NH3+])C2)CCCC1 ZINC000634997178 345194605 /nfs/dbraw/zinc/19/46/05/345194605.db2.gz FJPPTZMGLXKZEY-ZDUSSCGKSA-N 1 3 240.391 2.149 20 0 BEADHO COC1(CN2CCCCC[C@@H]([NH3+])C2)CCCC1 ZINC000634997177 345194719 /nfs/dbraw/zinc/19/47/19/345194719.db2.gz FJPPTZMGLXKZEY-CYBMUJFWSA-N 1 3 240.391 2.149 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CCCC12CC2 ZINC000634997612 345197283 /nfs/dbraw/zinc/19/72/83/345197283.db2.gz OZHRGDSBCCWAAX-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@H]([NH3+])CN[C@]12C[C@H]1CCCC2 ZINC000635001287 345197327 /nfs/dbraw/zinc/19/73/27/345197327.db2.gz MYURTFBZYIGUGK-FRRDWIJNSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccsc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999744 345200475 /nfs/dbraw/zinc/20/04/75/345200475.db2.gz YNWZGCQEXRIFHS-WDEREUQCSA-N 1 3 224.373 2.083 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634999744 345200478 /nfs/dbraw/zinc/20/04/78/345200478.db2.gz YNWZGCQEXRIFHS-WDEREUQCSA-N 1 3 224.373 2.083 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634999744 345200479 /nfs/dbraw/zinc/20/04/79/345200479.db2.gz YNWZGCQEXRIFHS-WDEREUQCSA-N 1 3 224.373 2.083 20 0 BEADHO C[C@H](CC1CCC1)N[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000635001784 345201172 /nfs/dbraw/zinc/20/11/72/345201172.db2.gz FYULFGKGFONEHK-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@H]1C[C@H]1C ZINC000635004762 345208311 /nfs/dbraw/zinc/20/83/11/345208311.db2.gz DXGHRNMIGISELR-NDBYEHHHSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635011118 345212662 /nfs/dbraw/zinc/21/26/62/345212662.db2.gz MHBATPVWVMNCNK-CMPLNLGQSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H](C)[NH2+]Cc1cccc2c1CCNC2 ZINC000635012565 345214174 /nfs/dbraw/zinc/21/41/74/345214174.db2.gz WJCHVXSJMMDQMF-GFCCVEGCSA-N 1 3 232.371 2.466 20 0 BEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc2[nH]ccc21 ZINC000635012539 345214580 /nfs/dbraw/zinc/21/45/80/345214580.db2.gz MVZNFCGCRSXKPD-RISCZKNCSA-N 1 3 243.354 2.385 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012539 345214582 /nfs/dbraw/zinc/21/45/82/345214582.db2.gz MVZNFCGCRSXKPD-RISCZKNCSA-N 1 3 243.354 2.385 20 0 BEADHO N[C@H](CC[NH2+]C1CCCC1)Cc1ccccc1 ZINC000635007816 345214967 /nfs/dbraw/zinc/21/49/67/345214967.db2.gz XXZPQVKHHMTLCH-CQSZACIVSA-N 1 3 232.371 2.479 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)[C@@H]1C ZINC000635012812 345215066 /nfs/dbraw/zinc/21/50/66/345215066.db2.gz VRALVHLNUMUFHX-NDBYEHHHSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)[C@@H]1C ZINC000635012811 345215320 /nfs/dbraw/zinc/21/53/20/345215320.db2.gz VRALVHLNUMUFHX-LPWJVIDDSA-N 1 3 224.392 2.399 20 0 BEADHO CSCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158475932 345337922 /nfs/dbraw/zinc/33/79/22/345337922.db2.gz HQCHMDAGYCLRQX-STQMWFEESA-N 1 3 242.432 2.156 20 0 BEADHO CSCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158475932 345337924 /nfs/dbraw/zinc/33/79/24/345337924.db2.gz HQCHMDAGYCLRQX-STQMWFEESA-N 1 3 242.432 2.156 20 0 BEADHO CSc1ccc(CNCCCC[NH+](C)C)o1 ZINC000641713098 362625359 /nfs/dbraw/zinc/62/53/59/362625359.db2.gz PRFZCQBTEDSJMW-UHFFFAOYSA-N 1 3 242.388 2.433 20 0 BEADHO C[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)c1ccccc1 ZINC000216056290 345743729 /nfs/dbraw/zinc/74/37/29/345743729.db2.gz VKIQLAPYQKBGDH-MCIONIFRSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)c1ccccc1 ZINC000216056290 345743732 /nfs/dbraw/zinc/74/37/32/345743732.db2.gz VKIQLAPYQKBGDH-MCIONIFRSA-N 1 3 232.371 2.459 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000231440451 345752684 /nfs/dbraw/zinc/75/26/84/345752684.db2.gz XMMRKWIARHBJQY-WCQYABFASA-N 1 3 206.333 2.383 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000231440502 345752795 /nfs/dbraw/zinc/75/27/95/345752795.db2.gz XMMRKWIARHBJQY-DGCLKSJQSA-N 1 3 206.333 2.383 20 0 BEADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300358574 345852909 /nfs/dbraw/zinc/85/29/09/345852909.db2.gz IPVXRFFYDJXAEH-AGIUHOORSA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300358574 345852911 /nfs/dbraw/zinc/85/29/11/345852911.db2.gz IPVXRFFYDJXAEH-AGIUHOORSA-N 1 3 222.376 2.249 20 0 BEADHO CC1(C)C[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300358574 345852913 /nfs/dbraw/zinc/85/29/13/345852913.db2.gz IPVXRFFYDJXAEH-AGIUHOORSA-N 1 3 222.376 2.249 20 0 BEADHO C[NH+](C)C1CCN(CC2CCCC2)CC1 ZINC000202466192 346070817 /nfs/dbraw/zinc/07/08/17/346070817.db2.gz HLUQOXSUWBZSLD-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000381498342 346156750 /nfs/dbraw/zinc/15/67/50/346156750.db2.gz CEISMJMZVDSYLE-MQYQWHSLSA-N 1 3 224.392 2.351 20 0 BEADHO Cc1ccccc1[C@@H](C)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320068 537956794 /nfs/dbraw/zinc/95/67/94/537956794.db2.gz NZDSDZBHTWOTNB-MCIONIFRSA-N 1 3 230.355 2.207 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](CN)C1 ZINC000122156987 179035543 /nfs/dbraw/zinc/03/55/43/179035543.db2.gz GIFUIRATGNARER-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](CN)C1 ZINC000122156987 179035545 /nfs/dbraw/zinc/03/55/45/179035545.db2.gz GIFUIRATGNARER-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@@H](C[NH3+])C1 ZINC000122156987 179035548 /nfs/dbraw/zinc/03/55/48/179035548.db2.gz GIFUIRATGNARER-ZDUSSCGKSA-N 1 3 218.344 2.084 20 0 BEADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)C[C@@H]2C)CCO1 ZINC000563350989 323120162 /nfs/dbraw/zinc/12/01/62/323120162.db2.gz UOQXEALTPGSJKX-RFQIPJPRSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)C[C@@H]2C)CCO1 ZINC000563350989 323120163 /nfs/dbraw/zinc/12/01/63/323120163.db2.gz UOQXEALTPGSJKX-RFQIPJPRSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](CN2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000563350989 323120164 /nfs/dbraw/zinc/12/01/64/323120164.db2.gz UOQXEALTPGSJKX-RFQIPJPRSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCNC2)[C@H]1C ZINC000669378554 537969398 /nfs/dbraw/zinc/96/93/98/537969398.db2.gz GODLHYWPBQHANE-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCNC2)[C@H]1C ZINC000669378554 537969404 /nfs/dbraw/zinc/96/94/04/537969404.db2.gz GODLHYWPBQHANE-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CO[C@H](CC(C)C)C[NH+]1CCC(N(C)C)CC1 ZINC000419196282 192101377 /nfs/dbraw/zinc/10/13/77/192101377.db2.gz ZFCIYAWNVWRXKC-CQSZACIVSA-N 1 3 242.407 2.074 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1nccs1 ZINC000300361827 346432190 /nfs/dbraw/zinc/43/21/90/346432190.db2.gz IQMFYHCVYKACOW-VWYCJHECSA-N 1 3 239.388 2.106 20 0 BEADHO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](CN)C1CC1 ZINC000580062460 346502539 /nfs/dbraw/zinc/50/25/39/346502539.db2.gz FCJBLANSYTWOKO-FZMZJTMJSA-N 1 3 248.370 2.392 20 0 BEADHO Cc1ccc(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802610 362755154 /nfs/dbraw/zinc/75/51/54/362755154.db2.gz NRLCTDJBUFCHLZ-UONOGXRCSA-N 1 3 232.371 2.253 20 0 BEADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)C1(C)C)c1ccccc1 ZINC000641801103 362755407 /nfs/dbraw/zinc/75/54/07/362755407.db2.gz NBYMOGMNNLOWQI-RDBSUJKOSA-N 1 3 248.370 2.090 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N)C[C@H]1C ZINC000301012146 346566916 /nfs/dbraw/zinc/56/69/16/346566916.db2.gz YZIPOXSYKJSEMR-XQQFMLRXSA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](N)C[C@H]1C ZINC000301012146 346566918 /nfs/dbraw/zinc/56/69/18/346566918.db2.gz YZIPOXSYKJSEMR-XQQFMLRXSA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000301012146 346566923 /nfs/dbraw/zinc/56/69/23/346566923.db2.gz YZIPOXSYKJSEMR-XQQFMLRXSA-N 1 3 212.381 2.480 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000580715154 346658973 /nfs/dbraw/zinc/65/89/73/346658973.db2.gz QAFWTKYEMCEVRX-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000580715154 346658975 /nfs/dbraw/zinc/65/89/75/346658975.db2.gz QAFWTKYEMCEVRX-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000252699705 346780687 /nfs/dbraw/zinc/78/06/87/346780687.db2.gz VTIFYBOKHPLFSV-FRRDWIJNSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H](c1ccccc1)[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000252699705 346780691 /nfs/dbraw/zinc/78/06/91/346780691.db2.gz VTIFYBOKHPLFSV-FRRDWIJNSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H]1CCC[NH2+]CC1 ZINC000168737376 346742552 /nfs/dbraw/zinc/74/25/52/346742552.db2.gz IDHUHLLPSVGBJJ-DGCLKSJQSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCNCC1 ZINC000168737376 346742553 /nfs/dbraw/zinc/74/25/53/346742553.db2.gz IDHUHLLPSVGBJJ-DGCLKSJQSA-N 1 3 238.400 2.411 20 0 BEADHO Cc1cccc([C@H](C)[N@@H+]2CCCNCC2)c1 ZINC000022101210 179193377 /nfs/dbraw/zinc/19/33/77/179193377.db2.gz KNFNMFICEFUASK-ZDUSSCGKSA-N 1 3 218.344 2.351 20 0 BEADHO Cc1cccc([C@H](C)[N@H+]2CCCNCC2)c1 ZINC000022101210 179193379 /nfs/dbraw/zinc/19/33/79/179193379.db2.gz KNFNMFICEFUASK-ZDUSSCGKSA-N 1 3 218.344 2.351 20 0 BEADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000085734156 347240508 /nfs/dbraw/zinc/24/05/08/347240508.db2.gz JPLCKFBXJXXXFV-KBPBESRZSA-N 1 3 222.376 2.108 20 0 BEADHO Cc1cccc([C@H](C)N2CC[C@H](C[NH3+])C2)c1 ZINC000050245513 179195172 /nfs/dbraw/zinc/19/51/72/179195172.db2.gz UQMWVBRNPKQUTF-QWHCGFSZSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CN)C2)c1 ZINC000050245513 179195173 /nfs/dbraw/zinc/19/51/73/179195173.db2.gz UQMWVBRNPKQUTF-QWHCGFSZSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](CN)C2)c1 ZINC000050245513 179195175 /nfs/dbraw/zinc/19/51/75/179195175.db2.gz UQMWVBRNPKQUTF-QWHCGFSZSA-N 1 3 218.344 2.337 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000310484323 347289673 /nfs/dbraw/zinc/28/96/73/347289673.db2.gz DOKFLBYXWIJWGP-YRGRVCCFSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000310484323 347289676 /nfs/dbraw/zinc/28/96/76/347289676.db2.gz DOKFLBYXWIJWGP-YRGRVCCFSA-N 1 3 236.359 2.188 20 0 BEADHO Cc1ncc(CNC(C)(C)CCC[NH+](C)C)o1 ZINC000628299581 347427823 /nfs/dbraw/zinc/42/78/23/347427823.db2.gz TUMBHGRKGMERGF-UHFFFAOYSA-N 1 3 239.363 2.193 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000577214319 365884307 /nfs/dbraw/zinc/88/43/07/365884307.db2.gz AYZXYHNWBWRCOL-NXEZZACHSA-N 1 3 210.365 2.138 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356877080 187377040 /nfs/dbraw/zinc/37/70/40/187377040.db2.gz RVNCSHIRFXTCBH-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1nc(C)c([C@@H](C)NC[C@@H](C)C[NH3+])s1 ZINC000054345893 347770970 /nfs/dbraw/zinc/77/09/70/347770970.db2.gz YSEXKBLJRHFAAW-JGVFFNPUSA-N 1 3 227.377 2.005 20 0 BEADHO CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)s1 ZINC000308534177 323175202 /nfs/dbraw/zinc/17/52/02/323175202.db2.gz LUQOKQDCUQPPMG-BDAKNGLRSA-N 1 3 212.362 2.136 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+]CCCN)C[C@H]1C ZINC000336688767 187393323 /nfs/dbraw/zinc/39/33/23/187393323.db2.gz VUZUNMYFUOZYDT-AGIUHOORSA-N 1 3 212.381 2.386 20 0 BEADHO C1CC2(C1)C[C@@H]([NH2+]C1CCCC1)CCN2 ZINC000129779442 490169075 /nfs/dbraw/zinc/16/90/75/490169075.db2.gz RCEMGCWLUQAWRP-LBPRGKRZSA-N 1 3 208.349 2.193 20 0 BEADHO CCSC1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000596650116 348605243 /nfs/dbraw/zinc/60/52/43/348605243.db2.gz GURNUVWSIHAHOM-NEPJUHHUSA-N 1 3 242.432 2.250 20 0 BEADHO C[N@@H+]1CC[C@@H](N[C@H]2CSC2(C)C)CC1(C)C ZINC000623516293 362940666 /nfs/dbraw/zinc/94/06/66/362940666.db2.gz LVMNBSJQJPTDOK-MNOVXSKESA-N 1 3 242.432 2.343 20 0 BEADHO C[N@H+]1CC[C@@H](N[C@H]2CSC2(C)C)CC1(C)C ZINC000623516293 362940669 /nfs/dbraw/zinc/94/06/69/362940669.db2.gz LVMNBSJQJPTDOK-MNOVXSKESA-N 1 3 242.432 2.343 20 0 BEADHO CCc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000250453238 349171176 /nfs/dbraw/zinc/17/11/76/349171176.db2.gz ZVZJRIJMNSQSRI-MNOVXSKESA-N 1 3 238.400 2.480 20 0 BEADHO CC(C)[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530225899 323219140 /nfs/dbraw/zinc/21/91/40/323219140.db2.gz XZJLQYZVELGMEI-CHWSQXEVSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530225899 323219143 /nfs/dbraw/zinc/21/91/43/323219143.db2.gz XZJLQYZVELGMEI-CHWSQXEVSA-N 1 3 222.376 2.295 20 0 BEADHO CCc1nc(C)c(CN[C@@H](C)CCCC[NH3+])o1 ZINC000311852918 350042605 /nfs/dbraw/zinc/04/26/05/350042605.db2.gz PXRDIGZDHWHJCS-JTQLQIEISA-N 1 3 239.363 2.153 20 0 BEADHO Cc1nc([C@H](C)NC2CCC([NH3+])CC2)cs1 ZINC000051694000 180049302 /nfs/dbraw/zinc/04/93/02/180049302.db2.gz GPGIYESHMIAEAT-PUSIOWJLSA-N 1 3 239.388 2.372 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422722238 192442021 /nfs/dbraw/zinc/44/20/21/192442021.db2.gz XHLVEIOHEXDYKY-OUCADQQQSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000322568107 180220339 /nfs/dbraw/zinc/22/03/39/180220339.db2.gz FIGGPXKAFISTLS-GOOCMWNKSA-N 1 3 245.370 2.105 20 0 BEADHO Cc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422770624 192462070 /nfs/dbraw/zinc/46/20/70/192462070.db2.gz UYIRLGUQRYHJGZ-RYUDHWBXSA-N 1 3 206.333 2.210 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000309339125 350322722 /nfs/dbraw/zinc/32/27/22/350322722.db2.gz KHUMXFONCCFESO-LOWVWBTDSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309339125 350322727 /nfs/dbraw/zinc/32/27/27/350322727.db2.gz KHUMXFONCCFESO-LOWVWBTDSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000309339124 350322799 /nfs/dbraw/zinc/32/27/99/350322799.db2.gz KHUMXFONCCFESO-DMDPSCGWSA-N 1 3 238.400 2.267 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309339124 350322800 /nfs/dbraw/zinc/32/28/00/350322800.db2.gz KHUMXFONCCFESO-DMDPSCGWSA-N 1 3 238.400 2.267 20 0 BEADHO CC[C@H](CNCCC[NH2+]C)c1ccccc1 ZINC000163308371 350516893 /nfs/dbraw/zinc/51/68/93/350516893.db2.gz FQTZHEVQVMLYAP-CYBMUJFWSA-N 1 3 220.360 2.379 20 0 BEADHO CC[C@H](C[NH2+]CCCNC)c1ccccc1 ZINC000163308371 350516895 /nfs/dbraw/zinc/51/68/95/350516895.db2.gz FQTZHEVQVMLYAP-CYBMUJFWSA-N 1 3 220.360 2.379 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000252208252 350910530 /nfs/dbraw/zinc/91/05/30/350910530.db2.gz XNXSLOZZELLKER-UPJWGTAASA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CS[C@H](C)C2)C1 ZINC000252208252 350910532 /nfs/dbraw/zinc/91/05/32/350910532.db2.gz XNXSLOZZELLKER-UPJWGTAASA-N 1 3 242.432 2.200 20 0 BEADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CS[C@H](C)C2)C1 ZINC000252208252 350910534 /nfs/dbraw/zinc/91/05/34/350910534.db2.gz XNXSLOZZELLKER-UPJWGTAASA-N 1 3 242.432 2.200 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+]CCCNC1CC1 ZINC000382576733 350881225 /nfs/dbraw/zinc/88/12/25/350881225.db2.gz GNTVSXQZTFNTOA-GFCCVEGCSA-N 1 3 236.359 2.332 20 0 BEADHO C[C@H](CCc1ccco1)NCCC[NH2+]C1CC1 ZINC000382576733 350881228 /nfs/dbraw/zinc/88/12/28/350881228.db2.gz GNTVSXQZTFNTOA-GFCCVEGCSA-N 1 3 236.359 2.332 20 0 BEADHO C/C=C/CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000623739079 350884255 /nfs/dbraw/zinc/88/42/55/350884255.db2.gz HRYOVOWNFOZSSD-SNAWJCMRSA-N 1 3 248.370 2.293 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000577611605 366016967 /nfs/dbraw/zinc/01/69/67/366016967.db2.gz TWALEVYVDCCQEL-RNJOBUHISA-N 1 3 228.355 2.387 20 0 BEADHO C[N@@H+]1CC[C@@H](NCCc2ccoc2)CC1(C)C ZINC000623569727 362998853 /nfs/dbraw/zinc/99/88/53/362998853.db2.gz VBTHMYXKIVCFGW-CYBMUJFWSA-N 1 3 236.359 2.285 20 0 BEADHO C[N@H+]1CC[C@@H](NCCc2ccoc2)CC1(C)C ZINC000623569727 362998858 /nfs/dbraw/zinc/99/88/58/362998858.db2.gz VBTHMYXKIVCFGW-CYBMUJFWSA-N 1 3 236.359 2.285 20 0 BEADHO C[N@H+](CCCOc1ccccc1)C1CCNCC1 ZINC000036300797 358461616 /nfs/dbraw/zinc/46/16/16/358461616.db2.gz LJIAFSJEYMQXCZ-UHFFFAOYSA-N 1 3 248.370 2.139 20 0 BEADHO C[N@@H+](CCCOc1ccccc1)C1CCNCC1 ZINC000036300797 358461618 /nfs/dbraw/zinc/46/16/18/358461618.db2.gz LJIAFSJEYMQXCZ-UHFFFAOYSA-N 1 3 248.370 2.139 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCC1 ZINC000155845319 351543809 /nfs/dbraw/zinc/54/38/09/351543809.db2.gz XBZMINNYVZZJGS-QWHCGFSZSA-N 1 3 208.349 2.003 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC1CC1 ZINC000577740193 366049451 /nfs/dbraw/zinc/04/94/51/366049451.db2.gz NKPUCYADLDSTIU-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@H](CN(C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000637930616 351807067 /nfs/dbraw/zinc/80/70/67/351807067.db2.gz QGJLDQRSKIHSCS-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000637930616 351807069 /nfs/dbraw/zinc/80/70/69/351807069.db2.gz QGJLDQRSKIHSCS-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](CN1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000638131887 352001560 /nfs/dbraw/zinc/00/15/60/352001560.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](CN1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000638131887 352001562 /nfs/dbraw/zinc/00/15/62/352001562.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](C[N@@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000638131887 352001563 /nfs/dbraw/zinc/00/15/63/352001563.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[C@H](C[N@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000638131887 352001565 /nfs/dbraw/zinc/00/15/65/352001565.db2.gz FDSXJYKNRHGNFJ-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H](NC[C@H]1CC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000414899936 352174802 /nfs/dbraw/zinc/17/48/02/352174802.db2.gz CVPXMPBBNBEDCY-RDBSUJKOSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](c1ccccc1)[C@H](C)NC[C@H]1CC[NH2+]C1 ZINC000414899934 352175007 /nfs/dbraw/zinc/17/50/07/352175007.db2.gz CVPXMPBBNBEDCY-IHRRRGAJSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)CN1CCCC1 ZINC000638385754 352194746 /nfs/dbraw/zinc/19/47/46/352194746.db2.gz JWCDXUYCVIDJMV-WOPDTQHZSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](CN[C@@H](C)[C@@H]1CC1(F)F)C[NH+]1CCCC1 ZINC000638385754 352194748 /nfs/dbraw/zinc/19/47/48/352194748.db2.gz JWCDXUYCVIDJMV-WOPDTQHZSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[C@@H](CNC[C@@H]1CC[N@H+](CCC)C1)OC ZINC000638410035 352217333 /nfs/dbraw/zinc/21/73/33/352217333.db2.gz TYLJAJMWWOJSKD-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](CNC[C@@H]1CC[N@@H+](CCC)C1)OC ZINC000638410035 352217336 /nfs/dbraw/zinc/21/73/36/352217336.db2.gz TYLJAJMWWOJSKD-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@@H]1CCN(CCC)C1)OC ZINC000638410035 352217339 /nfs/dbraw/zinc/21/73/39/352217339.db2.gz TYLJAJMWWOJSKD-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@H]1CC[N@H+](CCC)C1)OC ZINC000638410038 352217491 /nfs/dbraw/zinc/21/74/91/352217491.db2.gz TYLJAJMWWOJSKD-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](CNC[C@H]1CC[N@@H+](CCC)C1)OC ZINC000638410038 352217493 /nfs/dbraw/zinc/21/74/93/352217493.db2.gz TYLJAJMWWOJSKD-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@H](C[NH2+]C[C@H]1CCN(CCC)C1)OC ZINC000638410038 352217496 /nfs/dbraw/zinc/21/74/96/352217496.db2.gz TYLJAJMWWOJSKD-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@@H](CC(C)C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414919519 352281906 /nfs/dbraw/zinc/28/19/06/352281906.db2.gz XFOOTZBQZNHTGY-KGLIPLIRSA-N 1 3 242.407 2.027 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414919519 352281909 /nfs/dbraw/zinc/28/19/09/352281909.db2.gz XFOOTZBQZNHTGY-KGLIPLIRSA-N 1 3 242.407 2.027 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CCCC[C@H]1OC ZINC000037211033 358470235 /nfs/dbraw/zinc/47/02/35/358470235.db2.gz MFJYQWWYRRLRNP-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CCCC[C@H]1OC ZINC000037211033 358470240 /nfs/dbraw/zinc/47/02/40/358470240.db2.gz MFJYQWWYRRLRNP-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1cccc(CNC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000044535126 352351909 /nfs/dbraw/zinc/35/19/09/352351909.db2.gz SROFFZXXOCXQIP-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1cccc(CNC[C@H]2CCC[N@H+](C)C2)c1 ZINC000044535126 352351913 /nfs/dbraw/zinc/35/19/13/352351913.db2.gz SROFFZXXOCXQIP-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO CC(C)C[C@@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304514174 188076663 /nfs/dbraw/zinc/07/66/63/188076663.db2.gz DSHXKISDGOSVPJ-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+]1CCC[C@@H](CNCc2ccccc2)C1 ZINC000044534111 188123489 /nfs/dbraw/zinc/12/34/89/188123489.db2.gz ACWIQGVZQNTNBK-AWEZNQCLSA-N 1 3 218.344 2.118 20 0 BEADHO C[N@H+]1CCC[C@@H](CNCc2ccccc2)C1 ZINC000044534111 188123491 /nfs/dbraw/zinc/12/34/91/188123491.db2.gz ACWIQGVZQNTNBK-AWEZNQCLSA-N 1 3 218.344 2.118 20 0 BEADHO C1C[C@@H]([NH2+][C@H]2CCNC2)C2(C1)CCCCC2 ZINC000313024764 188154269 /nfs/dbraw/zinc/15/42/69/188154269.db2.gz NKXDUEBTVUIQCV-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309453283 188168030 /nfs/dbraw/zinc/16/80/30/188168030.db2.gz LRSCGKMXJPJZFR-MCIONIFRSA-N 1 3 222.376 2.415 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309453283 188168031 /nfs/dbraw/zinc/16/80/31/188168031.db2.gz LRSCGKMXJPJZFR-MCIONIFRSA-N 1 3 222.376 2.415 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309453285 188168745 /nfs/dbraw/zinc/16/87/45/188168745.db2.gz LRSCGKMXJPJZFR-MGPQQGTHSA-N 1 3 222.376 2.415 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309453285 188168746 /nfs/dbraw/zinc/16/87/46/188168746.db2.gz LRSCGKMXJPJZFR-MGPQQGTHSA-N 1 3 222.376 2.415 20 0 BEADHO CC(C)([NH3+])CNc1ccnc2ccccc21 ZINC000095936709 188147925 /nfs/dbraw/zinc/14/79/25/188147925.db2.gz AXSCDWMDNZVKDO-UHFFFAOYSA-N 1 3 215.300 2.384 20 0 BEADHO CC[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000070613872 353260625 /nfs/dbraw/zinc/26/06/25/353260625.db2.gz VCLMMGRARILWOS-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000251791575 353288188 /nfs/dbraw/zinc/28/81/88/353288188.db2.gz NLMVPNGWBMQFEC-UMVBOHGHSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000251791575 353288191 /nfs/dbraw/zinc/28/81/91/353288191.db2.gz NLMVPNGWBMQFEC-UMVBOHGHSA-N 1 3 232.371 2.459 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)c1ccccc1 ZINC000251791575 353288194 /nfs/dbraw/zinc/28/81/94/353288194.db2.gz NLMVPNGWBMQFEC-UMVBOHGHSA-N 1 3 232.371 2.459 20 0 BEADHO CC(C)(C)[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000252876160 353313213 /nfs/dbraw/zinc/31/32/13/353313213.db2.gz WCENZTRHPDZKQW-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)(C)[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000252876160 353313215 /nfs/dbraw/zinc/31/32/15/353313215.db2.gz WCENZTRHPDZKQW-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@@](C)(CN)[NH2+]Cc1cncc(Cl)c1 ZINC000307976560 353373757 /nfs/dbraw/zinc/37/37/57/353373757.db2.gz LQGVFQSZJCFLOU-GFCCVEGCSA-N 1 3 241.766 2.198 20 0 BEADHO CC(C)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000232540562 353732877 /nfs/dbraw/zinc/73/28/77/353732877.db2.gz MQKKMWKSATVTFO-CQSZACIVSA-N 1 3 224.392 2.354 20 0 BEADHO Fc1cccc2c1CCN(CC1CC[NH2+]CC1)C2 ZINC000336433615 181005406 /nfs/dbraw/zinc/00/54/06/181005406.db2.gz DSZZRPKCYKLMIP-UHFFFAOYSA-N 1 3 248.345 2.183 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@@H](CC(C)C)OC ZINC000639175270 354194126 /nfs/dbraw/zinc/19/41/26/354194126.db2.gz KDZGVXZETPVWKV-CQSZACIVSA-N 1 3 244.423 2.321 20 0 BEADHO CCCC[C@@H](COC)[NH2+]CC1=CCN(C)CC1 ZINC000344281012 354200548 /nfs/dbraw/zinc/20/05/48/354200548.db2.gz ABKJBSMKRUYMPN-AWEZNQCLSA-N 1 3 240.391 2.043 20 0 BEADHO CCC[C@H](CN(CC)CCC[NH+](C)C)OC ZINC000639175922 354210494 /nfs/dbraw/zinc/21/04/94/354210494.db2.gz RMTHBDRQEODSHV-CYBMUJFWSA-N 1 3 230.396 2.075 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CCC1(F)F ZINC000334685096 354430792 /nfs/dbraw/zinc/43/07/92/354430792.db2.gz VNEDBJLLOZSNGF-VXGBXAGGSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CCC1(F)F ZINC000334685096 354430794 /nfs/dbraw/zinc/43/07/94/354430794.db2.gz VNEDBJLLOZSNGF-VXGBXAGGSA-N 1 3 246.345 2.448 20 0 BEADHO Cc1cc(Cl)ccc1CN[C@@H](C)CC[NH3+] ZINC000235087715 363437484 /nfs/dbraw/zinc/43/74/84/363437484.db2.gz GBMCJVRXFAIKST-JTQLQIEISA-N 1 3 226.751 2.475 20 0 BEADHO C[C@H](CCN)[NH2+]C[C@@H](C)c1ccccc1 ZINC000235440527 363443879 /nfs/dbraw/zinc/44/38/79/363443879.db2.gz HABCSHOUUAXSHL-VXGBXAGGSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@H](CN)[NH2+][C@@H]1CCSc2ccccc21 ZINC000235460658 363444658 /nfs/dbraw/zinc/44/46/58/363444658.db2.gz OJXIKAGQLQROLJ-MWLCHTKSSA-N 1 3 222.357 2.160 20 0 BEADHO C[C@H]1C[C@H]1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000335204528 355039678 /nfs/dbraw/zinc/03/96/78/355039678.db2.gz NZPLRDGYJWCREB-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H]1C[C@H]1C[N@H+]1CCCC12CCN(C)CC2 ZINC000335204528 355039680 /nfs/dbraw/zinc/03/96/80/355039680.db2.gz NZPLRDGYJWCREB-STQMWFEESA-N 1 3 222.376 2.203 20 0 BEADHO CC(CN1CC[C@H](C)C1)C[N@@H+]1CC[C@H](C)C1 ZINC000346638028 355015638 /nfs/dbraw/zinc/01/56/38/355015638.db2.gz GKFVRKBZCKOGFZ-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO CC(CN1CC[C@H](C)C1)C[N@H+]1CC[C@H](C)C1 ZINC000346638028 355015639 /nfs/dbraw/zinc/01/56/39/355015639.db2.gz GKFVRKBZCKOGFZ-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO c1ccc2c(c1)CCC([NH2+]C1CCNCC1)CC2 ZINC000335181917 355079816 /nfs/dbraw/zinc/07/98/16/355079816.db2.gz WIXLGJKXQOWUOI-UHFFFAOYSA-N 1 3 244.382 2.276 20 0 BEADHO CCC[N@H+](C[C@H]1CCCCO1)CC(C)(C)N ZINC000346844122 355134241 /nfs/dbraw/zinc/13/42/41/355134241.db2.gz KWICOHMLBRHDRW-GFCCVEGCSA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](C[C@H]1CCCCO1)CC(C)(C)N ZINC000346844122 355134244 /nfs/dbraw/zinc/13/42/44/355134244.db2.gz KWICOHMLBRHDRW-GFCCVEGCSA-N 1 3 228.380 2.005 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)[C@@H]2CCCC[C@H]21 ZINC000347008687 355202943 /nfs/dbraw/zinc/20/29/43/355202943.db2.gz RVOZTYNRKJMBFL-APIJFGDWSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@@H]2CCCC[C@H]21 ZINC000347008687 355202945 /nfs/dbraw/zinc/20/29/45/355202945.db2.gz RVOZTYNRKJMBFL-APIJFGDWSA-N 1 3 236.403 2.497 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H]1CS[C@@H](C)C1 ZINC000639290070 355444615 /nfs/dbraw/zinc/44/46/15/355444615.db2.gz PTSRBDLLOLSHAA-STQMWFEESA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CS[C@@H](C)C1 ZINC000639290070 355444619 /nfs/dbraw/zinc/44/46/19/355444619.db2.gz PTSRBDLLOLSHAA-STQMWFEESA-N 1 3 244.448 2.448 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639290070 355444623 /nfs/dbraw/zinc/44/46/23/355444623.db2.gz PTSRBDLLOLSHAA-STQMWFEESA-N 1 3 244.448 2.448 20 0 BEADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414791946 191569415 /nfs/dbraw/zinc/56/94/15/191569415.db2.gz BPJPLTVQZCNKAW-RDBSUJKOSA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)(C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825667 191587612 /nfs/dbraw/zinc/58/76/12/191587612.db2.gz HLWHLTCIPNIQRE-FOSCPWQOSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]CCCCNCc1cc(Cl)ccc1F ZINC000162957108 491079721 /nfs/dbraw/zinc/07/97/21/491079721.db2.gz TXHNPQSAGAIJHX-UHFFFAOYSA-N 1 3 230.714 2.308 20 0 BEADHO [NH3+]CCCCNCc1ccc(Cl)cc1F ZINC000162956983 491079730 /nfs/dbraw/zinc/07/97/30/491079730.db2.gz XNZBRUNCSKMTET-UHFFFAOYSA-N 1 3 230.714 2.308 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CCC(C)C ZINC000414849306 191600166 /nfs/dbraw/zinc/60/01/66/191600166.db2.gz XYWVNZCDJZGWSU-VXGBXAGGSA-N 1 3 200.370 2.256 20 0 BEADHO Cc1ccoc1CN1CCC(C[NH+](C)C)CC1 ZINC000350141381 355613604 /nfs/dbraw/zinc/61/36/04/355613604.db2.gz BTVTULHQGDOSNW-UHFFFAOYSA-N 1 3 236.359 2.362 20 0 BEADHO C[N@@H+]1CC[C@]2(CCN([C@H]3C=CCCC3)C2)C1 ZINC000335887759 355679567 /nfs/dbraw/zinc/67/95/67/355679567.db2.gz CFBLXFVFIGLAGK-KBPBESRZSA-N 1 3 220.360 2.123 20 0 BEADHO C[N@H+]1CC[C@]2(CCN([C@H]3C=CCCC3)C2)C1 ZINC000335887759 355679570 /nfs/dbraw/zinc/67/95/70/355679570.db2.gz CFBLXFVFIGLAGK-KBPBESRZSA-N 1 3 220.360 2.123 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CC1(F)F ZINC000639347484 355794184 /nfs/dbraw/zinc/79/41/84/355794184.db2.gz ODVUMYZZZGKQRS-SDDRHHMPSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)[C@H]1CC1(F)F ZINC000639347484 355794189 /nfs/dbraw/zinc/79/41/89/355794189.db2.gz ODVUMYZZZGKQRS-SDDRHHMPSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639347484 355794192 /nfs/dbraw/zinc/79/41/92/355794192.db2.gz ODVUMYZZZGKQRS-SDDRHHMPSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CC1(F)F ZINC000639347483 355794209 /nfs/dbraw/zinc/79/42/09/355794209.db2.gz ODVUMYZZZGKQRS-QJPTWQEYSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)[C@H]1CC1(F)F ZINC000639347483 355794211 /nfs/dbraw/zinc/79/42/11/355794211.db2.gz ODVUMYZZZGKQRS-QJPTWQEYSA-N 1 3 246.345 2.352 20 0 BEADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)[C@H]1CC1(F)F ZINC000639347483 355794215 /nfs/dbraw/zinc/79/42/15/355794215.db2.gz ODVUMYZZZGKQRS-QJPTWQEYSA-N 1 3 246.345 2.352 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)OC ZINC000639347803 355794678 /nfs/dbraw/zinc/79/46/78/355794678.db2.gz QYOUJVSKGRARKJ-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](CNC[C@@H]1CCCC[N@H+](C)C1)OC ZINC000639347803 355794679 /nfs/dbraw/zinc/79/46/79/355794679.db2.gz QYOUJVSKGRARKJ-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](CNC[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639347803 355794682 /nfs/dbraw/zinc/79/46/82/355794682.db2.gz QYOUJVSKGRARKJ-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC1([NH+](C)C)CCN(CC(C)C)CC1 ZINC000639379852 355915428 /nfs/dbraw/zinc/91/54/28/355915428.db2.gz RXPNMMRESLAEFF-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO CCC1(N(C)C)CC[NH+](CC(C)C)CC1 ZINC000639379852 355915430 /nfs/dbraw/zinc/91/54/30/355915430.db2.gz RXPNMMRESLAEFF-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C/C=C/c1ccccc1 ZINC000216193728 355925408 /nfs/dbraw/zinc/92/54/08/355925408.db2.gz FLAIQOKFGJKICM-JGOVJGDKSA-N 1 3 230.355 2.369 20 0 BEADHO C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CCC[NH2+]1 ZINC000216495235 355996686 /nfs/dbraw/zinc/99/66/86/355996686.db2.gz YYEHWKSTTLJKKR-BPHCLYMKSA-N 1 3 234.387 2.153 20 0 BEADHO C([NH2+]C1C2CC3CC(C2)CC1C3)[C@@H]1CCCN1 ZINC000216495235 355996688 /nfs/dbraw/zinc/99/66/88/355996688.db2.gz YYEHWKSTTLJKKR-BPHCLYMKSA-N 1 3 234.387 2.153 20 0 BEADHO [NH3+]CCCN[C@@H](c1ccccc1)C1CCC1 ZINC000420297924 192204701 /nfs/dbraw/zinc/20/47/01/192204701.db2.gz GPRLUNGIMPKXHF-AWEZNQCLSA-N 1 3 218.344 2.466 20 0 BEADHO CC[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000420300990 192207018 /nfs/dbraw/zinc/20/70/18/192207018.db2.gz ABEHWVCBGQZIDF-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CC[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000420300990 192207021 /nfs/dbraw/zinc/20/70/21/192207021.db2.gz ABEHWVCBGQZIDF-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO COc1ccccc1CCCN(C)C1CC([NH3+])C1 ZINC000420344001 192215885 /nfs/dbraw/zinc/21/58/85/192215885.db2.gz XOSHHWWZXDXRPN-UHFFFAOYSA-N 1 3 248.370 2.049 20 0 BEADHO FCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420353209 192217706 /nfs/dbraw/zinc/21/77/06/192217706.db2.gz AWIPWJCWBVNYKN-CYBMUJFWSA-N 1 3 228.355 2.202 20 0 BEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000420306610 192209698 /nfs/dbraw/zinc/20/96/98/192209698.db2.gz QNBBTOONRRNWPM-GXTWGEPZSA-N 1 3 248.370 2.222 20 0 BEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000420306610 192209699 /nfs/dbraw/zinc/20/96/99/192209699.db2.gz QNBBTOONRRNWPM-GXTWGEPZSA-N 1 3 248.370 2.222 20 0 BEADHO [NH3+]CCCN[C@H]1CCCc2ccc(F)cc21 ZINC000420309101 192209988 /nfs/dbraw/zinc/20/99/88/192209988.db2.gz OFQXELYXYJXXEY-ZDUSSCGKSA-N 1 3 222.307 2.142 20 0 BEADHO CN(CCCc1ccsc1)C1CC([NH3+])C1 ZINC000420325364 192229136 /nfs/dbraw/zinc/22/91/36/192229136.db2.gz DBFSRKASAXHFEX-UHFFFAOYSA-N 1 3 224.373 2.102 20 0 BEADHO CC(C)CCOCCN[C@H](C[NH3+])C(C)(C)C ZINC000420368123 192225134 /nfs/dbraw/zinc/22/51/34/192225134.db2.gz UCSUDZQZQJZICQ-GFCCVEGCSA-N 1 3 230.396 2.012 20 0 BEADHO CC(C)CCOCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420368125 192225708 /nfs/dbraw/zinc/22/57/08/192225708.db2.gz UCSUDZQZQJZICQ-LBPRGKRZSA-N 1 3 230.396 2.012 20 0 BEADHO C[NH2+]CCCN(C)CCCC1CCCC1 ZINC000420393618 192236186 /nfs/dbraw/zinc/23/61/86/192236186.db2.gz YDCKHJOXMKEBGW-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CNCCC[N@H+](C)CCCC1CCCC1 ZINC000420393618 192236188 /nfs/dbraw/zinc/23/61/88/192236188.db2.gz YDCKHJOXMKEBGW-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CNCCC[N@@H+](C)CCCC1CCCC1 ZINC000420393618 192236190 /nfs/dbraw/zinc/23/61/90/192236190.db2.gz YDCKHJOXMKEBGW-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CCSCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420396048 192237182 /nfs/dbraw/zinc/23/71/82/192237182.db2.gz LMJMOSBNDFBCIT-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000420417330 192241315 /nfs/dbraw/zinc/24/13/15/192241315.db2.gz WJVMFVFYXCDKBC-TUAOUCFPSA-N 1 3 206.333 2.115 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1F ZINC000420415726 192241386 /nfs/dbraw/zinc/24/13/86/192241386.db2.gz VDEJXEXJHUWWKI-VHSXEESVSA-N 1 3 210.296 2.132 20 0 BEADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(OC(F)F)cc1 ZINC000420381002 192233568 /nfs/dbraw/zinc/23/35/68/192233568.db2.gz XFFGTOQRUBJVPC-DTWKUNHWSA-N 1 3 244.285 2.286 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422937759 192511768 /nfs/dbraw/zinc/51/17/68/192511768.db2.gz OPWOBFKZMOXHQJ-YPMHNXCESA-N 1 3 222.376 2.154 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCCC(F)(F)C1 ZINC000422986614 192519662 /nfs/dbraw/zinc/51/96/62/192519662.db2.gz CWTQPLXCCOXENH-AEJSXWLSSA-N 1 3 218.291 2.034 20 0 BEADHO CCc1cc(NCC[N@@H+](CC)C(C)C)ccn1 ZINC000450302295 202123665 /nfs/dbraw/zinc/12/36/65/202123665.db2.gz HIYMYCYWXXHFNI-UHFFFAOYSA-N 1 3 235.375 2.208 20 0 BEADHO CCc1cc(NCC[N@H+](CC)C(C)C)ccn1 ZINC000450302295 202123669 /nfs/dbraw/zinc/12/36/69/202123669.db2.gz HIYMYCYWXXHFNI-UHFFFAOYSA-N 1 3 235.375 2.208 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000381390368 356691029 /nfs/dbraw/zinc/69/10/29/356691029.db2.gz NYXUNEYPERYAFS-BFHYXJOUSA-N 1 3 224.392 2.495 20 0 BEADHO C[NH+](C)C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000450408143 202156253 /nfs/dbraw/zinc/15/62/53/202156253.db2.gz VFBVJJBRAKYHHP-RYUDHWBXSA-N 1 3 246.345 2.305 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779056 356725780 /nfs/dbraw/zinc/72/57/80/356725780.db2.gz WYRWRDBXFUZIOY-KBPBESRZSA-N 1 3 248.374 2.031 20 0 BEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639779056 356725781 /nfs/dbraw/zinc/72/57/81/356725781.db2.gz WYRWRDBXFUZIOY-KBPBESRZSA-N 1 3 248.374 2.031 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccco2)CC1(C)C ZINC000623338586 356734258 /nfs/dbraw/zinc/73/42/58/356734258.db2.gz HIAVSTBRMZSYSD-LBPRGKRZSA-N 1 3 236.359 2.285 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccco2)CC1(C)C ZINC000623338586 356734259 /nfs/dbraw/zinc/73/42/59/356734259.db2.gz HIAVSTBRMZSYSD-LBPRGKRZSA-N 1 3 236.359 2.285 20 0 BEADHO CCc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc[nH+]1 ZINC000450543014 202192729 /nfs/dbraw/zinc/19/27/29/202192729.db2.gz IXLUZJMVMJZHMV-TXEJJXNPSA-N 1 3 233.359 2.173 20 0 BEADHO CCCCOCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623383435 356907188 /nfs/dbraw/zinc/90/71/88/356907188.db2.gz UHLYAEYHBUCAFG-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO CCCCOCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623383435 356907193 /nfs/dbraw/zinc/90/71/93/356907193.db2.gz UHLYAEYHBUCAFG-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](NCC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000423190175 192616992 /nfs/dbraw/zinc/61/69/92/192616992.db2.gz SBTXYYAFDGZOHH-ZJUUUORDSA-N 1 3 226.751 2.380 20 0 BEADHO Cc1cccc([C@H](C)[NH2+]CC(C)(C)N)c1 ZINC000389747846 357022559 /nfs/dbraw/zinc/02/25/59/357022559.db2.gz YAWDZARAVJPXAA-NSHDSACASA-N 1 3 206.333 2.383 20 0 BEADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2(C)CC2)C1 ZINC000389984731 357079007 /nfs/dbraw/zinc/07/90/07/357079007.db2.gz LJOGETHPNYEUDO-RYUDHWBXSA-N 1 3 210.365 2.249 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCOCc2ccccc2)C1 ZINC000390229027 357086767 /nfs/dbraw/zinc/08/67/67/357086767.db2.gz FEJGJJIPPWAFEH-LSDHHAIUSA-N 1 3 248.370 2.063 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000390872666 357119170 /nfs/dbraw/zinc/11/91/70/357119170.db2.gz POUWKOKRRMDEJJ-GMTAPVOTSA-N 1 3 232.318 2.281 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCC2(F)F)C1 ZINC000390872666 357119172 /nfs/dbraw/zinc/11/91/72/357119172.db2.gz POUWKOKRRMDEJJ-GMTAPVOTSA-N 1 3 232.318 2.281 20 0 BEADHO CCN1CC[C@@H]([NH2+]CC(C)(C)F)[C@@H](C)C1 ZINC000631659607 357190190 /nfs/dbraw/zinc/19/01/90/357190190.db2.gz RZNPZROMJYUSDJ-WDEREUQCSA-N 1 3 216.344 2.054 20 0 BEADHO Cc1ccsc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000582915654 357434936 /nfs/dbraw/zinc/43/49/36/357434936.db2.gz IJSIHIILWSZDFG-NEPJUHHUSA-N 1 3 238.400 2.459 20 0 BEADHO Cc1ccsc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582915654 357434941 /nfs/dbraw/zinc/43/49/41/357434941.db2.gz IJSIHIILWSZDFG-NEPJUHHUSA-N 1 3 238.400 2.459 20 0 BEADHO Cc1cc(C[NH2+][C@H](C)[C@H](C)N)c(C)s1 ZINC000582952022 357443869 /nfs/dbraw/zinc/44/38/69/357443869.db2.gz BPWDKRUKRKFMDT-DTWKUNHWSA-N 1 3 212.362 2.190 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC(F)(F)F ZINC000063099442 357526069 /nfs/dbraw/zinc/52/60/69/357526069.db2.gz SFDKIKCLOXLEAA-BBBLOLIVSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC(F)(F)F ZINC000063099442 357526073 /nfs/dbraw/zinc/52/60/73/357526073.db2.gz SFDKIKCLOXLEAA-BBBLOLIVSA-N 1 3 238.297 2.257 20 0 BEADHO CC1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000168698550 538879361 /nfs/dbraw/zinc/87/93/61/538879361.db2.gz MWAJVHMXEGSCOA-OTTFEQOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CCC1CCCC1)[NH2+]CC1CNC1 ZINC000423302746 192691440 /nfs/dbraw/zinc/69/14/40/192691440.db2.gz KFTNCDPNKVYBHE-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)C[C@H](C)C[NH2+][C@H](C)C[C@H](C)N ZINC000583812565 357959867 /nfs/dbraw/zinc/95/98/67/357959867.db2.gz KXEAUNGGIIBUBD-SDDRHHMPSA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000229692398 491119228 /nfs/dbraw/zinc/11/92/28/491119228.db2.gz HRPADKIECJKYNH-GXTWGEPZSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H](Cc1cccs1)N[C@H]1CCC[NH2+]CC1 ZINC000168723910 134247244 /nfs/dbraw/zinc/24/72/44/134247244.db2.gz ROZVKNNGDLVYSZ-NEPJUHHUSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCNCC1 ZINC000168723910 134247245 /nfs/dbraw/zinc/24/72/45/134247245.db2.gz ROZVKNNGDLVYSZ-NEPJUHHUSA-N 1 3 238.400 2.411 20 0 BEADHO CCC1(N(C)C)CC[NH+]([C@@H](C)CCOC)CC1 ZINC000640017303 358080379 /nfs/dbraw/zinc/08/03/79/358080379.db2.gz LVHGTJMICKNWTA-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)C[C@H](N)C[NH+]1CCc2ccccc2CC1 ZINC000079574276 358107158 /nfs/dbraw/zinc/10/71/58/358107158.db2.gz AKCKUIDBIWHJGJ-INIZCTEOSA-N 1 3 246.398 2.461 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000086402322 491123834 /nfs/dbraw/zinc/12/38/34/491123834.db2.gz HBOSQUMJIVJVSP-VXGBXAGGSA-N 1 3 208.349 2.035 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCCCCOC)C1 ZINC000173924572 134276480 /nfs/dbraw/zinc/27/64/80/134276480.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCOC)C1 ZINC000173924572 134276481 /nfs/dbraw/zinc/27/64/81/134276481.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCCCCOC)C1 ZINC000173924572 134276482 /nfs/dbraw/zinc/27/64/82/134276482.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC000173924572 134276483 /nfs/dbraw/zinc/27/64/83/134276483.db2.gz WPDOTTRXRMDAHK-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO C[C@@H]1CCCN1CCC[N@@H+]1CCC[C@@H]1C ZINC000173989117 134277416 /nfs/dbraw/zinc/27/74/16/134277416.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1CCCN1CCC[N@H+]1CCC[C@@H]1C ZINC000173989117 134277417 /nfs/dbraw/zinc/27/74/17/134277417.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1CCC[N@H+]1CCCN1CCC[C@@H]1C ZINC000173989117 134277418 /nfs/dbraw/zinc/27/74/18/134277418.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H]1CCC[N@@H+]1CCCN1CCC[C@@H]1C ZINC000173989117 134277419 /nfs/dbraw/zinc/27/74/19/134277419.db2.gz FVXDOWTUIMMQKR-BETUJISGSA-N 1 3 210.365 2.345 20 0 BEADHO CCCC[NH+]1CCC(N[C@H](C)[C@@H](C)OC)CC1 ZINC000130019139 358605447 /nfs/dbraw/zinc/60/54/47/358605447.db2.gz GLZWZSKOLHBPGA-CHWSQXEVSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000131597180 358684655 /nfs/dbraw/zinc/68/46/55/358684655.db2.gz OOXZVUSMUMBUDU-ZIAGYGMSSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCOc1ccccc1 ZINC000131597180 358684657 /nfs/dbraw/zinc/68/46/57/358684657.db2.gz OOXZVUSMUMBUDU-ZIAGYGMSSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCOc1ccccc1 ZINC000131597180 358684659 /nfs/dbraw/zinc/68/46/59/358684659.db2.gz OOXZVUSMUMBUDU-ZIAGYGMSSA-N 1 3 248.370 2.125 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN ZINC000423312777 192700023 /nfs/dbraw/zinc/70/00/23/192700023.db2.gz VSFXWEFRBNKUSP-ZFWWWQNUSA-N 1 3 234.387 2.438 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000423313956 192701861 /nfs/dbraw/zinc/70/18/61/192701861.db2.gz XMGKBPHKAXJDBS-JURCDPSOSA-N 1 3 232.371 2.363 20 0 BEADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423321642 192705927 /nfs/dbraw/zinc/70/59/27/192705927.db2.gz NGLQUBYRIBYECH-SMDDNHRTSA-N 1 3 218.344 2.383 20 0 BEADHO CCC1(CC)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000087255325 359904057 /nfs/dbraw/zinc/90/40/57/359904057.db2.gz RHFJMOYJTULALP-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1cscn1 ZINC000578756848 366639924 /nfs/dbraw/zinc/63/99/24/366639924.db2.gz YMXWLPAYEUHOJH-MNOVXSKESA-N 1 3 239.388 2.183 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](F)C2)C1 ZINC000578787451 366650585 /nfs/dbraw/zinc/65/05/85/366650585.db2.gz PEOVDXUUAZIOMO-USZNOCQGSA-N 1 3 214.328 2.127 20 0 BEADHO COCc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089150223 359993903 /nfs/dbraw/zinc/99/39/03/359993903.db2.gz BWKLLHWGOGOJMA-GJZGRUSLSA-N 1 3 248.370 2.050 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000089150543 359994137 /nfs/dbraw/zinc/99/41/37/359994137.db2.gz JERVFUSNRQGWOZ-DZGCQCFKSA-N 1 3 248.370 2.173 20 0 BEADHO COCc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000089149878 359994145 /nfs/dbraw/zinc/99/41/45/359994145.db2.gz ZCGAEWAIUHBVFQ-SWLSCSKDSA-N 1 3 248.370 2.050 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000089150406 359994261 /nfs/dbraw/zinc/99/42/61/359994261.db2.gz VFKMFTFOCZBGEG-GWCFXTLKSA-N 1 3 240.297 2.182 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772697 360086320 /nfs/dbraw/zinc/08/63/20/360086320.db2.gz VUZHWDSIQVJVQA-UONOGXRCSA-N 1 3 234.387 2.393 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772697 360086323 /nfs/dbraw/zinc/08/63/23/360086323.db2.gz VUZHWDSIQVJVQA-UONOGXRCSA-N 1 3 234.387 2.393 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1(C2CC2)CC1 ZINC000090772697 360086326 /nfs/dbraw/zinc/08/63/26/360086326.db2.gz VUZHWDSIQVJVQA-UONOGXRCSA-N 1 3 234.387 2.393 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+]CC1=CCN(C)CC1 ZINC000309520315 491149890 /nfs/dbraw/zinc/14/98/90/491149890.db2.gz ZUZGMZOPDKTBHU-LBPRGKRZSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000414882297 200774007 /nfs/dbraw/zinc/77/40/07/200774007.db2.gz TXWAMIURNVDRHG-IUCAKERBSA-N 1 3 226.286 2.292 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629408238 361057594 /nfs/dbraw/zinc/05/75/94/361057594.db2.gz SDAQRKIVWSXRRG-UMSGYPCISA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000629409343 361057672 /nfs/dbraw/zinc/05/76/72/361057672.db2.gz QLCFCVGOBWXTGT-RWMBFGLXSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CC1CCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410505 361059509 /nfs/dbraw/zinc/05/95/09/361059509.db2.gz FWKMWWUYEWKQIP-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000629408343 361059643 /nfs/dbraw/zinc/05/96/43/361059643.db2.gz UBXUDVPATKCRMD-SCUASFONSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000629408444 361059742 /nfs/dbraw/zinc/05/97/42/361059742.db2.gz VHHJOFRBSDXDGT-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cccc2c1C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CO2 ZINC000629513162 361110309 /nfs/dbraw/zinc/11/03/09/361110309.db2.gz FMJCENGYULFGEW-AGIUHOORSA-N 1 3 248.370 2.014 20 0 BEADHO CCC[C@H](C)CCC[N@H+](C)CCCN ZINC000629515007 361112157 /nfs/dbraw/zinc/11/21/57/361112157.db2.gz OTOYFQQLSMUJJE-LBPRGKRZSA-N 1 3 200.370 2.483 20 0 BEADHO CCC[C@H](C)CCC[N@@H+](C)CCCN ZINC000629515007 361112159 /nfs/dbraw/zinc/11/21/59/361112159.db2.gz OTOYFQQLSMUJJE-LBPRGKRZSA-N 1 3 200.370 2.483 20 0 BEADHO CCC[C@H](C)CCCN(C)CCC[NH3+] ZINC000629515007 361112164 /nfs/dbraw/zinc/11/21/64/361112164.db2.gz OTOYFQQLSMUJJE-LBPRGKRZSA-N 1 3 200.370 2.483 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000629527487 361131115 /nfs/dbraw/zinc/13/11/15/361131115.db2.gz WYNDXVURJKPHEE-WHOHXGKFSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CCC1CC1 ZINC000629526952 361131558 /nfs/dbraw/zinc/13/15/58/361131558.db2.gz FVDANOFZHOXHJU-WCFLWFBJSA-N 1 3 210.365 2.295 20 0 BEADHO CCO[C@H](C[N@@H+]1CCCC[C@H]1CCN)C1CC1 ZINC000629531657 361148818 /nfs/dbraw/zinc/14/88/18/361148818.db2.gz SUIWLOSJSLONAX-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO CCO[C@H](C[N@H+]1CCCC[C@H]1CCN)C1CC1 ZINC000629531657 361148823 /nfs/dbraw/zinc/14/88/23/361148823.db2.gz SUIWLOSJSLONAX-UONOGXRCSA-N 1 3 240.391 2.005 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043845 370675289 /nfs/dbraw/zinc/67/52/89/370675289.db2.gz NNAKMAUQVPWRGI-HBNTYKKESA-N 1 3 232.318 2.139 20 0 BEADHO CO[C@@H](c1ccccc1)[C@H](C)NCC[C@H](C)[NH3+] ZINC000622044840 370676739 /nfs/dbraw/zinc/67/67/39/370676739.db2.gz UVNZJBCRKUMVQD-SGMGOOAPSA-N 1 3 236.359 2.090 20 0 BEADHO NC1(C[NH2+][C@@H]2CCc3c2cccc3F)CCC1 ZINC000336250777 181332194 /nfs/dbraw/zinc/33/21/94/181332194.db2.gz SKPQENYLPHVTRZ-CYBMUJFWSA-N 1 3 234.318 2.284 20 0 BEADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H]2C[C@H]2C1 ZINC000629537528 361401268 /nfs/dbraw/zinc/40/12/68/361401268.db2.gz KZRMLNNIWGKVDJ-ITGHMWBKSA-N 1 3 222.376 2.282 20 0 BEADHO Cc1ccc([C@@H](C)NCCOCCC[NH3+])cc1 ZINC000629539755 361401301 /nfs/dbraw/zinc/40/13/01/361401301.db2.gz NRFMTXMWXUHFPH-CYBMUJFWSA-N 1 3 236.359 2.011 20 0 BEADHO C[C@@H]1C[C@@H](NCCOCCC[NH3+])c2ccccc21 ZINC000629535357 361410075 /nfs/dbraw/zinc/41/00/75/361410075.db2.gz BZTOIDBNKDDIAQ-IUODEOHRSA-N 1 3 248.370 2.190 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000629545286 361425704 /nfs/dbraw/zinc/42/57/04/361425704.db2.gz BSUQRLPYQVSKAV-FIQHERPVSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1NC1[C@@H](C)CCC[C@@H]1C ZINC000629545286 361425707 /nfs/dbraw/zinc/42/57/07/361425707.db2.gz BSUQRLPYQVSKAV-FIQHERPVSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000629546807 361427477 /nfs/dbraw/zinc/42/74/77/361427477.db2.gz QBMTXZAWZOOYET-SJHCENCUSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCC12CC2 ZINC000629555066 361435460 /nfs/dbraw/zinc/43/54/60/361435460.db2.gz QUFKRCRIJKRNOK-SDDRHHMPSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555068 361435745 /nfs/dbraw/zinc/43/57/45/361435745.db2.gz QUFKRCRIJKRNOK-TUAOUCFPSA-N 1 3 210.365 2.282 20 0 BEADHO c1ccc(C[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3)C2)cc1 ZINC000629553262 361437699 /nfs/dbraw/zinc/43/76/99/361437699.db2.gz SPDZRFKCYIEFBF-OWCLPIDISA-N 1 3 244.382 2.349 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629553319 361438721 /nfs/dbraw/zinc/43/87/21/361438721.db2.gz JCLYVLMQJXVSEH-UMSGYPCISA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CC(CN2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000629554097 361439706 /nfs/dbraw/zinc/43/97/06/361439706.db2.gz ZDQHHCHCRWPHQQ-TZMCWYRMSA-N 1 3 222.376 2.236 20 0 BEADHO C[C@@H](NC[C@@H]1CCCC12CC2)[C@H]1CCC[NH2+]1 ZINC000629554278 361440196 /nfs/dbraw/zinc/44/01/96/361440196.db2.gz HGYIPMFUXMZEAZ-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)[C@H]1CCCN1 ZINC000629554278 361440198 /nfs/dbraw/zinc/44/01/98/361440198.db2.gz HGYIPMFUXMZEAZ-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CC(CN2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000629554096 361440413 /nfs/dbraw/zinc/44/04/13/361440413.db2.gz ZDQHHCHCRWPHQQ-OCCSQVGLSA-N 1 3 222.376 2.236 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000629555206 361446261 /nfs/dbraw/zinc/44/62/61/361446261.db2.gz RVCYJYJWITTZBO-XQQFMLRXSA-N 1 3 222.376 2.284 20 0 BEADHO C/C=C/C[C@H]1CCCN(CCC[NH2+]C)C1 ZINC000629595399 361482057 /nfs/dbraw/zinc/48/20/57/361482057.db2.gz ONENBHOHVPJBQP-OOPCZODUSA-N 1 3 210.365 2.274 20 0 BEADHO C/C=C/C[C@@H]1CCCN(CCC[NH2+]C)C1 ZINC000629595398 361482195 /nfs/dbraw/zinc/48/21/95/361482195.db2.gz ONENBHOHVPJBQP-ITDFMYJTSA-N 1 3 210.365 2.274 20 0 BEADHO C/C=C\C[C@@H]1CCCN(CCC[NH2+]C)C1 ZINC000629595397 361482410 /nfs/dbraw/zinc/48/24/10/361482410.db2.gz ONENBHOHVPJBQP-DHCBQETCSA-N 1 3 210.365 2.274 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CCC1CCC1)C2 ZINC000629595939 361483159 /nfs/dbraw/zinc/48/31/59/361483159.db2.gz UJKVVJDYCROJDH-OKILXGFUSA-N 1 3 222.376 2.108 20 0 BEADHO CC(C)C[C@@H]([NH3+])CNC[C@H](C)c1ccncc1 ZINC000629656141 361561756 /nfs/dbraw/zinc/56/17/56/361561756.db2.gz OBCYOXTVMCFQCZ-GXTWGEPZSA-N 1 3 235.375 2.148 20 0 BEADHO CC(C)CCCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629667381 361589046 /nfs/dbraw/zinc/58/90/46/361589046.db2.gz PJNDEQHXUTWDDR-OKILXGFUSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000629672441 361614507 /nfs/dbraw/zinc/61/45/07/361614507.db2.gz SDVACCIKBVSEIY-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](CN)C1 ZINC000435378809 201265281 /nfs/dbraw/zinc/26/52/81/201265281.db2.gz KAPBGEUSQXXVEV-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](CN)C1 ZINC000435378809 201265286 /nfs/dbraw/zinc/26/52/86/201265286.db2.gz KAPBGEUSQXXVEV-UKRRQHHQSA-N 1 3 232.371 2.146 20 0 BEADHO C[NH2+]C[C@@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 ZINC000435377072 201265525 /nfs/dbraw/zinc/26/55/25/201265525.db2.gz XUHHPSSGITZWTN-HOCLYGCPSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435377072 201265529 /nfs/dbraw/zinc/26/55/29/201265529.db2.gz XUHHPSSGITZWTN-HOCLYGCPSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435377072 201265532 /nfs/dbraw/zinc/26/55/32/201265532.db2.gz XUHHPSSGITZWTN-HOCLYGCPSA-N 1 3 246.398 2.407 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000154413970 201277760 /nfs/dbraw/zinc/27/77/60/201277760.db2.gz HTCLUIDSMNLLHL-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO CNCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000435873636 201292103 /nfs/dbraw/zinc/29/21/03/201292103.db2.gz DYZMRVUTUMFGHP-CQSZACIVSA-N 1 3 234.387 2.467 20 0 BEADHO CNCCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000435873636 201292106 /nfs/dbraw/zinc/29/21/06/201292106.db2.gz DYZMRVUTUMFGHP-CQSZACIVSA-N 1 3 234.387 2.467 20 0 BEADHO C[NH2+]CCCN1CC[C@@H](Cc2ccccc2)C1 ZINC000435880141 201293595 /nfs/dbraw/zinc/29/35/95/201293595.db2.gz NOGYXIYAAPBKKE-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO CNCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000435880141 201293597 /nfs/dbraw/zinc/29/35/97/201293597.db2.gz NOGYXIYAAPBKKE-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO CNCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000435880141 201293600 /nfs/dbraw/zinc/29/36/00/201293600.db2.gz NOGYXIYAAPBKKE-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO CSc1ccccc1C[C@H](C)[NH2+]CCCN ZINC000437768980 201371972 /nfs/dbraw/zinc/37/19/72/201371972.db2.gz CVDAULSPJKQCMS-NSHDSACASA-N 1 3 238.400 2.278 20 0 BEADHO CSc1ccccc1C[C@H](C)NCCC[NH3+] ZINC000437768980 201371974 /nfs/dbraw/zinc/37/19/74/201371974.db2.gz CVDAULSPJKQCMS-NSHDSACASA-N 1 3 238.400 2.278 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966805 364377649 /nfs/dbraw/zinc/37/76/49/364377649.db2.gz RSMHJGLQGWUPSO-GRYCIOLGSA-N 1 3 210.365 2.295 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN([C@H](C)CCOC)C1 ZINC000446785326 541391323 /nfs/dbraw/zinc/39/13/23/541391323.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)CCOC)C1 ZINC000446785326 541391327 /nfs/dbraw/zinc/39/13/27/541391327.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446785326 541391330 /nfs/dbraw/zinc/39/13/30/541391330.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446785326 541391332 /nfs/dbraw/zinc/39/13/32/541391332.db2.gz KYWFGCUGDAUKAW-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO [NH3+]CCCCNCc1ccccc1Cl ZINC000037714607 181377485 /nfs/dbraw/zinc/37/74/85/181377485.db2.gz NYOAATMWAPNIRV-UHFFFAOYSA-N 1 3 212.724 2.169 20 0 BEADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H](C)[C@H](C)N ZINC000573953365 364954007 /nfs/dbraw/zinc/95/40/07/364954007.db2.gz ZVYPQCGCOSRBJV-WDMOLILDSA-N 1 3 248.370 2.398 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000574191059 365006876 /nfs/dbraw/zinc/00/68/76/365006876.db2.gz ALMNGMSDWKCLKF-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO CCCOc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000574782110 365142694 /nfs/dbraw/zinc/14/26/94/365142694.db2.gz LSXFIHVYQQLFJU-LBPRGKRZSA-N 1 3 236.359 2.302 20 0 BEADHO Cc1cc(NCCN2CCCC(C)(C)C2)cc[nH+]1 ZINC000443957216 193032428 /nfs/dbraw/zinc/03/24/28/193032428.db2.gz KSNBFAINTKSBJK-UHFFFAOYSA-N 1 3 247.386 2.346 20 0 BEADHO Cc1cc(NCC[N@@H+]2CCCC(C)(C)C2)ccn1 ZINC000443957216 193032429 /nfs/dbraw/zinc/03/24/29/193032429.db2.gz KSNBFAINTKSBJK-UHFFFAOYSA-N 1 3 247.386 2.346 20 0 BEADHO Cc1cc(NCC[N@H+]2CCCC(C)(C)C2)ccn1 ZINC000443957216 193032432 /nfs/dbraw/zinc/03/24/32/193032432.db2.gz KSNBFAINTKSBJK-UHFFFAOYSA-N 1 3 247.386 2.346 20 0 BEADHO N[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)C1CC1 ZINC000579581006 366887095 /nfs/dbraw/zinc/88/70/95/366887095.db2.gz PAKQTYIDXMFCIQ-ZFWWWQNUSA-N 1 3 245.370 2.260 20 0 BEADHO Cc1ccc(CCCN2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000575759707 365356365 /nfs/dbraw/zinc/35/63/65/365356365.db2.gz WAGCUYXBEXTTHE-UKRRQHHQSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)C1CNC1 ZINC000575873236 365398750 /nfs/dbraw/zinc/39/87/50/365398750.db2.gz LNWMWSUZRCVKMN-NMOTYAQPSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000575989226 365437008 /nfs/dbraw/zinc/43/70/08/365437008.db2.gz XILGATKOSNNGGP-VOAKCMCISA-N 1 3 228.355 2.245 20 0 BEADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cccc(O)c1 ZINC000576016230 365452584 /nfs/dbraw/zinc/45/25/84/365452584.db2.gz NLAIXZSVWJXSPF-CYBMUJFWSA-N 1 3 248.370 2.214 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]CCCNC(C)C ZINC000579822398 367023615 /nfs/dbraw/zinc/02/36/15/367023615.db2.gz IBQBBTGAOAICQE-NWDGAFQWSA-N 1 3 200.370 2.399 20 0 BEADHO CC[NH2+]CCCN[C@H]1C[C@@H](OC)C1(CC)CC ZINC000580827656 367177997 /nfs/dbraw/zinc/17/79/97/367177997.db2.gz XVQJCRUDGDTDGA-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@H]1CCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000381357994 367388110 /nfs/dbraw/zinc/38/81/10/367388110.db2.gz DTBPOCUVBJMZJG-KBPBESRZSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@H](C[NH2+][C@H](C)Cc1ccsc1)CN(C)C ZINC000381455940 367407407 /nfs/dbraw/zinc/40/74/07/367407407.db2.gz IJRPRCURNRACCP-VXGBXAGGSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@H](CN[C@H](C)Cc1ccsc1)C[NH+](C)C ZINC000381455940 367407411 /nfs/dbraw/zinc/40/74/11/367407411.db2.gz IJRPRCURNRACCP-VXGBXAGGSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000382604787 367548076 /nfs/dbraw/zinc/54/80/76/367548076.db2.gz VRIYZMDTRDOFGO-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000382604786 367548725 /nfs/dbraw/zinc/54/87/25/367548725.db2.gz VRIYZMDTRDOFGO-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCSCC[C@H]1C ZINC000385506799 367838814 /nfs/dbraw/zinc/83/88/14/367838814.db2.gz MKLRRJFWRCSFEE-VXGBXAGGSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCSCC[C@H]1C ZINC000385506799 367838822 /nfs/dbraw/zinc/83/88/22/367838822.db2.gz MKLRRJFWRCSFEE-VXGBXAGGSA-N 1 3 230.421 2.187 20 0 BEADHO C[C@H](NC[C@@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000386100085 367912644 /nfs/dbraw/zinc/91/26/44/367912644.db2.gz JQHZTZLVKPOQFY-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N[C@@H]1CCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386129365 367915932 /nfs/dbraw/zinc/91/59/32/367915932.db2.gz OHHNMWGJKIJTPJ-SDDRHHMPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](N[C@H]1CCC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000386129372 367916123 /nfs/dbraw/zinc/91/61/23/367916123.db2.gz OHHNMWGJKIJTPJ-TUAOUCFPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](c1cccnc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386181225 367925996 /nfs/dbraw/zinc/92/59/96/367925996.db2.gz IWDVHWFKQGQPNP-YUELXQCFSA-N 1 3 245.370 2.074 20 0 BEADHO C[C@H](NCC1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000386567236 367994066 /nfs/dbraw/zinc/99/40/66/367994066.db2.gz KNPUPANPQBIODX-AAEUAGOBSA-N 1 3 242.432 2.250 20 0 BEADHO CC(C)OCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386476574 367978657 /nfs/dbraw/zinc/97/86/57/367978657.db2.gz RIVRHRYZKDOFQG-UONOGXRCSA-N 1 3 242.407 2.312 20 0 BEADHO CCOCC(C)(C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386505995 367981690 /nfs/dbraw/zinc/98/16/90/367981690.db2.gz WMPTVIVGCDVPDG-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000387025117 368041510 /nfs/dbraw/zinc/04/15/10/368041510.db2.gz NGAYLCGCKNEZAR-AVGNSLFASA-N 1 3 222.376 2.426 20 0 BEADHO C(=C\c1ccccc1)\CNCCC[NH+]1CCC1 ZINC000581954094 368019627 /nfs/dbraw/zinc/01/96/27/368019627.db2.gz JKKQETREZUKEQU-WTKPLQERSA-N 1 3 230.355 2.385 20 0 BEADHO C[C@H](CN(C)C[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697693 368486320 /nfs/dbraw/zinc/48/63/20/368486320.db2.gz BLUJAYOHLSOWSY-VXGBXAGGSA-N 1 3 212.381 2.210 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000086401891 368880224 /nfs/dbraw/zinc/88/02/24/368880224.db2.gz QISVAEBUPQPFHA-ZIAGYGMSSA-N 1 3 218.344 2.089 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccc2)C1 ZINC000086401891 368880227 /nfs/dbraw/zinc/88/02/27/368880227.db2.gz QISVAEBUPQPFHA-ZIAGYGMSSA-N 1 3 218.344 2.089 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000623656992 368998172 /nfs/dbraw/zinc/99/81/72/368998172.db2.gz HHZAHOAAHCZMRE-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000623655838 368991775 /nfs/dbraw/zinc/99/17/75/368991775.db2.gz GZPJSKKWKHMYDS-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1CN ZINC000631836729 369088800 /nfs/dbraw/zinc/08/88/00/369088800.db2.gz FZKXJWXTONATET-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1CN ZINC000631836729 369088804 /nfs/dbraw/zinc/08/88/04/369088804.db2.gz FZKXJWXTONATET-DGCLKSJQSA-N 1 3 210.365 2.093 20 0 BEADHO CCc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631837392 369094365 /nfs/dbraw/zinc/09/43/65/369094365.db2.gz RZXVYIYBLMLVIM-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631837392 369094367 /nfs/dbraw/zinc/09/43/67/369094367.db2.gz RZXVYIYBLMLVIM-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO CCc1ccc(C[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631837392 369094372 /nfs/dbraw/zinc/09/43/72/369094372.db2.gz RZXVYIYBLMLVIM-SWLSCSKDSA-N 1 3 232.371 2.276 20 0 BEADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(O)c2)C1 ZINC000459728006 203344540 /nfs/dbraw/zinc/34/45/40/203344540.db2.gz HXBCARLSZTUGMF-ZDUSSCGKSA-N 1 3 248.370 2.214 20 0 BEADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(O)c2)C1 ZINC000459728006 203344544 /nfs/dbraw/zinc/34/45/44/203344544.db2.gz HXBCARLSZTUGMF-ZDUSSCGKSA-N 1 3 248.370 2.214 20 0 BEADHO CC[C@@H]1OCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000459770634 203363533 /nfs/dbraw/zinc/36/35/33/203363533.db2.gz HPIBQHDHWUNANL-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165293168 203383908 /nfs/dbraw/zinc/38/39/08/203383908.db2.gz VKQGXOPBVUMMTB-QWHCGFSZSA-N 1 3 224.392 2.495 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC1(C)C ZINC000568182725 326322225 /nfs/dbraw/zinc/32/22/25/326322225.db2.gz ZOXVEXZVBDTGDJ-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621777342 370525403 /nfs/dbraw/zinc/52/54/03/370525403.db2.gz AZXHZNUSBIVIBR-GJZGRUSLSA-N 1 3 230.355 2.308 20 0 BEADHO Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621777342 370525405 /nfs/dbraw/zinc/52/54/05/370525405.db2.gz AZXHZNUSBIVIBR-GJZGRUSLSA-N 1 3 230.355 2.308 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccncc1 ZINC000624122647 371323073 /nfs/dbraw/zinc/32/30/73/371323073.db2.gz XNAKRCPUCLYEIP-ZIAGYGMSSA-N 1 3 247.386 2.464 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123893 371324455 /nfs/dbraw/zinc/32/44/55/371324455.db2.gz SNBGIOCXBXMITM-LXTVHRRPSA-N 1 3 236.403 2.497 20 0 BEADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000624123891 371324472 /nfs/dbraw/zinc/32/44/72/371324472.db2.gz SNBGIOCXBXMITM-BYNSBNAKSA-N 1 3 236.403 2.497 20 0 BEADHO CO[C@H]1C[C@H](NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000624297818 371463452 /nfs/dbraw/zinc/46/34/52/371463452.db2.gz GBNLTEYASLLFTK-JOCQHMNTSA-N 1 3 240.391 2.016 20 0 BEADHO CC1([NH3+])CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000631824818 372589866 /nfs/dbraw/zinc/58/98/66/372589866.db2.gz RANYKAJEHFNMBJ-JTQLQIEISA-N 1 3 232.318 2.235 20 0 BEADHO FCCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000631836914 372625840 /nfs/dbraw/zinc/62/58/40/372625840.db2.gz JJSGVSOEQQZWTN-CYBMUJFWSA-N 1 3 228.355 2.058 20 0 BEADHO FCCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000631836914 372625842 /nfs/dbraw/zinc/62/58/42/372625842.db2.gz JJSGVSOEQQZWTN-CYBMUJFWSA-N 1 3 228.355 2.058 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631838933 372633594 /nfs/dbraw/zinc/63/35/94/372633594.db2.gz XFNPIURGBFOAOT-YNEHKIRRSA-N 1 3 212.381 2.195 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631838933 372633601 /nfs/dbraw/zinc/63/36/01/372633601.db2.gz XFNPIURGBFOAOT-YNEHKIRRSA-N 1 3 212.381 2.195 20 0 BEADHO C[C@@H](c1ccc(F)cc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839554 372635764 /nfs/dbraw/zinc/63/57/64/372635764.db2.gz HRABYVDZHUTUSH-NTZNESFSSA-N 1 3 236.334 2.413 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631840519 372636031 /nfs/dbraw/zinc/63/60/31/372636031.db2.gz SXOISGHQXVHUOW-UKRRQHHQSA-N 1 3 232.371 2.064 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631840519 372636037 /nfs/dbraw/zinc/63/60/37/372636037.db2.gz SXOISGHQXVHUOW-UKRRQHHQSA-N 1 3 232.371 2.064 20 0 BEADHO Cc1ccc(CCN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631840519 372636040 /nfs/dbraw/zinc/63/60/40/372636040.db2.gz SXOISGHQXVHUOW-UKRRQHHQSA-N 1 3 232.371 2.064 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000631827001 372605612 /nfs/dbraw/zinc/60/56/12/372605612.db2.gz CCZNEMWSAILFQR-WDEREUQCSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CN1CC1CCCCCC1 ZINC000631861624 372663559 /nfs/dbraw/zinc/66/35/59/372663559.db2.gz FUXMAQVPWSZSNY-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO NCCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873984 372675557 /nfs/dbraw/zinc/67/55/57/372675557.db2.gz XGGYWHUOFKLZNG-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO NCCC[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000631873984 372675561 /nfs/dbraw/zinc/67/55/61/372675561.db2.gz XGGYWHUOFKLZNG-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]CCCN1CCC[C@@H](C2CCC2)CC1 ZINC000631873984 372675566 /nfs/dbraw/zinc/67/55/66/372675566.db2.gz XGGYWHUOFKLZNG-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCc2ccc(C)cc2)C1 ZINC000430915327 206061503 /nfs/dbraw/zinc/06/15/03/206061503.db2.gz CEQYOLOELAAUNK-HNNXBMFYSA-N 1 3 232.371 2.079 20 0 BEADHO CN(CCC[NH3+])Cc1cccc2ncccc12 ZINC000381976353 487528150 /nfs/dbraw/zinc/52/81/50/487528150.db2.gz CVQLYDHVUMQAEX-UHFFFAOYSA-N 1 3 229.327 2.015 20 0 BEADHO CCCN(CCC[NH3+])Cc1ccc(F)cc1 ZINC000036731896 169156355 /nfs/dbraw/zinc/15/63/55/169156355.db2.gz IMQXEBAFJPWACN-UHFFFAOYSA-N 1 3 224.323 2.387 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)COC(C)C)C1 ZINC000337339615 169208198 /nfs/dbraw/zinc/20/81/98/169208198.db2.gz OSUIRJSHLPWNBR-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@H](C)COC(C)C)C1 ZINC000337339615 169208200 /nfs/dbraw/zinc/20/82/00/169208200.db2.gz OSUIRJSHLPWNBR-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000337339615 169208202 /nfs/dbraw/zinc/20/82/02/169208202.db2.gz OSUIRJSHLPWNBR-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO c1ccc(CCCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994631 183391660 /nfs/dbraw/zinc/39/16/60/183391660.db2.gz AIZUTGQRJCORCJ-INIZCTEOSA-N 1 3 244.382 2.305 20 0 BEADHO CCC[C@@H](CC)[NH2+]C[C@H](C)CN(C)C ZINC000336681170 169379837 /nfs/dbraw/zinc/37/98/37/169379837.db2.gz HIMKVSUGUHINFC-NWDGAFQWSA-N 1 3 200.370 2.352 20 0 BEADHO CC[C@@H](C)[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099396 1172526113 /nfs/dbraw/zinc/52/61/13/1172526113.db2.gz PICIYNDEBMLFQJ-RQJABVFESA-N 1 3 224.392 2.305 20 0 BEADHO CC[C@@H](C)[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099396 1172526116 /nfs/dbraw/zinc/52/61/16/1172526116.db2.gz PICIYNDEBMLFQJ-RQJABVFESA-N 1 3 224.392 2.305 20 0 BEADHO C[C@H](C[NH2+]C[C@@H]1CCSC1)CN1CCCC1 ZINC000224420427 134347247 /nfs/dbraw/zinc/34/72/47/134347247.db2.gz QLSQJDHRDHJLOA-OLZOCXBDSA-N 1 3 242.432 2.061 20 0 BEADHO COCc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000088567211 383911293 /nfs/dbraw/zinc/91/12/93/383911293.db2.gz XGPBBXHXALRIOI-UHFFFAOYSA-N 1 3 248.370 2.017 20 0 BEADHO C[C@@H](C[NH2+]C1CCC(F)(F)CC1)CN(C)C ZINC000647212719 383956842 /nfs/dbraw/zinc/95/68/42/383956842.db2.gz SATUMDORJPBKBS-JTQLQIEISA-N 1 3 234.334 2.352 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc2[nH]ccc21 ZINC000569447676 384051094 /nfs/dbraw/zinc/05/10/94/384051094.db2.gz NVVMYZODUOHQDG-HIFRSBDPSA-N 1 3 243.354 2.180 20 0 BEADHO C[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000038040466 384061872 /nfs/dbraw/zinc/06/18/72/384061872.db2.gz YIHGPADYGNMOGL-NSHDSACASA-N 1 3 204.317 2.089 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163206075 384165309 /nfs/dbraw/zinc/16/53/09/384165309.db2.gz NPBQKRQRYPCKBR-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]([NH3+])C1CCN(Cc2ccsc2)CC1 ZINC000082474675 384232231 /nfs/dbraw/zinc/23/22/31/384232231.db2.gz WBSNUHDRQYTFTR-SNVBAGLBSA-N 1 3 224.373 2.307 20 0 BEADHO C[C@H]([NH2+]C1CC1)c1cccc(OCCN(C)C)c1 ZINC000132684019 384242919 /nfs/dbraw/zinc/24/29/19/384242919.db2.gz NGKDQFIHSWPDNA-LBPRGKRZSA-N 1 3 248.370 2.440 20 0 BEADHO CC[C@H]1C[N@H+](CC2(OC)CCCC2)CC[C@@H]1N ZINC000319456332 384251304 /nfs/dbraw/zinc/25/13/04/384251304.db2.gz OCXSXEAPRMUKQX-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@@H]1N ZINC000319456332 384251308 /nfs/dbraw/zinc/25/13/08/384251308.db2.gz OCXSXEAPRMUKQX-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CCNCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000569566732 384251513 /nfs/dbraw/zinc/25/15/13/384251513.db2.gz YCRKMSKFPDCVOF-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700063 384252215 /nfs/dbraw/zinc/25/22/15/384252215.db2.gz PJECVSPMODDHMB-BARDWOONSA-N 1 3 236.403 2.497 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236238310 384287613 /nfs/dbraw/zinc/28/76/13/384287613.db2.gz VSPMZFKYJCZFRG-DGCLKSJQSA-N 1 3 222.376 2.284 20 0 BEADHO COC(C)(C)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000533479203 384361831 /nfs/dbraw/zinc/36/18/31/384361831.db2.gz SCDZZNHYCUFKNY-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO COC(C)(C)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000533479203 384361833 /nfs/dbraw/zinc/36/18/33/384361833.db2.gz SCDZZNHYCUFKNY-ZDUSSCGKSA-N 1 3 242.407 2.218 20 0 BEADHO CC1(C)[C@H](NCCCc2ccccc2)C[C@@H]1[NH3+] ZINC000405431075 384331535 /nfs/dbraw/zinc/33/15/35/384331535.db2.gz AXRFRLMRLQEOND-UONOGXRCSA-N 1 3 232.371 2.335 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCNC2)c(C)c1 ZINC000084487078 384399582 /nfs/dbraw/zinc/39/95/82/384399582.db2.gz RZRZWBKHIUUQHG-CQSZACIVSA-N 1 3 218.344 2.145 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCCNC2)c(C)c1 ZINC000084487080 384400373 /nfs/dbraw/zinc/40/03/73/384400373.db2.gz RZRZWBKHIUUQHG-AWEZNQCLSA-N 1 3 218.344 2.145 20 0 BEADHO CC(C)[NH+]1CCC(N[C@@H]2CSC2(C)C)CC1 ZINC000335630156 384403483 /nfs/dbraw/zinc/40/34/83/384403483.db2.gz DHJSJZJKLWVVSD-GFCCVEGCSA-N 1 3 242.432 2.343 20 0 BEADHO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000229060650 384415431 /nfs/dbraw/zinc/41/54/31/384415431.db2.gz CNHUWTXKMZMZPT-JQWIXIFHSA-N 1 3 238.400 2.473 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000335602283 384378088 /nfs/dbraw/zinc/37/80/88/384378088.db2.gz GALCLFZUKGVOQX-CYBMUJFWSA-N 1 3 222.376 2.417 20 0 BEADHO CCN(CCC[NH3+])Cc1ccccc1C ZINC000036731795 384455531 /nfs/dbraw/zinc/45/55/31/384455531.db2.gz RWYFXQLHTSSNJK-UHFFFAOYSA-N 1 3 206.333 2.166 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)c2ccccc21 ZINC000335659878 384461365 /nfs/dbraw/zinc/46/13/65/384461365.db2.gz NDCARZXRRCVHQW-HUUCEWRRSA-N 1 3 244.338 2.068 20 0 BEADHO CO[C@H](C)[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000358016556 384517676 /nfs/dbraw/zinc/51/76/76/384517676.db2.gz GSVMZWVJFGBLQW-QWHCGFSZSA-N 1 3 242.407 2.120 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1C[C@@H]1C ZINC000423370257 384548791 /nfs/dbraw/zinc/54/87/91/384548791.db2.gz PIHRIFTXDKRKEA-YYHQMBLXSA-N 1 3 210.365 2.281 20 0 BEADHO CSCCC[N@H+](C)C[C@@H](N)CC(C)C ZINC000300862793 384615966 /nfs/dbraw/zinc/61/59/66/384615966.db2.gz PLJGQVXHIAGTSK-NSHDSACASA-N 1 3 218.410 2.045 20 0 BEADHO CSCCC[N@@H+](C)C[C@@H](N)CC(C)C ZINC000300862793 384615972 /nfs/dbraw/zinc/61/59/72/384615972.db2.gz PLJGQVXHIAGTSK-NSHDSACASA-N 1 3 218.410 2.045 20 0 BEADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(F)c2)CC1 ZINC000111727055 384624608 /nfs/dbraw/zinc/62/46/08/384624608.db2.gz HEIXSWKMVIXGQT-LLVKDONJSA-N 1 3 236.334 2.385 20 0 BEADHO C[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309769220 384595061 /nfs/dbraw/zinc/59/50/61/384595061.db2.gz KCHPGNKXHCYYBZ-GXTWGEPZSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H](C[NH2+]C1CCC2(CC2)CC1)CN(C)C ZINC000309781644 384598516 /nfs/dbraw/zinc/59/85/16/384598516.db2.gz RJVXMLLVWKZGLT-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)CN(C)C ZINC000309769738 384599621 /nfs/dbraw/zinc/59/96/21/384599621.db2.gz OJQTYSWHZLNCBE-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C2CC(C(F)(F)F)C2)C1 ZINC000568247599 384601692 /nfs/dbraw/zinc/60/16/92/384601692.db2.gz RDYJLWNVSPXOJA-MXAZLMSGSA-N 1 3 236.281 2.187 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc(C(F)F)cc1 ZINC000556932332 384661022 /nfs/dbraw/zinc/66/10/22/384661022.db2.gz XRQARNSNBMHOIG-VIFPVBQESA-N 1 3 228.286 2.451 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H]1CCCCC1(C)C ZINC000556933994 384661708 /nfs/dbraw/zinc/66/17/08/384661708.db2.gz BFLAAUHXNHKLPV-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH+](C)C1CCC(NCc2ccco2)CC1 ZINC000309934437 384724626 /nfs/dbraw/zinc/72/46/26/384724626.db2.gz ZHQXXDLZQWHVKT-UHFFFAOYSA-N 1 3 222.332 2.242 20 0 BEADHO CCCC1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000086729391 384679749 /nfs/dbraw/zinc/67/97/49/384679749.db2.gz BCLWNNAYYYPSCV-BPCQOVAHSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000124935882 384686506 /nfs/dbraw/zinc/68/65/06/384686506.db2.gz XZJIDXHVOLHLAT-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000124935882 384686512 /nfs/dbraw/zinc/68/65/12/384686512.db2.gz XZJIDXHVOLHLAT-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1ccc(CCN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000124935882 384686517 /nfs/dbraw/zinc/68/65/17/384686517.db2.gz XZJIDXHVOLHLAT-MRXNPFEDSA-N 1 3 246.398 2.421 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423220341 384778429 /nfs/dbraw/zinc/77/84/29/384778429.db2.gz YCQYVZZYHGJRFX-AVGNSLFASA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]1C[NH2+]C[C@@H](NCC2CCC(F)CC2)C1 ZINC000647553296 384769538 /nfs/dbraw/zinc/76/95/38/384769538.db2.gz QFZQPSFRGKIELP-WTIISPKJSA-N 1 3 228.355 2.102 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000107786850 384784488 /nfs/dbraw/zinc/78/44/88/384784488.db2.gz AJGCVWLEVXLQSQ-ZYHUDNBSSA-N 1 3 222.332 2.083 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000107786839 384785076 /nfs/dbraw/zinc/78/50/76/384785076.db2.gz AJGCVWLEVXLQSQ-JQWIXIFHSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@H](CC[NH2+]C[C@@H]1C[C@H]1C)N1CCCCC1 ZINC000309757141 384794891 /nfs/dbraw/zinc/79/48/91/384794891.db2.gz LURZBBUMBMFANN-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000398111060 384805047 /nfs/dbraw/zinc/80/50/47/384805047.db2.gz XETCOIZCYZINFU-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403676263 384850220 /nfs/dbraw/zinc/85/02/20/384850220.db2.gz PBWZYZUYTGOSHZ-TUVASFSCSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000104424498 384851038 /nfs/dbraw/zinc/85/10/38/384851038.db2.gz RFFOXKXUQRKNFZ-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000104424498 384851043 /nfs/dbraw/zinc/85/10/43/384851043.db2.gz RFFOXKXUQRKNFZ-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000104424498 384851047 /nfs/dbraw/zinc/85/10/47/384851047.db2.gz RFFOXKXUQRKNFZ-DZGCQCFKSA-N 1 3 232.371 2.288 20 0 BEADHO C(C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)CN1CCCC1 ZINC000403769132 384858246 /nfs/dbraw/zinc/85/82/46/384858246.db2.gz UASMNIPCDKMKJI-KFWWJZLASA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H](C[NH2+]Cc1cc2ccccc2[nH]1)CN(C)C ZINC000644414863 384869344 /nfs/dbraw/zinc/86/93/44/384869344.db2.gz IMHNIWBLCRJHLM-GFCCVEGCSA-N 1 3 245.370 2.455 20 0 BEADHO CCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127650895 384911156 /nfs/dbraw/zinc/91/11/56/384911156.db2.gz RQWSTZLWMOGRNF-CHWSQXEVSA-N 1 3 210.365 2.393 20 0 BEADHO CCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127650895 384911164 /nfs/dbraw/zinc/91/11/64/384911164.db2.gz RQWSTZLWMOGRNF-CHWSQXEVSA-N 1 3 210.365 2.393 20 0 BEADHO CCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000127650895 384911170 /nfs/dbraw/zinc/91/11/70/384911170.db2.gz RQWSTZLWMOGRNF-CHWSQXEVSA-N 1 3 210.365 2.393 20 0 BEADHO FC1(F)CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000259441224 384959538 /nfs/dbraw/zinc/95/95/38/384959538.db2.gz JVESYGZHYTVPTN-NSHDSACASA-N 1 3 232.318 2.107 20 0 BEADHO CC[C@@H]([NH2+]CCCN(C)C(C)C)[C@H]1CCOC1 ZINC000336677886 384929274 /nfs/dbraw/zinc/92/92/74/384929274.db2.gz ACJJZFMAPUDDDQ-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H]([NH2+]CCCN(C)C(C)C)[C@@H]1CCOC1 ZINC000336677889 384930027 /nfs/dbraw/zinc/93/00/27/384930027.db2.gz ACJJZFMAPUDDDQ-ZIAGYGMSSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1ccsc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000258800989 384934751 /nfs/dbraw/zinc/93/47/51/384934751.db2.gz CDTDFWSRGMEPPS-GHMZBOCLSA-N 1 3 224.373 2.068 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000258762652 384939353 /nfs/dbraw/zinc/93/93/53/384939353.db2.gz APVWJUVHYOFJAC-UONOGXRCSA-N 1 3 232.371 2.434 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000555595032 384940529 /nfs/dbraw/zinc/94/05/29/384940529.db2.gz AVXSIJCSDNLQQI-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CC2(C)CC2)C1 ZINC000555595032 384940535 /nfs/dbraw/zinc/94/05/35/384940535.db2.gz AVXSIJCSDNLQQI-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CC2(C)CC2)C1 ZINC000555595032 384940544 /nfs/dbraw/zinc/94/05/44/384940544.db2.gz AVXSIJCSDNLQQI-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 ZINC000555595032 384940550 /nfs/dbraw/zinc/94/05/50/384940550.db2.gz AVXSIJCSDNLQQI-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CSc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000258767598 384942668 /nfs/dbraw/zinc/94/26/68/384942668.db2.gz NUIHAMTVDYLACZ-JTQLQIEISA-N 1 3 224.373 2.093 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)[C@H]1CCN ZINC000404281182 384966424 /nfs/dbraw/zinc/96/64/24/384966424.db2.gz FAWRGGXLJSPLQP-RDBSUJKOSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)[C@H]1CCN ZINC000404281182 384966430 /nfs/dbraw/zinc/96/64/30/384966430.db2.gz FAWRGGXLJSPLQP-RDBSUJKOSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@H](C1CC1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436283 385021150 /nfs/dbraw/zinc/02/11/50/385021150.db2.gz UXZYBFWGLBDNEC-VXGBXAGGSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H](C1CC1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226436283 385021158 /nfs/dbraw/zinc/02/11/58/385021158.db2.gz UXZYBFWGLBDNEC-VXGBXAGGSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000094868874 384987871 /nfs/dbraw/zinc/98/78/71/384987871.db2.gz JAJYPCRNVXSYEQ-NWDGAFQWSA-N 1 3 234.343 2.415 20 0 BEADHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCNC2)s1 ZINC000043327587 385002291 /nfs/dbraw/zinc/00/22/91/385002291.db2.gz ZFRAJAXWPLGORY-WDEREUQCSA-N 1 3 224.373 2.459 20 0 BEADHO C[NH+](C)CC[C@H](NCc1cc[nH]c1)C(C)(C)C ZINC000086254394 385002533 /nfs/dbraw/zinc/00/25/33/385002533.db2.gz ZEMVYUQEKLCPOM-ZDUSSCGKSA-N 1 3 237.391 2.471 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)C(C)(C)OC ZINC000300919371 385063542 /nfs/dbraw/zinc/06/35/42/385063542.db2.gz DSQBICFWPZOPFZ-LBPRGKRZSA-N 1 3 230.396 2.121 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)C(C)(C)OC ZINC000300919371 385063549 /nfs/dbraw/zinc/06/35/49/385063549.db2.gz DSQBICFWPZOPFZ-LBPRGKRZSA-N 1 3 230.396 2.121 20 0 BEADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397324447 385082500 /nfs/dbraw/zinc/08/25/00/385082500.db2.gz OFGFDTAYXTZXAB-CYDGBPFRSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397324447 385082507 /nfs/dbraw/zinc/08/25/07/385082507.db2.gz OFGFDTAYXTZXAB-CYDGBPFRSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423550997 385023992 /nfs/dbraw/zinc/02/39/92/385023992.db2.gz IZQVWLCTPCVOSM-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCCNC1CC1 ZINC000423550996 385025237 /nfs/dbraw/zinc/02/52/37/385025237.db2.gz IZQVWLCTPCVOSM-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423567886 385027146 /nfs/dbraw/zinc/02/71/46/385027146.db2.gz VGLMBZKCAPEEFQ-AGIUHOORSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000334141481 385028208 /nfs/dbraw/zinc/02/82/08/385028208.db2.gz HMNOKLIRGOARLQ-JKSUJKDBSA-N 1 3 244.382 2.079 20 0 BEADHO Cc1ccc(F)cc1CN1CCC(C[NH3+])CC1 ZINC000157027764 385047185 /nfs/dbraw/zinc/04/71/85/385047185.db2.gz BEMIZFKUICYLID-UHFFFAOYSA-N 1 3 236.334 2.305 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CC12CC2 ZINC000424373917 385153920 /nfs/dbraw/zinc/15/39/20/385153920.db2.gz KFICGXOWJWLBKU-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1(C)CC1 ZINC000336762970 385175425 /nfs/dbraw/zinc/17/54/25/385175425.db2.gz ONSGARBCBUNADC-LLVKDONJSA-N 1 3 208.349 2.027 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000300987394 385221531 /nfs/dbraw/zinc/22/15/31/385221531.db2.gz VBERXDRECRSPLG-MELADBBJSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000300987394 385221535 /nfs/dbraw/zinc/22/15/35/385221535.db2.gz VBERXDRECRSPLG-MELADBBJSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H](CC1CC1)[NH2+]CC1=CCN(C)CC1 ZINC000308875313 385241391 /nfs/dbraw/zinc/24/13/91/385241391.db2.gz SCDHGTOLXHYREZ-LLVKDONJSA-N 1 3 208.349 2.027 20 0 BEADHO CN1CC=C(C[NH2+]Cc2cccs2)CC1 ZINC000308953673 385307390 /nfs/dbraw/zinc/30/73/90/385307390.db2.gz PVNXRODZBSOEBO-UHFFFAOYSA-N 1 3 222.357 2.100 20 0 BEADHO C[C@H](C[NH2+]CC1CCCCC1)CN(C)C ZINC000308953520 385307602 /nfs/dbraw/zinc/30/76/02/385307602.db2.gz YJIDGWCSFHICGR-GFCCVEGCSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000397452326 385293707 /nfs/dbraw/zinc/29/37/07/385293707.db2.gz MGSHCDUSHWRUMU-STQMWFEESA-N 1 3 244.448 2.483 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000308981060 385323541 /nfs/dbraw/zinc/32/35/41/385323541.db2.gz KIPJQNJOOSEZJX-WCQYABFASA-N 1 3 206.333 2.322 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CCCCCF ZINC000308924207 385295783 /nfs/dbraw/zinc/29/57/83/385295783.db2.gz LOJSPZWQFJRIIT-LBPRGKRZSA-N 1 3 218.360 2.431 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422863273 385464659 /nfs/dbraw/zinc/46/46/59/385464659.db2.gz RNXPPDVLBYQAGJ-DGCLKSJQSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000309274948 385507183 /nfs/dbraw/zinc/50/71/83/385507183.db2.gz DRGKZJLJNPHTHH-KXUCPTDWSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000309341403 385540894 /nfs/dbraw/zinc/54/08/94/385540894.db2.gz LCRHFOHXBPTHBA-STQMWFEESA-N 1 3 220.360 2.192 20 0 BEADHO C[C@@H]([NH2+]CCCN)[C@H](C)c1ccccc1 ZINC000309376646 385558051 /nfs/dbraw/zinc/55/80/51/385558051.db2.gz CTKALDBATMGIKM-NWDGAFQWSA-N 1 3 206.333 2.117 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309453287 385585249 /nfs/dbraw/zinc/58/52/49/385585249.db2.gz LRSCGKMXJPJZFR-MJBXVCDLSA-N 1 3 222.376 2.415 20 0 BEADHO CC(C)=CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309453287 385585251 /nfs/dbraw/zinc/58/52/51/385585251.db2.gz LRSCGKMXJPJZFR-MJBXVCDLSA-N 1 3 222.376 2.415 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccccc1C ZINC000414848359 385615281 /nfs/dbraw/zinc/61/52/81/385615281.db2.gz WUSYOGZZOSGAHC-JSGCOSHPSA-N 1 3 234.387 2.371 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000414848359 385615285 /nfs/dbraw/zinc/61/52/85/385615285.db2.gz WUSYOGZZOSGAHC-JSGCOSHPSA-N 1 3 234.387 2.371 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251104113 385617164 /nfs/dbraw/zinc/61/71/64/385617164.db2.gz AWTLYUULITXOEX-RVMXOQNASA-N 1 3 222.376 2.295 20 0 BEADHO CCSCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000336680089 385630874 /nfs/dbraw/zinc/63/08/74/385630874.db2.gz XKVPFVBDGOOUBP-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCCNC1CC[NH+](CC(C)C)CC1 ZINC000336680089 385630881 /nfs/dbraw/zinc/63/08/81/385630881.db2.gz XKVPFVBDGOOUBP-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000336677600 385608874 /nfs/dbraw/zinc/60/88/74/385608874.db2.gz HYUQVQFHFTULJT-FRRDWIJNSA-N 1 3 212.381 2.352 20 0 BEADHO C(N[C@H]1CCCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414853783 385690801 /nfs/dbraw/zinc/69/08/01/385690801.db2.gz YCKAIYSETACBFS-IHRRRGAJSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H]1CCCC[C@H]1C1CC1)[C@@H]1CCCN1 ZINC000414853783 385690804 /nfs/dbraw/zinc/69/08/04/385690804.db2.gz YCKAIYSETACBFS-IHRRRGAJSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CCCC1 ZINC000309557243 385695823 /nfs/dbraw/zinc/69/58/23/385695823.db2.gz KAJZLLIYAXEAKU-LBPRGKRZSA-N 1 3 222.376 2.417 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000414857551 385730208 /nfs/dbraw/zinc/73/02/08/385730208.db2.gz DWJOJOXAGRYJEV-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000414858577 385735871 /nfs/dbraw/zinc/73/58/71/385735871.db2.gz SAVIIHZESYJWGW-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185709281 385735880 /nfs/dbraw/zinc/73/58/80/385735880.db2.gz AGFMLAUXFKWXCB-NEPJUHHUSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN ZINC000336693623 385736419 /nfs/dbraw/zinc/73/64/19/385736419.db2.gz NJKIIFQVBKJLGC-JHJVBQTASA-N 1 3 212.381 2.386 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH2+]CCCNC ZINC000414859346 385740737 /nfs/dbraw/zinc/74/07/37/385740737.db2.gz MOIOYRMSZGAQHK-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414861666 385752969 /nfs/dbraw/zinc/75/29/69/385752969.db2.gz SSHMKSQTACKNKQ-CHWSQXEVSA-N 1 3 220.360 2.378 20 0 BEADHO C[NH2+]CCCN[C@H](C)[C@@H](C)c1ccccc1 ZINC000414861666 385752972 /nfs/dbraw/zinc/75/29/72/385752972.db2.gz SSHMKSQTACKNKQ-CHWSQXEVSA-N 1 3 220.360 2.378 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@H]1CCCNC1 ZINC000414863097 385756821 /nfs/dbraw/zinc/75/68/21/385756821.db2.gz XXWUISQREWNBOT-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)COC(C)C ZINC000309632404 385760849 /nfs/dbraw/zinc/76/08/49/385760849.db2.gz IFLUXJPRMCXVEQ-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000414863898 385761217 /nfs/dbraw/zinc/76/12/17/385761217.db2.gz YKTLSCUCRXOUMG-XBFCOCLRSA-N 1 3 222.376 2.154 20 0 BEADHO CC[C@@H](COC)NCC1([NH3+])CCCCCC1 ZINC000414857376 385724146 /nfs/dbraw/zinc/72/41/46/385724146.db2.gz DAMGWTIQLVFNNB-LBPRGKRZSA-N 1 3 228.380 2.053 20 0 BEADHO CC[C@@H](COC)[NH2+]CC1(N)CCCCCC1 ZINC000414857376 385724153 /nfs/dbraw/zinc/72/41/53/385724153.db2.gz DAMGWTIQLVFNNB-LBPRGKRZSA-N 1 3 228.380 2.053 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NC[C@H]1C[C@@H]1c1ccccc1 ZINC000647800414 385806417 /nfs/dbraw/zinc/80/64/17/385806417.db2.gz AVTYFZJRPLYGSL-KBXIAJHMSA-N 1 3 230.355 2.260 20 0 BEADHO C[C@@H](C[NH3+])CNCc1ccc(F)c2cccnc12 ZINC000414871619 385856775 /nfs/dbraw/zinc/85/67/75/385856775.db2.gz DPRPWKYPGXGXDG-JTQLQIEISA-N 1 3 247.317 2.058 20 0 BEADHO C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)CC(F)F ZINC000647800557 385807408 /nfs/dbraw/zinc/80/74/08/385807408.db2.gz FGYWEMBRTHSLFL-DCAQKATOSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414948673 385809821 /nfs/dbraw/zinc/80/98/21/385809821.db2.gz MNMLGEDEPBQZFQ-WZRBSPASSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H](NC[C@@H](C)CC(F)F)[C@@H]1CCC[NH2+]1 ZINC000647801123 385811105 /nfs/dbraw/zinc/81/11/05/385811105.db2.gz OQRRPFJTOQDGBI-AXFHLTTASA-N 1 3 234.334 2.398 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)[C@@H]1CCCN1 ZINC000647801123 385811107 /nfs/dbraw/zinc/81/11/07/385811107.db2.gz OQRRPFJTOQDGBI-AXFHLTTASA-N 1 3 234.334 2.398 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000414950313 385817155 /nfs/dbraw/zinc/81/71/55/385817155.db2.gz OJRMLVOIYNRJNN-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](C[N@H+](C)CC[C@H]1CCCCN1C)OC ZINC000412977223 385823350 /nfs/dbraw/zinc/82/33/50/385823350.db2.gz LBLIFVUXXYPOTP-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@H](C[N@@H+](C)CC[C@H]1CCCCN1C)OC ZINC000412977223 385823352 /nfs/dbraw/zinc/82/33/52/385823352.db2.gz LBLIFVUXXYPOTP-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C)CCN1 ZINC000414954538 385829145 /nfs/dbraw/zinc/82/91/45/385829145.db2.gz SQSCZDJTWXXKFS-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000647804278 385840381 /nfs/dbraw/zinc/84/03/81/385840381.db2.gz NHWMKFWSTAXABL-QSLWVIQJSA-N 1 3 222.376 2.295 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCC(F)CC1 ZINC000647804317 385841022 /nfs/dbraw/zinc/84/10/22/385841022.db2.gz OZXPYIQSBQMRJU-KPFVRQRISA-N 1 3 228.355 2.232 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340462342 385849965 /nfs/dbraw/zinc/84/99/65/385849965.db2.gz LTNNGYLZHGSPQM-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)[C@]1(C)CCCO1 ZINC000340462342 385849969 /nfs/dbraw/zinc/84/99/69/385849969.db2.gz LTNNGYLZHGSPQM-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340462345 385850031 /nfs/dbraw/zinc/85/00/31/385850031.db2.gz LTNNGYLZHGSPQM-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)[C@@]1(C)CCCO1 ZINC000340462345 385850034 /nfs/dbraw/zinc/85/00/34/385850034.db2.gz LTNNGYLZHGSPQM-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCNC1 ZINC000414867057 385795497 /nfs/dbraw/zinc/79/54/97/385795497.db2.gz FYTUOYQBUBMXIX-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[N@H+](CCCN)CCCc1cccc(F)c1 ZINC000647847672 385899134 /nfs/dbraw/zinc/89/91/34/385899134.db2.gz ZGJASXKJYYDNEO-UHFFFAOYSA-N 1 3 224.323 2.039 20 0 BEADHO C[N@@H+](CCCN)CCCc1cccc(F)c1 ZINC000647847672 385899139 /nfs/dbraw/zinc/89/91/39/385899139.db2.gz ZGJASXKJYYDNEO-UHFFFAOYSA-N 1 3 224.323 2.039 20 0 BEADHO CCCC[C@H](CC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000414963751 385900003 /nfs/dbraw/zinc/90/00/03/385900003.db2.gz XLAHSFUROAVWMJ-UONOGXRCSA-N 1 3 242.407 2.313 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1F ZINC000291718252 385903173 /nfs/dbraw/zinc/90/31/73/385903173.db2.gz METKFPRIBFABCS-LLVKDONJSA-N 1 3 238.350 2.421 20 0 BEADHO COC[C@]1(CNC[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000414965502 385905180 /nfs/dbraw/zinc/90/51/80/385905180.db2.gz ZORDNHXXOCNVJC-UONOGXRCSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H](CNCC1([NH3+])CCC1)c1ccccc1 ZINC000414876523 385909706 /nfs/dbraw/zinc/90/97/06/385909706.db2.gz LKRQUNISQKGIDS-LBPRGKRZSA-N 1 3 218.344 2.261 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCCC2)[C@H]1CCCN1 ZINC000335033069 385920310 /nfs/dbraw/zinc/92/03/10/385920310.db2.gz OFSBQNVQNBLIQX-CHWSQXEVSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C)CCC1 ZINC000335034025 385924369 /nfs/dbraw/zinc/92/43/69/385924369.db2.gz STUAYAFNUJSHHW-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H](C)CCC(F)(F)F ZINC000414958594 385859632 /nfs/dbraw/zinc/85/96/32/385859632.db2.gz PDZFZUPRGNOKGO-DTWKUNHWSA-N 1 3 226.286 2.305 20 0 BEADHO CCCOc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000414871601 385861313 /nfs/dbraw/zinc/86/13/13/385861313.db2.gz DKOWIVCSYRKKRT-GFCCVEGCSA-N 1 3 236.359 2.160 20 0 BEADHO C[C@H](NC1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000335037240 385928400 /nfs/dbraw/zinc/92/84/00/385928400.db2.gz BSCWARQBJXOYQX-AAEUAGOBSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]([NH2+]C1CCCCCC1)[C@@H]1CCCN1 ZINC000335037240 385928404 /nfs/dbraw/zinc/92/84/04/385928404.db2.gz BSCWARQBJXOYQX-AAEUAGOBSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H](CNC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000414881370 385990782 /nfs/dbraw/zinc/99/07/82/385990782.db2.gz AHNVKGFZHBMUBF-WFASDCNBSA-N 1 3 232.371 2.192 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000335040563 385933695 /nfs/dbraw/zinc/93/36/95/385933695.db2.gz RPZIPYQOJUHAIK-VXGBXAGGSA-N 1 3 224.373 2.498 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CCCO1 ZINC000251156698 385935490 /nfs/dbraw/zinc/93/54/90/385935490.db2.gz BOFCXGWBJPMSTJ-MGPQQGTHSA-N 1 3 240.391 2.066 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)CN ZINC000414879112 385948429 /nfs/dbraw/zinc/94/84/29/385948429.db2.gz PCGDSXCIRFPUNY-SDDRHHMPSA-N 1 3 200.370 2.386 20 0 BEADHO CC[C@H](C[NH2+]C[C@H](C)CN)c1ccccc1 ZINC000414879988 385963032 /nfs/dbraw/zinc/96/30/32/385963032.db2.gz QFOWJKLSJZRESR-CHWSQXEVSA-N 1 3 220.360 2.365 20 0 BEADHO CC[C@H]1CC[C@@H]1[NH2+]CCCN(CC)CC ZINC000336747100 385969037 /nfs/dbraw/zinc/96/90/37/385969037.db2.gz BTAQXWULSKWFFV-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](NCCCC[NH+](C)C)c1ccncc1F ZINC000338360473 385970840 /nfs/dbraw/zinc/97/08/40/385970840.db2.gz XVTBMPIJJFRVTD-LLVKDONJSA-N 1 3 239.338 2.213 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000335013873 385971844 /nfs/dbraw/zinc/97/18/44/385971844.db2.gz CTZKBLUISFXPAZ-HIFRSBDPSA-N 1 3 245.370 2.014 20 0 BEADHO NC1(C[NH2+]C/C=C\c2ccc(F)cc2)CCC1 ZINC000414881698 385998289 /nfs/dbraw/zinc/99/82/89/385998289.db2.gz SOSVAGNPHNIWHJ-IWQZZHSRSA-N 1 3 234.318 2.310 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cccc(C)c1C ZINC000414974294 386008843 /nfs/dbraw/zinc/00/88/43/386008843.db2.gz DIWNGZFTDVAPMQ-ZDUSSCGKSA-N 1 3 206.333 2.130 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000414975720 386021368 /nfs/dbraw/zinc/02/13/68/386021368.db2.gz GWIAZKCOLDACAI-CYBMUJFWSA-N 1 3 206.333 2.130 20 0 BEADHO CC(C)N(C)CCC[NH2+]C1Cc2ccccc2C1 ZINC000221920888 386026315 /nfs/dbraw/zinc/02/63/15/386026315.db2.gz KTQBCZQVMYDWCA-UHFFFAOYSA-N 1 3 246.398 2.474 20 0 BEADHO CC(C)[N@H+](C)CCCNC1Cc2ccccc2C1 ZINC000221920888 386026318 /nfs/dbraw/zinc/02/63/18/386026318.db2.gz KTQBCZQVMYDWCA-UHFFFAOYSA-N 1 3 246.398 2.474 20 0 BEADHO CC(C)[N@@H+](C)CCCNC1Cc2ccccc2C1 ZINC000221920888 386026324 /nfs/dbraw/zinc/02/63/24/386026324.db2.gz KTQBCZQVMYDWCA-UHFFFAOYSA-N 1 3 246.398 2.474 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000414977773 386036325 /nfs/dbraw/zinc/03/63/25/386036325.db2.gz KVBFWJGGPUMFNO-CYBMUJFWSA-N 1 3 236.359 2.301 20 0 BEADHO C1CC1[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000335078289 386049674 /nfs/dbraw/zinc/04/96/74/386049674.db2.gz PHGDWRJMMREHRO-OCCSQVGLSA-N 1 3 222.376 2.297 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000309520716 386051345 /nfs/dbraw/zinc/05/13/45/386051345.db2.gz UBCXZFNSVIPCGJ-YTPFDHIKSA-N 1 3 222.376 2.425 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000075994430 386106969 /nfs/dbraw/zinc/10/69/69/386106969.db2.gz YJWIRUBFRWBOLU-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000075994430 386106974 /nfs/dbraw/zinc/10/69/74/386106974.db2.gz YJWIRUBFRWBOLU-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CCc1ccccc1 ZINC000075994430 386106978 /nfs/dbraw/zinc/10/69/78/386106978.db2.gz YJWIRUBFRWBOLU-HNNXBMFYSA-N 1 3 232.371 2.432 20 0 BEADHO c1ccc(C[C@@H]2CC[C@@H]([NH2+][C@H]3CCNC3)C2)cc1 ZINC000414889086 386107260 /nfs/dbraw/zinc/10/72/60/386107260.db2.gz SPDZRFKCYIEFBF-XHSDSOJGSA-N 1 3 244.382 2.349 20 0 BEADHO CCc1cc(OC)ccc1C[NH2+]C[C@H](N)CC ZINC000414987129 386109619 /nfs/dbraw/zinc/10/96/19/386109619.db2.gz KGYZDAJUNFXUIM-CYBMUJFWSA-N 1 3 236.359 2.085 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC2(C)C)C1 ZINC000340254713 386119833 /nfs/dbraw/zinc/11/98/33/386119833.db2.gz FKYLTDAEYWDBMA-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCOC2(C)C)C1 ZINC000340254713 386119838 /nfs/dbraw/zinc/11/98/38/386119838.db2.gz FKYLTDAEYWDBMA-XQQFMLRXSA-N 1 3 240.391 2.016 20 0 BEADHO FC(F)(F)C1CC([NH2+][C@H]2CCCNCC2)C1 ZINC000335017808 386059547 /nfs/dbraw/zinc/05/95/47/386059547.db2.gz NOPFHNYPLLWHIR-KYHHOPLUSA-N 1 3 236.281 2.059 20 0 BEADHO C1CC12CCC([NH2+][C@H]1CCCNCC1)CC2 ZINC000335010795 386059609 /nfs/dbraw/zinc/05/96/09/386059609.db2.gz PPWYEGVZKVHRKJ-LBPRGKRZSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@H]1CC[C@@H]1[NH2+]CCCN(C)C(C)C ZINC000336771831 386063109 /nfs/dbraw/zinc/06/31/09/386063109.db2.gz WZUVBHZLWLONQL-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000414653879 386072186 /nfs/dbraw/zinc/07/21/86/386072186.db2.gz FIAUZWUGQSRHIK-QCEMKRCNSA-N 1 3 244.382 2.459 20 0 BEADHO CN(C)C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000335107019 386084400 /nfs/dbraw/zinc/08/44/00/386084400.db2.gz HLVKSTHAOVHBJT-LLVKDONJSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280085 386091491 /nfs/dbraw/zinc/09/14/91/386091491.db2.gz BYRGRJHGFINFQL-FDYHWXHSSA-N 1 3 228.355 2.197 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280085 386091496 /nfs/dbraw/zinc/09/14/96/386091496.db2.gz BYRGRJHGFINFQL-FDYHWXHSSA-N 1 3 228.355 2.197 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000414887748 386095386 /nfs/dbraw/zinc/09/53/86/386095386.db2.gz ZKEHWASEYRQDAF-AGIUHOORSA-N 1 3 220.360 2.363 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N(C1CC1)C1CCCCC1 ZINC000647877160 386145653 /nfs/dbraw/zinc/14/56/53/386145653.db2.gz JYQDGXAQWQTIFW-GFCCVEGCSA-N 1 3 222.376 2.393 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CCNC1 ZINC000414892769 386150417 /nfs/dbraw/zinc/15/04/17/386150417.db2.gz YIYUXJRZJZTJPX-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO COc1ccccc1C[C@H]1CCCN1CCC[NH3+] ZINC000414683807 386167512 /nfs/dbraw/zinc/16/75/12/386167512.db2.gz BXTRAVWZWYWANS-CQSZACIVSA-N 1 3 248.370 2.051 20 0 BEADHO Cc1ccccc1[C@H]1CCN(CCC[NH3+])C1 ZINC000414692771 386182796 /nfs/dbraw/zinc/18/27/96/386182796.db2.gz LPNMWSDMFASMGO-ZDUSSCGKSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccccc1[C@H]1CC[N@H+](CCCN)C1 ZINC000414692771 386182801 /nfs/dbraw/zinc/18/28/01/386182801.db2.gz LPNMWSDMFASMGO-ZDUSSCGKSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccccc1[C@H]1CC[N@@H+](CCCN)C1 ZINC000414692771 386182803 /nfs/dbraw/zinc/18/28/03/386182803.db2.gz LPNMWSDMFASMGO-ZDUSSCGKSA-N 1 3 218.344 2.133 20 0 BEADHO C[C@H](CC[NH3+])NC/C=C/c1ccccc1 ZINC000414890636 386131495 /nfs/dbraw/zinc/13/14/95/386131495.db2.gz UKQGSOOBOCNTCU-FZKGZDJFSA-N 1 3 204.317 2.027 20 0 BEADHO [NH3+]CCCN1CCC[C@H]1c1ccsc1 ZINC000414670355 386135034 /nfs/dbraw/zinc/13/50/34/386135034.db2.gz DBMPHTQXLYFYJT-NSHDSACASA-N 1 3 210.346 2.234 20 0 BEADHO c1ccc([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647874482 386139650 /nfs/dbraw/zinc/13/96/50/386139650.db2.gz ZSRCRDFIXHAXEU-HIFRSBDPSA-N 1 3 230.355 2.433 20 0 BEADHO c1csc([C@H]2CCCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647872812 386141325 /nfs/dbraw/zinc/14/13/25/386141325.db2.gz WXSJDKSHDPPKIF-NWDGAFQWSA-N 1 3 236.384 2.495 20 0 BEADHO c1coc([C@@H]2C[C@H]2NC2CC[NH+](C3CC3)CC2)c1 ZINC000414356015 386142595 /nfs/dbraw/zinc/14/25/95/386142595.db2.gz ZPFYSFUVBMQIJO-ZIAGYGMSSA-N 1 3 246.354 2.352 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccc(F)cc1 ZINC000414989587 386143676 /nfs/dbraw/zinc/14/36/76/386143676.db2.gz NPDVICNPWDXLBD-BXUZGUMPSA-N 1 3 238.350 2.474 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@H](CN)C[C@@H]2C)c1 ZINC000131677920 386214895 /nfs/dbraw/zinc/21/48/95/386214895.db2.gz DJCRXGQGHNOFAK-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@H](CN)C[C@@H]2C)c1 ZINC000131677920 386214900 /nfs/dbraw/zinc/21/49/00/386214900.db2.gz DJCRXGQGHNOFAK-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCC[NH3+] ZINC000414707109 386217035 /nfs/dbraw/zinc/21/70/35/386217035.db2.gz PBKJOHPPOVUFOY-AAEUAGOBSA-N 1 3 236.334 2.352 20 0 BEADHO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCN ZINC000414707109 386217037 /nfs/dbraw/zinc/21/70/37/386217037.db2.gz PBKJOHPPOVUFOY-AAEUAGOBSA-N 1 3 236.334 2.352 20 0 BEADHO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCCN ZINC000414707109 386217039 /nfs/dbraw/zinc/21/70/39/386217039.db2.gz PBKJOHPPOVUFOY-AAEUAGOBSA-N 1 3 236.334 2.352 20 0 BEADHO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)[C@H](C)N ZINC000415002053 386237238 /nfs/dbraw/zinc/23/72/38/386237238.db2.gz DEWLOWZHRGLKPA-CBZSPVTBSA-N 1 3 222.307 2.164 20 0 BEADHO Cc1ccccc1[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647883913 386245732 /nfs/dbraw/zinc/24/57/32/386245732.db2.gz JQPHPGOPQQYECN-LSDHHAIUSA-N 1 3 244.382 2.394 20 0 BEADHO CCCC[C@@H](COC)NC[C@]1(C)CCC[NH2+]C1 ZINC000414899527 386246737 /nfs/dbraw/zinc/24/67/37/386246737.db2.gz CLMDUZITDAASCT-UONOGXRCSA-N 1 3 242.407 2.171 20 0 BEADHO CCCC[C@@H](COC)[NH2+]C[C@]1(C)CCCNC1 ZINC000414899527 386246744 /nfs/dbraw/zinc/24/67/44/386246744.db2.gz CLMDUZITDAASCT-UONOGXRCSA-N 1 3 242.407 2.171 20 0 BEADHO Cc1ccc(C[C@@H](C)N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000647886089 386294476 /nfs/dbraw/zinc/29/44/76/386294476.db2.gz PZSZCUFLZUATQV-GDBMZVCRSA-N 1 3 246.398 2.467 20 0 BEADHO CCC[C@@]1(C)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647886118 386294620 /nfs/dbraw/zinc/29/46/20/386294620.db2.gz XKWLNKGAINCQJF-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](CCc1cccc(F)c1)N[C@H](C)[C@H](C)[NH3+] ZINC000415006383 386325018 /nfs/dbraw/zinc/32/50/18/386325018.db2.gz BIRQPBREOHWHCB-GRYCIOLGSA-N 1 3 238.350 2.472 20 0 BEADHO C[NH+](C)CCC1CCN(Cc2cccnc2)CC1 ZINC000339291720 386345779 /nfs/dbraw/zinc/34/57/79/386345779.db2.gz WCCCWBXPIBVLOX-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO CC[C@H]1Cc2ccccc2CN1C[C@@H]1CC[NH2+]C1 ZINC000647989241 386348334 /nfs/dbraw/zinc/34/83/34/386348334.db2.gz ZUUBRVLXARIXIJ-CJNGLKHVSA-N 1 3 244.382 2.433 20 0 BEADHO C([C@H]1CC[NH2+]C1)N1CCC(C2CCCC2)CC1 ZINC000647889960 386362934 /nfs/dbraw/zinc/36/29/34/386362934.db2.gz ALZDNXIMCHIHQO-ZDUSSCGKSA-N 1 3 236.403 2.498 20 0 BEADHO c1cncc(C[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000299316105 386439730 /nfs/dbraw/zinc/43/97/30/386439730.db2.gz GRZAGRMENIRNAE-UHFFFAOYSA-N 1 3 245.370 2.188 20 0 BEADHO CSc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000415008613 386390121 /nfs/dbraw/zinc/39/01/21/386390121.db2.gz MZDCWKLMNHDPQF-ZJUUUORDSA-N 1 3 224.373 2.234 20 0 BEADHO C[C@H](CCC(F)(F)F)NCC[C@H]1CCC[NH2+]1 ZINC000414909619 386409626 /nfs/dbraw/zinc/40/96/26/386409626.db2.gz TWENQSDEOBWRLI-NXEZZACHSA-N 1 3 238.297 2.449 20 0 BEADHO C[C@H](N)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664175 386412774 /nfs/dbraw/zinc/41/27/74/386412774.db2.gz LRWSUEPIAQFOKD-SWLSCSKDSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@H](N)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000442664175 386412778 /nfs/dbraw/zinc/41/27/78/386412778.db2.gz LRWSUEPIAQFOKD-SWLSCSKDSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@@H](N)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664167 386414186 /nfs/dbraw/zinc/41/41/86/386414186.db2.gz LRWSUEPIAQFOKD-DOMZBBRYSA-N 1 3 247.386 2.237 20 0 BEADHO C[C@@H](N)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000442664167 386414188 /nfs/dbraw/zinc/41/41/88/386414188.db2.gz LRWSUEPIAQFOKD-DOMZBBRYSA-N 1 3 247.386 2.237 20 0 BEADHO NC[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339408896 386415540 /nfs/dbraw/zinc/41/55/40/386415540.db2.gz FYTNTYMAZGTPPD-AWEZNQCLSA-N 1 3 248.370 2.126 20 0 BEADHO NC[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339408896 386415546 /nfs/dbraw/zinc/41/55/46/386415546.db2.gz FYTNTYMAZGTPPD-AWEZNQCLSA-N 1 3 248.370 2.126 20 0 BEADHO [NH3+]C[C@@H]1CCN(CCCCOc2ccccc2)C1 ZINC000339408896 386415552 /nfs/dbraw/zinc/41/55/52/386415552.db2.gz FYTNTYMAZGTPPD-AWEZNQCLSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1ccccc1 ZINC000093462328 386416761 /nfs/dbraw/zinc/41/67/61/386416761.db2.gz QURXJOUDYSAHGI-UKRRQHHQSA-N 1 3 232.371 2.349 20 0 BEADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccco3)C2)CC1 ZINC000290331654 386423509 /nfs/dbraw/zinc/42/35/09/386423509.db2.gz DURYXNJJFIGBHD-CQSZACIVSA-N 1 3 248.370 2.443 20 0 BEADHO CO[C@H](C)CN(CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000336714277 386432521 /nfs/dbraw/zinc/43/25/21/386432521.db2.gz QPHPUVCEJWYRBA-KGLIPLIRSA-N 1 3 242.407 2.216 20 0 BEADHO CO[C@H](C)CN(CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000336714277 386432526 /nfs/dbraw/zinc/43/25/26/386432526.db2.gz QPHPUVCEJWYRBA-KGLIPLIRSA-N 1 3 242.407 2.216 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccn1 ZINC000391194721 386474350 /nfs/dbraw/zinc/47/43/50/386474350.db2.gz RCEOAKWVZKCGNZ-OSAQELSMSA-N 1 3 247.386 2.208 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CCNCC1 ZINC000335453498 386529004 /nfs/dbraw/zinc/52/90/04/386529004.db2.gz WCBVSGQJGSXFMG-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]C1CCNCC1 ZINC000414780936 386498586 /nfs/dbraw/zinc/49/85/86/386498586.db2.gz MEQZZQPSRUTPQI-AWEZNQCLSA-N 1 3 232.371 2.349 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000415014986 386499980 /nfs/dbraw/zinc/49/99/80/386499980.db2.gz MQUADZKUHNETQZ-CMIOBCHKSA-N 1 3 240.297 2.303 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000415014988 386500910 /nfs/dbraw/zinc/50/09/10/386500910.db2.gz MQUADZKUHNETQZ-OHINUGQQSA-N 1 3 240.297 2.303 20 0 BEADHO CC(C)c1cnc(CN[C@H](C)CCC[NH3+])s1 ZINC000415019768 386508341 /nfs/dbraw/zinc/50/83/41/386508341.db2.gz ITVHDODGPORRKF-SNVBAGLBSA-N 1 3 241.404 2.484 20 0 BEADHO Cc1cc(C[NH2+][C@@H](C)[C@H](C)N)ccc1Cl ZINC000415024152 386515077 /nfs/dbraw/zinc/51/50/77/386515077.db2.gz YCLTUNZOSPAEDJ-UWVGGRQHSA-N 1 3 226.751 2.474 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000519643953 386516604 /nfs/dbraw/zinc/51/66/04/386516604.db2.gz WHVUNHNLEUTACD-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)CCC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415031240 386519710 /nfs/dbraw/zinc/51/97/10/386519710.db2.gz GADSFSNIUIKBCY-WUHRBBMRSA-N 1 3 210.365 2.009 20 0 BEADHO C1CCC2(C1)CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000335452731 386526666 /nfs/dbraw/zinc/52/66/66/386526666.db2.gz RKOABOJARSXNJA-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000094916676 386462458 /nfs/dbraw/zinc/46/24/58/386462458.db2.gz XOPUFNPFJZCSHV-CQSZACIVSA-N 1 3 247.386 2.293 20 0 BEADHO Cc1cccc(C)c1CCNC[C@]1(C)CC[NH2+]C1 ZINC000415077130 386576512 /nfs/dbraw/zinc/57/65/12/386576512.db2.gz DVYWCCUOBSVJIP-INIZCTEOSA-N 1 3 246.398 2.435 20 0 BEADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccccn1 ZINC000336644142 386586074 /nfs/dbraw/zinc/58/60/74/386586074.db2.gz BUURXPOQQGXHLM-NWDGAFQWSA-N 1 3 221.348 2.250 20 0 BEADHO c1c2ccccc2oc1CC[NH2+]C1CCNCC1 ZINC000415082650 386594979 /nfs/dbraw/zinc/59/49/79/386594979.db2.gz DMGMMIUDRIXMHK-UHFFFAOYSA-N 1 3 244.338 2.317 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1C ZINC000414788303 386531720 /nfs/dbraw/zinc/53/17/20/386531720.db2.gz DGNLUVRHYOJUDY-AWEZNQCLSA-N 1 3 220.360 2.376 20 0 BEADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCC1 ZINC000414918539 386546144 /nfs/dbraw/zinc/54/61/44/386546144.db2.gz UTTMZOABGIYFFC-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)C[C@@H](C)CN[C@H]1CCCC[NH2+]C1 ZINC000415069132 386551528 /nfs/dbraw/zinc/55/15/28/386551528.db2.gz GCNWHMOJKUQPEZ-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000414794276 386558358 /nfs/dbraw/zinc/55/83/58/386558358.db2.gz LQNQHSNKWTVVHE-OCCSQVGLSA-N 1 3 236.334 2.351 20 0 BEADHO Cc1cccc(C[NH2+]C[C@@H](N)C(C)C)c1C ZINC000414794840 386560725 /nfs/dbraw/zinc/56/07/25/386560725.db2.gz MGUUBVUCDDMQKI-CQSZACIVSA-N 1 3 220.360 2.376 20 0 BEADHO CC(C)(N)C[NH2+]C/C=C/c1ccccc1 ZINC000414796494 386566664 /nfs/dbraw/zinc/56/66/64/386566664.db2.gz BXEPKHADQQJISK-RMKNXTFCSA-N 1 3 204.317 2.027 20 0 BEADHO C[C@H](CNCC(C)(C)[NH3+])Cc1ccccc1 ZINC000414809600 386620183 /nfs/dbraw/zinc/62/01/83/386620183.db2.gz VSHBQPCETXJMLS-LBPRGKRZSA-N 1 3 220.360 2.192 20 0 BEADHO CNCCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000647997633 386621042 /nfs/dbraw/zinc/62/10/42/386621042.db2.gz UMUFGRWKVZQIHT-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CNCCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997633 386621048 /nfs/dbraw/zinc/62/10/48/386621048.db2.gz UMUFGRWKVZQIHT-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H](CCc1ccccc1F)NCC(C)(C)[NH3+] ZINC000414809635 386621406 /nfs/dbraw/zinc/62/14/06/386621406.db2.gz VVYUZBVRAUWJEO-LLVKDONJSA-N 1 3 238.350 2.474 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000442759905 386630636 /nfs/dbraw/zinc/63/06/36/386630636.db2.gz SPXRBCGITHWYBN-XJKSGUPXSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000442759905 386630642 /nfs/dbraw/zinc/63/06/42/386630642.db2.gz SPXRBCGITHWYBN-XJKSGUPXSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CCN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442759905 386630644 /nfs/dbraw/zinc/63/06/44/386630644.db2.gz SPXRBCGITHWYBN-XJKSGUPXSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CC[N@@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000442759900 386631174 /nfs/dbraw/zinc/63/11/74/386631174.db2.gz SPXRBCGITHWYBN-BBRMVZONSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CC[N@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000442759900 386631176 /nfs/dbraw/zinc/63/11/76/386631176.db2.gz SPXRBCGITHWYBN-BBRMVZONSA-N 1 3 246.398 2.461 20 0 BEADHO CCc1ccc(CCN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442759900 386631179 /nfs/dbraw/zinc/63/11/79/386631179.db2.gz SPXRBCGITHWYBN-BBRMVZONSA-N 1 3 246.398 2.461 20 0 BEADHO CN(Cc1ccccc1)CC(C)(C)C[NH3+] ZINC000049813625 386656125 /nfs/dbraw/zinc/65/61/25/386656125.db2.gz PCFWAVKWNWBGNT-UHFFFAOYSA-N 1 3 206.333 2.103 20 0 BEADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN ZINC000049813625 386656128 /nfs/dbraw/zinc/65/61/28/386656128.db2.gz PCFWAVKWNWBGNT-UHFFFAOYSA-N 1 3 206.333 2.103 20 0 BEADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN ZINC000049813625 386656134 /nfs/dbraw/zinc/65/61/34/386656134.db2.gz PCFWAVKWNWBGNT-UHFFFAOYSA-N 1 3 206.333 2.103 20 0 BEADHO Cc1csc(CNC2CCC(C[NH3+])CC2)n1 ZINC000415085094 386600928 /nfs/dbraw/zinc/60/09/28/386600928.db2.gz QFTBEWJABZKHSZ-UHFFFAOYSA-N 1 3 239.388 2.059 20 0 BEADHO Cc1ccccc1C[NH2+]C[C@@H](N)C(C)C ZINC000414805457 386602142 /nfs/dbraw/zinc/60/21/42/386602142.db2.gz YNGVFQLZQOMYEZ-CYBMUJFWSA-N 1 3 206.333 2.068 20 0 BEADHO C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)Cc1ccccc1 ZINC000414922965 386602410 /nfs/dbraw/zinc/60/24/10/386602410.db2.gz GPHDQXSXADLLOA-LZWOXQAQSA-N 1 3 246.398 2.453 20 0 BEADHO Cc1cccc(C)c1C[NH2+]C[C@H](N)C(C)C ZINC000414803900 386605485 /nfs/dbraw/zinc/60/54/85/386605485.db2.gz XAQIVDKMRZTKEC-AWEZNQCLSA-N 1 3 220.360 2.376 20 0 BEADHO C[C@H](CCc1ccc(F)cc1)NCC(C)(C)[NH3+] ZINC000414804124 386605568 /nfs/dbraw/zinc/60/55/68/386605568.db2.gz MVZHGVCANCODDI-LLVKDONJSA-N 1 3 238.350 2.474 20 0 BEADHO CC[C@H](N[C@H](C)C[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000415090105 386610426 /nfs/dbraw/zinc/61/04/26/386610426.db2.gz ZYCYCQWUYYYGEV-MQYQWHSLSA-N 1 3 240.391 2.064 20 0 BEADHO Cc1ccccc1CCNC[C@@]1(C)CC[NH2+]C1 ZINC000415093495 386613143 /nfs/dbraw/zinc/61/31/43/386613143.db2.gz VKHDADZOIUETQW-OAHLLOKOSA-N 1 3 232.371 2.127 20 0 BEADHO C[C@H](N[C@H]1CCCC[NH2+]C1)C1CCSCC1 ZINC000335493671 386613549 /nfs/dbraw/zinc/61/35/49/386613549.db2.gz CCVAPOQULHFZFQ-AAEUAGOBSA-N 1 3 242.432 2.250 20 0 BEADHO C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCCN1 ZINC000414820062 386663389 /nfs/dbraw/zinc/66/33/89/386663389.db2.gz ACQVPDXUPYJIQA-MJBXVCDLSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CCC1 ZINC000414818686 386667062 /nfs/dbraw/zinc/66/70/62/386667062.db2.gz FSVRVCVXZUMXTC-GVXVVHGQSA-N 1 3 210.365 2.153 20 0 BEADHO CCCC1CCC(CNCC[NH2+]C)CC1 ZINC000414821448 386676335 /nfs/dbraw/zinc/67/63/35/386676335.db2.gz FBDAJWWQIVKWBK-UHFFFAOYSA-N 1 3 212.381 2.402 20 0 BEADHO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCNC1 ZINC000414824026 386680080 /nfs/dbraw/zinc/68/00/80/386680080.db2.gz PWWKNZCHHMMNDI-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)NCC[C@H](C)[NH3+] ZINC000414823769 386680707 /nfs/dbraw/zinc/68/07/07/386680707.db2.gz PIYBNEBDNUFYNG-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CC[C@H](C)N ZINC000414823769 386680714 /nfs/dbraw/zinc/68/07/14/386680714.db2.gz PIYBNEBDNUFYNG-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](C[NH2+]C[C@@H]1CCCNC1)Cc1ccccc1 ZINC000414831006 386710544 /nfs/dbraw/zinc/71/05/44/386710544.db2.gz PBRBLCAFMCIHOU-GDBMZVCRSA-N 1 3 246.398 2.454 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000414825141 386687204 /nfs/dbraw/zinc/68/72/04/386687204.db2.gz SANZXOQVZJTACX-WCFLWFBJSA-N 1 3 210.365 2.282 20 0 BEADHO CC[NH2+]CCN[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000414830237 386705443 /nfs/dbraw/zinc/70/54/43/386705443.db2.gz NRTAWVNNNDKWJP-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@@H]([NH2+]C1CCNCC1)C1CCC1 ZINC000324969434 386706266 /nfs/dbraw/zinc/70/62/66/386706266.db2.gz ZTDUWDYIFABEKO-CYBMUJFWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)CCN1 ZINC000335540280 386719041 /nfs/dbraw/zinc/71/90/41/386719041.db2.gz ZZWWUXWHZMFRNT-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414834872 386725061 /nfs/dbraw/zinc/72/50/61/386725061.db2.gz HZKGPGVNBXCIHG-YUTCNCBUSA-N 1 3 224.392 2.400 20 0 BEADHO CN(C)CCSCC[C@H]1CCCC[N@@H+]1C ZINC000340697112 386727054 /nfs/dbraw/zinc/72/70/54/386727054.db2.gz OTAUOFYIQCEWPK-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CN(C)CCSCC[C@H]1CCCC[N@H+]1C ZINC000340697112 386727058 /nfs/dbraw/zinc/72/70/58/386727058.db2.gz OTAUOFYIQCEWPK-GFCCVEGCSA-N 1 3 230.421 2.156 20 0 BEADHO CC[NH2+]CCN[C@@H](CC)C[C@H](C)CC ZINC000414835562 386727383 /nfs/dbraw/zinc/72/73/83/386727383.db2.gz VDOKHXVVPRGKOV-NEPJUHHUSA-N 1 3 200.370 2.400 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CCC(F)(F)F ZINC000414839741 386746187 /nfs/dbraw/zinc/74/61/87/386746187.db2.gz MOWRJAMVIJLKOF-RKDXNWHRSA-N 1 3 226.286 2.163 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000414843095 386756900 /nfs/dbraw/zinc/75/69/00/386756900.db2.gz JJDDOWGXIXYKPD-RYUDHWBXSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414843692 386766767 /nfs/dbraw/zinc/76/67/67/386766767.db2.gz KINJMZCTXWBCDU-NXEZZACHSA-N 1 3 238.297 2.307 20 0 BEADHO CC1(C)CCC[NH2+][C@H]1CNC[C@@H]1CCSC1 ZINC000414931846 386766801 /nfs/dbraw/zinc/76/68/01/386766801.db2.gz RXPOPHPMTMCQFH-RYUDHWBXSA-N 1 3 242.432 2.107 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417959256 386824551 /nfs/dbraw/zinc/82/45/51/386824551.db2.gz LPGYIAOLQDSPCB-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2COC(C)(C)C2)C1 ZINC000417959256 386824554 /nfs/dbraw/zinc/82/45/54/386824554.db2.gz LPGYIAOLQDSPCB-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO CCc1oc2ccccc2c1C[NH2+][C@H](C)CN ZINC000414936784 386829830 /nfs/dbraw/zinc/82/98/30/386829830.db2.gz WDXZKYGNDWNRAS-SNVBAGLBSA-N 1 3 232.327 2.432 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)CNC ZINC000414847149 386833037 /nfs/dbraw/zinc/83/30/37/386833037.db2.gz VIMOMEFUEMFBAE-HIFRSBDPSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC[C@H](C)C[NH2+]C ZINC000414847149 386833043 /nfs/dbraw/zinc/83/30/43/386833043.db2.gz VIMOMEFUEMFBAE-HIFRSBDPSA-N 1 3 234.387 2.453 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000093516496 386835907 /nfs/dbraw/zinc/83/59/07/386835907.db2.gz LVQWYOFXJINCOT-BFHYXJOUSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@H](CCCCO)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398538508 386837126 /nfs/dbraw/zinc/83/71/26/386837126.db2.gz UBZKTNSUIGXBNT-BYCMXARLSA-N 1 3 248.370 2.272 20 0 BEADHO CCOc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414938291 386848563 /nfs/dbraw/zinc/84/85/63/386848563.db2.gz IHMFVQVMKWDVJB-UHFFFAOYSA-N 1 3 248.370 2.317 20 0 BEADHO C[C@H](CCC[NH3+])NCc1ccc(F)cc1F ZINC000336674517 386852960 /nfs/dbraw/zinc/85/29/60/386852960.db2.gz UUQBKHNOHMVAHH-SECBINFHSA-N 1 3 228.286 2.182 20 0 BEADHO CCOC[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000357847511 386854514 /nfs/dbraw/zinc/85/45/14/386854514.db2.gz JGHAFTKPPDQHQY-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCOC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357847511 386854520 /nfs/dbraw/zinc/85/45/20/386854520.db2.gz JGHAFTKPPDQHQY-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1c[nH+]ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000335749658 386875183 /nfs/dbraw/zinc/87/51/83/386875183.db2.gz FPEFIEJAELCBAQ-AWEZNQCLSA-N 1 3 245.370 2.455 20 0 BEADHO Cc1cnccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000335749658 386875188 /nfs/dbraw/zinc/87/51/88/386875188.db2.gz FPEFIEJAELCBAQ-AWEZNQCLSA-N 1 3 245.370 2.455 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCN1 ZINC000414941966 386897635 /nfs/dbraw/zinc/89/76/35/386897635.db2.gz DCTDMQHBUYGENN-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@@H]2C)c(C)c1 ZINC000334853617 386904068 /nfs/dbraw/zinc/90/40/68/386904068.db2.gz FAKOIAUYVCNPIO-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCNCC1 ZINC000334866408 386924755 /nfs/dbraw/zinc/92/47/55/386924755.db2.gz QDNRLGBWNBHYDY-ABAIWWIYSA-N 1 3 230.355 2.262 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC1 ZINC000093977909 386927260 /nfs/dbraw/zinc/92/72/60/386927260.db2.gz WFDMGXKNUNUYAG-KGYLQXTDSA-N 1 3 208.349 2.001 20 0 BEADHO CC(C)(C)C[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332018336 386941906 /nfs/dbraw/zinc/94/19/06/386941906.db2.gz QNTCPCDHUQXRPN-RWMBFGLXSA-N 1 3 242.407 2.033 20 0 BEADHO CC[NH+](CC)CCCN[C@@H]1CC[C@@H]1SC ZINC000425356534 386968791 /nfs/dbraw/zinc/96/87/91/386968791.db2.gz PLZLLVFKSYPWGO-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425356534 386968798 /nfs/dbraw/zinc/96/87/98/386968798.db2.gz PLZLLVFKSYPWGO-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO CC[NH+](CC)CCCN[C@H]1CC[C@H]1SC ZINC000425356535 386969019 /nfs/dbraw/zinc/96/90/19/386969019.db2.gz PLZLLVFKSYPWGO-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO CCN(CC)CCC[NH2+][C@H]1CC[C@H]1SC ZINC000425356535 386969026 /nfs/dbraw/zinc/96/90/26/386969026.db2.gz PLZLLVFKSYPWGO-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000104137728 387001094 /nfs/dbraw/zinc/00/10/94/387001094.db2.gz ODTFPNSIYJQEDM-RYUDHWBXSA-N 1 3 233.359 2.202 20 0 BEADHO CCOc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000126904083 387072639 /nfs/dbraw/zinc/07/26/39/387072639.db2.gz BAXMBCKYOZUBNV-TZMCWYRMSA-N 1 3 248.370 2.254 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CCOc1ccccc1 ZINC000111380561 387077876 /nfs/dbraw/zinc/07/78/76/387077876.db2.gz CGQYQFVSXUHDCN-AWEZNQCLSA-N 1 3 248.370 2.269 20 0 BEADHO C[C@H](CO)CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228274108 387085416 /nfs/dbraw/zinc/08/54/16/387085416.db2.gz PHBVAWGBXAPJPW-GLQYFDAESA-N 1 3 248.370 2.129 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC000228476409 387088094 /nfs/dbraw/zinc/08/80/94/387088094.db2.gz WBTDBTBXAMNBMC-NWANDNLSSA-N 1 3 248.345 2.385 20 0 BEADHO [NH3+]C[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC000334998252 387090576 /nfs/dbraw/zinc/09/05/76/387090576.db2.gz MXVCDUAJPSKNBP-ABAIWWIYSA-N 1 3 248.345 2.484 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000250262664 387112878 /nfs/dbraw/zinc/11/28/78/387112878.db2.gz DVDAHRXMHABHPY-OLZOCXBDSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000250262664 387112880 /nfs/dbraw/zinc/11/28/80/387112880.db2.gz DVDAHRXMHABHPY-OLZOCXBDSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1ccccc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000250262664 387112885 /nfs/dbraw/zinc/11/28/85/387112885.db2.gz DVDAHRXMHABHPY-OLZOCXBDSA-N 1 3 232.371 2.418 20 0 BEADHO Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000335025418 387115886 /nfs/dbraw/zinc/11/58/86/387115886.db2.gz RREWFJMJOPTARB-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccccc1 ZINC000335024911 387116746 /nfs/dbraw/zinc/11/67/46/387116746.db2.gz PMGFEVZELPQVIY-GXTWGEPZSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000228821742 387122893 /nfs/dbraw/zinc/12/28/93/387122893.db2.gz HSGQEBFLXRMXIJ-HIFRSBDPSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000228821742 387122896 /nfs/dbraw/zinc/12/28/96/387122896.db2.gz HSGQEBFLXRMXIJ-HIFRSBDPSA-N 1 3 232.371 2.425 20 0 BEADHO CCCC[C@@H](C[NH3+])N[C@H](C)Cc1ccoc1 ZINC000423299684 387129352 /nfs/dbraw/zinc/12/93/52/387129352.db2.gz QKPSVWAGYZAKRZ-YPMHNXCESA-N 1 3 224.348 2.318 20 0 BEADHO CCCC[C@@H](C[NH3+])N[C@@H](C)Cc1ccoc1 ZINC000423299681 387130046 /nfs/dbraw/zinc/13/00/46/387130046.db2.gz QKPSVWAGYZAKRZ-AAEUAGOBSA-N 1 3 224.348 2.318 20 0 BEADHO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423298759 387130080 /nfs/dbraw/zinc/13/00/80/387130080.db2.gz AFYDAFMHLXTROT-HOTGVXAUSA-N 1 3 244.382 2.440 20 0 BEADHO Cc1ccc([C@@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423298759 387130086 /nfs/dbraw/zinc/13/00/86/387130086.db2.gz AFYDAFMHLXTROT-HOTGVXAUSA-N 1 3 244.382 2.440 20 0 BEADHO CC(C)CC[C@@H]([NH2+]C[C@H](C)CN)C1CC1 ZINC000423306062 387141463 /nfs/dbraw/zinc/14/14/63/387141463.db2.gz LDAFPLXTWKVSNE-DGCLKSJQSA-N 1 3 212.381 2.386 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1cccc(F)c1 ZINC000423305633 387141980 /nfs/dbraw/zinc/14/19/80/387141980.db2.gz KUDYPFCZMFNYRK-GWCFXTLKSA-N 1 3 224.323 2.461 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1cccc(F)c1 ZINC000423305636 387141985 /nfs/dbraw/zinc/14/19/85/387141985.db2.gz KUDYPFCZMFNYRK-ZWNOBZJWSA-N 1 3 224.323 2.461 20 0 BEADHO CCC[NH2+]CCN[C@@H](C)C1CCSCC1 ZINC000423307949 387143338 /nfs/dbraw/zinc/14/33/38/387143338.db2.gz IIXHJUOMCMBXFN-NSHDSACASA-N 1 3 230.421 2.107 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423308535 387144420 /nfs/dbraw/zinc/14/44/20/387144420.db2.gz OREDLPKICYYART-ZWNOBZJWSA-N 1 3 210.365 2.140 20 0 BEADHO CCC[C@H](Cc1ccccc1)[NH2+]CC1CNC1 ZINC000423308681 387144555 /nfs/dbraw/zinc/14/45/55/387144555.db2.gz YDCDDXAQBBPCFL-OAHLLOKOSA-N 1 3 232.371 2.207 20 0 BEADHO CCC[C@H](Cc1ccccc1)NCC1C[NH2+]C1 ZINC000423308681 387144558 /nfs/dbraw/zinc/14/45/58/387144558.db2.gz YDCDDXAQBBPCFL-OAHLLOKOSA-N 1 3 232.371 2.207 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)c(C)c1 ZINC000423310391 387146118 /nfs/dbraw/zinc/14/61/18/387146118.db2.gz AGBDJPXRLJLEQB-ABAIWWIYSA-N 1 3 248.370 2.392 20 0 BEADHO COc1cccc([C@H](C)[NH2+]C[C@H](N)C2CC2)c1 ZINC000423310400 387147250 /nfs/dbraw/zinc/14/72/50/387147250.db2.gz AHLVODVCNQWPGU-HZMBPMFUSA-N 1 3 234.343 2.083 20 0 BEADHO CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)C1(C)C ZINC000423311487 387149710 /nfs/dbraw/zinc/14/97/10/387149710.db2.gz UBELJDWFSNBGFQ-RWMBFGLXSA-N 1 3 242.407 2.011 20 0 BEADHO C[C@@H](CN)C[NH2+][C@H]1CCCC12CCCC2 ZINC000423313246 387151187 /nfs/dbraw/zinc/15/11/87/387151187.db2.gz WQSYEGOIFPEXQV-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423342520 387192838 /nfs/dbraw/zinc/19/28/38/387192838.db2.gz YWPSKXJSILCNOC-LLVKDONJSA-N 1 3 234.343 2.227 20 0 BEADHO N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000423316501 387156193 /nfs/dbraw/zinc/15/61/93/387156193.db2.gz JSSQSPODHAZMBM-KBPBESRZSA-N 1 3 216.328 2.001 20 0 BEADHO CC(C)O[C@H]1C[C@H](NCC2([NH3+])CCC2)C1(C)C ZINC000423315960 387157054 /nfs/dbraw/zinc/15/70/54/387157054.db2.gz BHVDIRCNJSDQDW-RYUDHWBXSA-N 1 3 240.391 2.050 20 0 BEADHO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)C1(C)C ZINC000423316191 387157249 /nfs/dbraw/zinc/15/72/49/387157249.db2.gz ZQTJDWNOMFPSBO-YNEHKIRRSA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000423318160 387159037 /nfs/dbraw/zinc/15/90/37/387159037.db2.gz CFDVBFRFQDUEMN-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO CCC1(CC)[C@H](NCC2([NH3+])CCC2)C[C@H]1OC ZINC000423319996 387162478 /nfs/dbraw/zinc/16/24/78/387162478.db2.gz FYGGTZKPXHESDL-VXGBXAGGSA-N 1 3 240.391 2.051 20 0 BEADHO N[C@H](C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000423323892 387167416 /nfs/dbraw/zinc/16/74/16/387167416.db2.gz PCQVBWSPVXPSSR-VXGBXAGGSA-N 1 3 236.384 2.452 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccs1 ZINC000423330704 387174784 /nfs/dbraw/zinc/17/47/84/387174784.db2.gz PTGXRLKYIPKIER-SECBINFHSA-N 1 3 210.346 2.280 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N)CCC1 ZINC000423330636 387176502 /nfs/dbraw/zinc/17/65/02/387176502.db2.gz PLWIEMWQZZJNME-JSGCOSHPSA-N 1 3 248.370 2.234 20 0 BEADHO CCC1CC([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000423332259 387177451 /nfs/dbraw/zinc/17/74/51/387177451.db2.gz HEZFBJBIEYAVLH-BPCQOVAHSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@@H]([NH2+]CC1(N)CCC1)c1cccnc1 ZINC000423341982 387189905 /nfs/dbraw/zinc/18/99/05/387189905.db2.gz YRDZYNKDWLZKSK-CYBMUJFWSA-N 1 3 233.359 2.394 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1c2ccccc2C[C@@H]1C ZINC000423299938 387133276 /nfs/dbraw/zinc/13/32/76/387133276.db2.gz QODDEZIJDQBZIP-UHIISALHSA-N 1 3 218.344 2.104 20 0 BEADHO CC(C)(C)[C@H]1CC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423300736 387133506 /nfs/dbraw/zinc/13/35/06/387133506.db2.gz FFIKPTSZOWRXDZ-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cccc(CC[C@@H](C)[NH2+]CC2CNC2)c1 ZINC000423302138 387135502 /nfs/dbraw/zinc/13/55/02/387135502.db2.gz IXQIHOYGAPRNDZ-CYBMUJFWSA-N 1 3 232.371 2.125 20 0 BEADHO Cc1cccc(CC[C@@H](C)NCC2C[NH2+]C2)c1 ZINC000423302138 387135503 /nfs/dbraw/zinc/13/55/03/387135503.db2.gz IXQIHOYGAPRNDZ-CYBMUJFWSA-N 1 3 232.371 2.125 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)CN ZINC000423301801 387135825 /nfs/dbraw/zinc/13/58/25/387135825.db2.gz GNJPRYDJPZNAGJ-XQHKEYJVSA-N 1 3 212.381 2.386 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000423346504 387194124 /nfs/dbraw/zinc/19/41/24/387194124.db2.gz PVOGTQFMKQEYFK-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO c1ccc([C@H]2CC[C@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423304411 387138743 /nfs/dbraw/zinc/13/87/43/387138743.db2.gz NUJYCFYHQDHZIC-GJZGRUSLSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@H]2CC[C@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423304411 387138749 /nfs/dbraw/zinc/13/87/49/387138749.db2.gz NUJYCFYHQDHZIC-GJZGRUSLSA-N 1 3 230.355 2.132 20 0 BEADHO CCC[NH2+]CCN[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000423305459 387138779 /nfs/dbraw/zinc/13/87/79/387138779.db2.gz BZYUVRFELLVELG-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](C[NH3+])CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000423304360 387139004 /nfs/dbraw/zinc/13/90/04/387139004.db2.gz YLEVYPPEJCRYPM-YGRLFVJLSA-N 1 3 236.334 2.461 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119518547 387139280 /nfs/dbraw/zinc/13/92/80/387139280.db2.gz XZHWNNRZIWAMPW-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119518547 387139287 /nfs/dbraw/zinc/13/92/87/387139287.db2.gz XZHWNNRZIWAMPW-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCC12CCC2 ZINC000423361376 387212820 /nfs/dbraw/zinc/21/28/20/387212820.db2.gz RWGGKIVRVIVTCS-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCSCC1 ZINC000423371773 387223017 /nfs/dbraw/zinc/22/30/17/387223017.db2.gz FQWAEWGIWLHJSL-NQBHXWOUSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1C[C@H]1C ZINC000423371755 387227602 /nfs/dbraw/zinc/22/76/02/387227602.db2.gz AUEXVVVRCPVCDE-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC[C@H]1C ZINC000423425837 387253350 /nfs/dbraw/zinc/25/33/50/387253350.db2.gz HGQQKHNJIBLGQS-XNJGVTPASA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423396997 387231562 /nfs/dbraw/zinc/23/15/62/387231562.db2.gz NYWWEQUZRSUURU-ZOBORPQBSA-N 1 3 242.382 2.492 20 0 BEADHO C[NH2+][C@H](C)CN[C@@H](Cc1ccccc1)C(C)C ZINC000423400857 387234670 /nfs/dbraw/zinc/23/46/70/387234670.db2.gz VIPGREXGSLBIMT-HIFRSBDPSA-N 1 3 234.387 2.451 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000423406327 387243092 /nfs/dbraw/zinc/24/30/92/387243092.db2.gz UQJWGSUAWYLLMI-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423407834 387243177 /nfs/dbraw/zinc/24/31/77/387243177.db2.gz WKQCSZSYFLWSON-BJJPWKGXSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000423406322 387243951 /nfs/dbraw/zinc/24/39/51/387243951.db2.gz UQJWGSUAWYLLMI-AGIUHOORSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](C[NH3+])N[C@@H](C)CCc1c(F)cccc1F ZINC000423408411 387244065 /nfs/dbraw/zinc/24/40/65/387244065.db2.gz XLVUOSKJCKBJOT-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000423406326 387244067 /nfs/dbraw/zinc/24/40/67/387244067.db2.gz UQJWGSUAWYLLMI-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO CCC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)(C)C ZINC000423420146 387249371 /nfs/dbraw/zinc/24/93/71/387249371.db2.gz AYWDOQCAQFKUCS-WHOHXGKFSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)C1CC([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000423347688 387197421 /nfs/dbraw/zinc/19/74/21/387197421.db2.gz RSBJJHIRNMRWCF-JXQTWKCFSA-N 1 3 224.392 2.400 20 0 BEADHO CCC[C@H](NCC1=CC[NH2+]CC1)c1cccnc1 ZINC000423347769 387198017 /nfs/dbraw/zinc/19/80/17/387198017.db2.gz RBHUNGANTHHVPQ-HNNXBMFYSA-N 1 3 245.370 2.432 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423466315 387314926 /nfs/dbraw/zinc/31/49/26/387314926.db2.gz NJIWPFITFLWVNU-VHSXEESVSA-N 1 3 212.362 2.444 20 0 BEADHO CCCC[C@H](C)[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423429481 387254737 /nfs/dbraw/zinc/25/47/37/387254737.db2.gz LOAZXTDEYORYOM-OBPIAQAESA-N 1 3 210.365 2.009 20 0 BEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)[C@H](C)N ZINC000423470906 387317228 /nfs/dbraw/zinc/31/72/28/387317228.db2.gz PKKMMMGBWACCGN-OPDFLTKYSA-N 1 3 236.359 2.088 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H]2CCO[C@@H]2C)CC1 ZINC000120658775 387262299 /nfs/dbraw/zinc/26/22/99/387262299.db2.gz KKTSYRFGLFLFPN-TZMCWYRMSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423470279 387317368 /nfs/dbraw/zinc/31/73/68/387317368.db2.gz PCXPBYWFTKZUHK-BXUZGUMPSA-N 1 3 233.359 2.260 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000423389757 387273175 /nfs/dbraw/zinc/27/31/75/387273175.db2.gz JQMOGUDYFBUPFX-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423470285 387317768 /nfs/dbraw/zinc/31/77/68/387317768.db2.gz PCXPBYWFTKZUHK-SMDDNHRTSA-N 1 3 233.359 2.260 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCCC3)CCN1 ZINC000423394534 387280692 /nfs/dbraw/zinc/28/06/92/387280692.db2.gz ZWQCCFNKDHPXPJ-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCCC3)CCN1 ZINC000423394536 387282220 /nfs/dbraw/zinc/28/22/20/387282220.db2.gz ZWQCCFNKDHPXPJ-FRRDWIJNSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccc(OC)c1 ZINC000423433344 387283614 /nfs/dbraw/zinc/28/36/14/387283614.db2.gz CFOPZZZHFGUMMZ-WDMOLILDSA-N 1 3 236.359 2.472 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)(C)c1ccccc1 ZINC000423431550 387284832 /nfs/dbraw/zinc/28/48/32/387284832.db2.gz LTYSHONPBOQKES-SPWCGHHHSA-N 1 3 244.382 2.160 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCCC1 ZINC000423434110 387286734 /nfs/dbraw/zinc/28/67/34/387286734.db2.gz NVJDHXUQUQXTJY-ZZVYKPCYSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423471786 387319297 /nfs/dbraw/zinc/31/92/97/387319297.db2.gz PZPJTNCHOKEXRM-FZMZJTMJSA-N 1 3 234.343 2.009 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)[C@@H](C)N ZINC000423444272 387292317 /nfs/dbraw/zinc/29/23/17/387292317.db2.gz LNLZKBSTSDCOQO-ZETOZRRWSA-N 1 3 248.370 2.398 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)N ZINC000423449566 387297734 /nfs/dbraw/zinc/29/77/34/387297734.db2.gz RUXLIRNXFYKPJQ-SUNKGSAMSA-N 1 3 218.344 2.308 20 0 BEADHO CC(C)CO[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423454122 387301380 /nfs/dbraw/zinc/30/13/80/387301380.db2.gz YPJZIHBIKQARQG-ZDEQEGDKSA-N 1 3 242.407 2.151 20 0 BEADHO CCC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccnc1 ZINC000423453730 387301658 /nfs/dbraw/zinc/30/16/58/387301658.db2.gz XYFNCFFRBRKSRF-WZRBSPASSA-N 1 3 221.348 2.248 20 0 BEADHO CC[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423457760 387306310 /nfs/dbraw/zinc/30/63/10/387306310.db2.gz PMOCTIPCSNEPFL-CMPLNLGQSA-N 1 3 239.338 2.389 20 0 BEADHO C(NC1CCC2(CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000643502271 387363614 /nfs/dbraw/zinc/36/36/14/387363614.db2.gz BFLYIEZPENYPPB-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CC1(C)C ZINC000423541764 387365969 /nfs/dbraw/zinc/36/59/69/387365969.db2.gz AAFOMUUPLFDZHI-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000643453647 387371212 /nfs/dbraw/zinc/37/12/12/387371212.db2.gz OVLJGZUXLVNJDY-GVXVVHGQSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1Cc2ccccc21 ZINC000643453647 387371218 /nfs/dbraw/zinc/37/12/18/387371218.db2.gz OVLJGZUXLVNJDY-GVXVVHGQSA-N 1 3 218.344 2.042 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CCCC12CCC2 ZINC000423550951 387373807 /nfs/dbraw/zinc/37/38/07/387373807.db2.gz IUUBNLRXIKMPNR-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCNC1CC1 ZINC000423561693 387377955 /nfs/dbraw/zinc/37/79/55/387377955.db2.gz PZJXXZJSVXMFOH-BNOWGMLFSA-N 1 3 222.376 2.297 20 0 BEADHO CO[C@@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000372707097 387322165 /nfs/dbraw/zinc/32/21/65/387322165.db2.gz RXEVACKBGRLNJU-LBPRGKRZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423474360 387322201 /nfs/dbraw/zinc/32/22/01/387322201.db2.gz HFZZVPZCMNNBSK-QWHCGFSZSA-N 1 3 233.359 2.264 20 0 BEADHO CO[C@H](C)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000372707096 387322406 /nfs/dbraw/zinc/32/24/06/387322406.db2.gz RXEVACKBGRLNJU-GFCCVEGCSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cs1 ZINC000423478095 387324519 /nfs/dbraw/zinc/32/45/19/387324519.db2.gz UKQGBLXULOZNEN-BBBLOLIVSA-N 1 3 212.362 2.443 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423484236 387328730 /nfs/dbraw/zinc/32/87/30/387328730.db2.gz YLHJWMMWXIFKJY-UONOGXRCSA-N 1 3 233.359 2.250 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423486343 387333628 /nfs/dbraw/zinc/33/36/28/387333628.db2.gz WJCILUSUNVTIKH-UKRRQHHQSA-N 1 3 247.386 2.184 20 0 BEADHO Cc1cc(N)cc(C[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000423486343 387333631 /nfs/dbraw/zinc/33/36/31/387333631.db2.gz WJCILUSUNVTIKH-UKRRQHHQSA-N 1 3 247.386 2.184 20 0 BEADHO Cc1ccc([C@H](C)N[C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000423492221 387336394 /nfs/dbraw/zinc/33/63/94/387336394.db2.gz MFXDMRBKKQJABO-TUAOUCFPSA-N 1 3 222.332 2.366 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]Cc2cnccc2C)C1 ZINC000354147987 387336507 /nfs/dbraw/zinc/33/65/07/387336507.db2.gz VVWLIYICKLXHAJ-AWEZNQCLSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1nc([C@H](C)N[C@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000423493554 387338517 /nfs/dbraw/zinc/33/85/17/387338517.db2.gz BVWYNUIDJNSPIN-GDPRMGEGSA-N 1 3 239.388 2.230 20 0 BEADHO CC(C)=CCC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000423506030 387345725 /nfs/dbraw/zinc/34/57/25/387345725.db2.gz GXSKKGYTBKSPPE-KBPBESRZSA-N 1 3 240.391 2.089 20 0 BEADHO CCSCC[N@@H+]1CCCC12CCN(C)CC2 ZINC000374324430 387443668 /nfs/dbraw/zinc/44/36/68/387443668.db2.gz MCBQEGPNECPUFW-UHFFFAOYSA-N 1 3 242.432 2.300 20 0 BEADHO CCSCC[N@H+]1CCCC12CCN(C)CC2 ZINC000374324430 387443673 /nfs/dbraw/zinc/44/36/73/387443673.db2.gz MCBQEGPNECPUFW-UHFFFAOYSA-N 1 3 242.432 2.300 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466831 387389781 /nfs/dbraw/zinc/38/97/81/387389781.db2.gz PTCAOPJZMLWNHQ-XQQFMLRXSA-N 1 3 242.407 2.297 20 0 BEADHO CCN(CC)CCC[N@H+](CC)C[C@H](C)OC ZINC000361570471 387495699 /nfs/dbraw/zinc/49/56/99/387495699.db2.gz WOIJZZLLVLCDOQ-ZDUSSCGKSA-N 1 3 230.396 2.075 20 0 BEADHO CCN(CC)CCC[N@@H+](CC)C[C@H](C)OC ZINC000361570471 387495705 /nfs/dbraw/zinc/49/57/05/387495705.db2.gz WOIJZZLLVLCDOQ-ZDUSSCGKSA-N 1 3 230.396 2.075 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000643475299 387509059 /nfs/dbraw/zinc/50/90/59/387509059.db2.gz CDZLOZZTSGAYSM-RQJABVFESA-N 1 3 240.391 2.051 20 0 BEADHO CO[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000361748985 387528404 /nfs/dbraw/zinc/52/84/04/387528404.db2.gz CRUKYFZISLRMCM-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000361748985 387528407 /nfs/dbraw/zinc/52/84/07/387528407.db2.gz CRUKYFZISLRMCM-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@@H]1NCC[C@H]1CCC[N@H+]1C ZINC000361748985 387528408 /nfs/dbraw/zinc/52/84/08/387528408.db2.gz CRUKYFZISLRMCM-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1cc(C)c(CN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000397026981 387533128 /nfs/dbraw/zinc/53/31/28/387533128.db2.gz OEZDZZFVFZPWOG-ZFWWWQNUSA-N 1 3 247.386 2.306 20 0 BEADHO CO[C@H](C)[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000355069923 387474692 /nfs/dbraw/zinc/47/46/92/387474692.db2.gz SIWBFYJHEQPLFR-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCCN[C@@H]2C)cc1 ZINC000396701558 387486622 /nfs/dbraw/zinc/48/66/22/387486622.db2.gz NFJZOLFJNSGMNI-IUODEOHRSA-N 1 3 232.371 2.479 20 0 BEADHO CCN(CCC[NH+]1CCCCC1)C[C@H](C)OC ZINC000361559971 387489062 /nfs/dbraw/zinc/48/90/62/387489062.db2.gz YTXDRKRALNRIFV-AWEZNQCLSA-N 1 3 242.407 2.219 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551350 387599637 /nfs/dbraw/zinc/59/96/37/387599637.db2.gz DKJLINGCUANIPC-MNOVXSKESA-N 1 3 218.344 2.389 20 0 BEADHO C[C@@H](CC[NH3+])NCc1cccc(C2CC2)c1 ZINC000422552352 387599696 /nfs/dbraw/zinc/59/96/96/387599696.db2.gz GXBBAXOKJPFHAJ-NSHDSACASA-N 1 3 218.344 2.391 20 0 BEADHO C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CNC1 ZINC000422703571 387617444 /nfs/dbraw/zinc/61/74/44/387617444.db2.gz NJGFLXOERIIELJ-XZUYRWCXSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000422702866 387617672 /nfs/dbraw/zinc/61/76/72/387617672.db2.gz GDYOIUUUYSWLHQ-DOMZBBRYSA-N 1 3 232.371 2.205 20 0 BEADHO C[C@@H](N[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422702785 387618890 /nfs/dbraw/zinc/61/88/90/387618890.db2.gz LPLFJCSAWJOUJS-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000422702785 387618895 /nfs/dbraw/zinc/61/88/95/387618895.db2.gz LPLFJCSAWJOUJS-LPWJVIDDSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1ccsc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422709538 387622301 /nfs/dbraw/zinc/62/23/01/387622301.db2.gz ZJARYFMHUIMOPB-UWVGGRQHSA-N 1 3 212.362 2.272 20 0 BEADHO CC[C@H](Cc1cccs1)NC[C@H]([NH3+])C1CC1 ZINC000643516418 387623692 /nfs/dbraw/zinc/62/36/92/387623692.db2.gz RNBGFFNRNHXVOY-YPMHNXCESA-N 1 3 238.400 2.396 20 0 BEADHO Cc1ccsc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422709539 387623936 /nfs/dbraw/zinc/62/39/36/387623936.db2.gz ZJARYFMHUIMOPB-VHSXEESVSA-N 1 3 212.362 2.272 20 0 BEADHO [NH3+][C@H](CN[C@H]1CCCc2ccccc2C1)C1CC1 ZINC000643516689 387629908 /nfs/dbraw/zinc/62/99/08/387629908.db2.gz JWHRNYZQAIAEFY-JKSUJKDBSA-N 1 3 244.382 2.261 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C1CCCC1 ZINC000422727678 387635886 /nfs/dbraw/zinc/63/58/86/387635886.db2.gz DAMSHUBFJIZOHL-SNVBAGLBSA-N 1 3 233.359 2.442 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C1CNC1 ZINC000422730876 387639281 /nfs/dbraw/zinc/63/92/81/387639281.db2.gz MPHPTBIKIKUNBP-QWHCGFSZSA-N 1 3 232.371 2.205 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000422732917 387640465 /nfs/dbraw/zinc/64/04/65/387640465.db2.gz PVGRUUXSJNIRRH-CHWSQXEVSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1ccccc1 ZINC000422732917 387640468 /nfs/dbraw/zinc/64/04/68/387640468.db2.gz PVGRUUXSJNIRRH-CHWSQXEVSA-N 1 3 220.360 2.335 20 0 BEADHO COCCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166395611 387641726 /nfs/dbraw/zinc/64/17/26/387641726.db2.gz CAOAORRTKFXVRY-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166395611 387641731 /nfs/dbraw/zinc/64/17/31/387641731.db2.gz CAOAORRTKFXVRY-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000166395611 387641739 /nfs/dbraw/zinc/64/17/39/387641739.db2.gz CAOAORRTKFXVRY-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1CNC1 ZINC000422737341 387646355 /nfs/dbraw/zinc/64/63/55/387646355.db2.gz XJVBIDQZJJVKAO-UZWSLXQKSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000422741592 387647949 /nfs/dbraw/zinc/64/79/49/387647949.db2.gz DWPGQKBOWWKJJZ-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccccc1 ZINC000422741592 387647953 /nfs/dbraw/zinc/64/79/53/387647953.db2.gz DWPGQKBOWWKJJZ-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422741252 387649103 /nfs/dbraw/zinc/64/91/03/387649103.db2.gz DBHYFYBYHBNFAW-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@H](NC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422747019 387651333 /nfs/dbraw/zinc/65/13/33/387651333.db2.gz OXBYUVBWERDYMU-STQMWFEESA-N 1 3 210.365 2.439 20 0 BEADHO CC[C@H]([NH2+]C1CCCCC1)[C@@H]1CCCN1 ZINC000422747019 387651338 /nfs/dbraw/zinc/65/13/38/387651338.db2.gz OXBYUVBWERDYMU-STQMWFEESA-N 1 3 210.365 2.439 20 0 BEADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccccc1 ZINC000422748879 387654162 /nfs/dbraw/zinc/65/41/62/387654162.db2.gz WOEOOLOKOBTHLC-LSDHHAIUSA-N 1 3 232.371 2.479 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000422756391 387661345 /nfs/dbraw/zinc/66/13/45/387661345.db2.gz CICKDKIUDCTSDV-STQMWFEESA-N 1 3 236.384 2.248 20 0 BEADHO Cc1ccc(C[C@@H](C)N[C@H](C)C2C[NH2+]C2)s1 ZINC000422757309 387661732 /nfs/dbraw/zinc/66/17/32/387661732.db2.gz HUZMYKBLTROEOF-MWLCHTKSSA-N 1 3 238.400 2.185 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CNC2)s1 ZINC000422757309 387661733 /nfs/dbraw/zinc/66/17/33/387661733.db2.gz HUZMYKBLTROEOF-MWLCHTKSSA-N 1 3 238.400 2.185 20 0 BEADHO CCc1ccc(CCN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430953866 387662729 /nfs/dbraw/zinc/66/27/29/387662729.db2.gz DBSYYHOIQGLIPA-XJKSGUPXSA-N 1 3 246.398 2.461 20 0 BEADHO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C1CNC1 ZINC000422760531 387663768 /nfs/dbraw/zinc/66/37/68/387663768.db2.gz QFYSLEAESZJTTH-GHMZBOCLSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422770622 387670022 /nfs/dbraw/zinc/67/00/22/387670022.db2.gz UYIRLGUQRYHJGZ-NEPJUHHUSA-N 1 3 206.333 2.210 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCOC1CCCCCC1 ZINC000422770002 387671211 /nfs/dbraw/zinc/67/12/11/387671211.db2.gz WCQSOUVFDBECCR-OLZOCXBDSA-N 1 3 242.407 2.441 20 0 BEADHO COc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422774397 387673311 /nfs/dbraw/zinc/67/33/11/387673311.db2.gz WVFFQHAHDVPESI-GJZGRUSLSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2cccnc21 ZINC000422781215 387681508 /nfs/dbraw/zinc/68/15/08/387681508.db2.gz LDUSBSMSUQJFKN-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO CC[C@H](F)C[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000440770707 387690844 /nfs/dbraw/zinc/69/08/44/387690844.db2.gz KSZSYUCCHGMPGZ-FRRDWIJNSA-N 1 3 230.371 2.397 20 0 BEADHO CC[C@H](F)C[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000440770707 387690846 /nfs/dbraw/zinc/69/08/46/387690846.db2.gz KSZSYUCCHGMPGZ-FRRDWIJNSA-N 1 3 230.371 2.397 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCOc1ccccc1 ZINC000422791265 387691850 /nfs/dbraw/zinc/69/18/50/387691850.db2.gz QBENKJURDASRPA-STQMWFEESA-N 1 3 236.359 2.171 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000422791265 387691857 /nfs/dbraw/zinc/69/18/57/387691857.db2.gz QBENKJURDASRPA-STQMWFEESA-N 1 3 236.359 2.171 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422792509 387692670 /nfs/dbraw/zinc/69/26/70/387692670.db2.gz XCWLPRWYHOQTSU-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422790314 387693681 /nfs/dbraw/zinc/69/36/81/387693681.db2.gz XOWPPFYMDQJVOE-KBPBESRZSA-N 1 3 242.407 2.027 20 0 BEADHO Cc1ccc(OCCCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422860459 387744865 /nfs/dbraw/zinc/74/48/65/387744865.db2.gz MKBRHGMIVQSKFR-CABCVRRESA-N 1 3 248.370 2.233 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000643525499 387747699 /nfs/dbraw/zinc/74/76/99/387747699.db2.gz YXOWWLGUEKBPKA-GRYCIOLGSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H](Cc1cccs1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000643525499 387747709 /nfs/dbraw/zinc/74/77/09/387747709.db2.gz YXOWWLGUEKBPKA-GRYCIOLGSA-N 1 3 238.400 2.409 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCC[C@H]2N)s1 ZINC000422870624 387748718 /nfs/dbraw/zinc/74/87/18/387748718.db2.gz ZCRMOGZJYNSZNN-NEPJUHHUSA-N 1 3 224.373 2.280 20 0 BEADHO CC[C@H]([NH2+]C[C@@H](C)N)c1ccc(C)cc1 ZINC000643526255 387749366 /nfs/dbraw/zinc/74/93/66/387749366.db2.gz WLSUMWMMBZDOSE-YPMHNXCESA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CC12CC2)CN1CCCC1 ZINC000527852498 387754064 /nfs/dbraw/zinc/75/40/64/387754064.db2.gz RHGMGTVKSALWHE-MCIONIFRSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC12CC2)CN1CCCC1 ZINC000527852502 387754846 /nfs/dbraw/zinc/75/48/46/387754846.db2.gz RHGMGTVKSALWHE-RDBSUJKOSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)C1CNC1 ZINC000422796287 387699410 /nfs/dbraw/zinc/69/94/10/387699410.db2.gz YCHCPNNDFGWCME-ZJQBRPOHSA-N 1 3 222.376 2.153 20 0 BEADHO COCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000045017652 387700851 /nfs/dbraw/zinc/70/08/51/387700851.db2.gz XFELAOGTECLDIA-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO COCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000045017650 387701083 /nfs/dbraw/zinc/70/10/83/387701083.db2.gz XFELAOGTECLDIA-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)C1CNC1 ZINC000422802591 387702827 /nfs/dbraw/zinc/70/28/27/387702827.db2.gz HNVVPNJICZFQMU-TZMCWYRMSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H](NC[C@H]1CCCc2ccccc21)C1C[NH2+]C1 ZINC000422802591 387702834 /nfs/dbraw/zinc/70/28/34/387702834.db2.gz HNVVPNJICZFQMU-TZMCWYRMSA-N 1 3 244.382 2.304 20 0 BEADHO C[C@@H]([NH2+]CCC1CCCCC1)C1CNC1 ZINC000422813950 387711321 /nfs/dbraw/zinc/71/13/21/387711321.db2.gz ZHXWNFVGQRITEM-LLVKDONJSA-N 1 3 210.365 2.154 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)N ZINC000422812440 387712216 /nfs/dbraw/zinc/71/22/16/387712216.db2.gz WGEUAHVWEAPNGA-OUAUKWLOSA-N 1 3 218.410 2.234 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cc(F)ccc1F ZINC000422819857 387717659 /nfs/dbraw/zinc/71/76/59/387717659.db2.gz JCSJIGZPZIAJMX-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000422819857 387717664 /nfs/dbraw/zinc/71/76/64/387717664.db2.gz JCSJIGZPZIAJMX-ZJUUUORDSA-N 1 3 242.313 2.223 20 0 BEADHO C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2CCCNCC2)C1 ZINC000643522878 387726049 /nfs/dbraw/zinc/72/60/49/387726049.db2.gz UFIVGUJALDAIKB-MCIONIFRSA-N 1 3 222.376 2.297 20 0 BEADHO COCc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422879378 387755602 /nfs/dbraw/zinc/75/56/02/387755602.db2.gz KHUITWSUTCHGBV-NWDGAFQWSA-N 1 3 236.359 2.048 20 0 BEADHO Cc1cc(F)ccc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422849227 387735525 /nfs/dbraw/zinc/73/55/25/387735525.db2.gz BPUVUJXOHIQSLQ-KGLIPLIRSA-N 1 3 236.334 2.146 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356877077 387738976 /nfs/dbraw/zinc/73/89/76/387738976.db2.gz RVNCSHIRFXTCBH-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1(C)C ZINC000422856062 387741431 /nfs/dbraw/zinc/74/14/31/387741431.db2.gz WMSLSBMXFVJWDQ-QNWHQSFQSA-N 1 3 240.391 2.050 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCOc2ccccc21 ZINC000422889577 387762818 /nfs/dbraw/zinc/76/28/18/387762818.db2.gz PWJVVRKHZBJQGA-YUTCNCBUSA-N 1 3 246.354 2.022 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000129201044 387763205 /nfs/dbraw/zinc/76/32/05/387763205.db2.gz TWTNUQJEWRGBNN-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000129201044 387763210 /nfs/dbraw/zinc/76/32/10/387763210.db2.gz TWTNUQJEWRGBNN-MGPQQGTHSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000129200601 387764207 /nfs/dbraw/zinc/76/42/07/387764207.db2.gz TWTNUQJEWRGBNN-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO CO[C@H](C)[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000129200601 387764209 /nfs/dbraw/zinc/76/42/09/387764209.db2.gz TWTNUQJEWRGBNN-HZSPNIEDSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC000422895402 387765091 /nfs/dbraw/zinc/76/50/91/387765091.db2.gz VWMAVIHSRKZVFO-DCBWTQNWSA-N 1 3 224.392 2.399 20 0 BEADHO CSc1ccccc1C[C@@H](C)NC[C@@H](C)[NH3+] ZINC000643527622 387767208 /nfs/dbraw/zinc/76/72/08/387767208.db2.gz PIDXUNXXONOWOX-GHMZBOCLSA-N 1 3 238.400 2.276 20 0 BEADHO C[C@H](N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000643528345 387768522 /nfs/dbraw/zinc/76/85/22/387768522.db2.gz HIIKFTHUNBIMKR-QPUJVOFHSA-N 1 3 224.735 2.264 20 0 BEADHO CSc1ccccc1C[C@H](C)NC[C@H](C)[NH3+] ZINC000643527624 387768544 /nfs/dbraw/zinc/76/85/44/387768544.db2.gz PIDXUNXXONOWOX-QWRGUYRKSA-N 1 3 238.400 2.276 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)Cc1ccccc1)C1CNC1 ZINC000422910984 387768669 /nfs/dbraw/zinc/76/86/69/387768669.db2.gz JSBRTOFICGOXQO-ZDUSSCGKSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@H](NCC(C)(C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422910984 387768671 /nfs/dbraw/zinc/76/86/71/387768671.db2.gz JSBRTOFICGOXQO-ZDUSSCGKSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@H]([NH3+])CN[C@@H](C)CCc1cccc(F)c1 ZINC000643528557 387770390 /nfs/dbraw/zinc/77/03/90/387770390.db2.gz LJPLUEOYCJDFLM-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H]([NH3+])CN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000643528153 387774209 /nfs/dbraw/zinc/77/42/09/387774209.db2.gz DQOILNJGEQNNLQ-GDLCADMTSA-N 1 3 236.334 2.399 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643528166 387774935 /nfs/dbraw/zinc/77/49/35/387774935.db2.gz DUFHKGIIYBRKKM-RISCZKNCSA-N 1 3 218.344 2.465 20 0 BEADHO CCC[C@@H](Cc1ccccc1)NC[C@@H](C)[NH3+] ZINC000643529321 387776450 /nfs/dbraw/zinc/77/64/50/387776450.db2.gz YNLWHDNZFRAJMI-OCCSQVGLSA-N 1 3 220.360 2.335 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)Cc1coc2ccccc12 ZINC000643529894 387776470 /nfs/dbraw/zinc/77/64/70/387776470.db2.gz UNBWQVUENFEBQN-MNOVXSKESA-N 1 3 232.327 2.301 20 0 BEADHO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)N ZINC000422922008 387777250 /nfs/dbraw/zinc/77/72/50/387777250.db2.gz RPDWTFKZEJJSEC-IGQOVBAYSA-N 1 3 242.407 2.153 20 0 BEADHO Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422944360 387785814 /nfs/dbraw/zinc/78/58/14/387785814.db2.gz MBRHIDDFTPBZSP-LSDHHAIUSA-N 1 3 248.370 2.152 20 0 BEADHO Cc1ccccc1OCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422944478 387786411 /nfs/dbraw/zinc/78/64/11/387786411.db2.gz MHXPAWOGHSUCNM-OLZOCXBDSA-N 1 3 236.359 2.089 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@H]2CCCCO2)CC1 ZINC000049855612 387787429 /nfs/dbraw/zinc/78/74/29/387787429.db2.gz UCDIPXJALMTJQU-CQSZACIVSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Oc1ccccc1 ZINC000422980907 387792036 /nfs/dbraw/zinc/79/20/36/387792036.db2.gz MRKACFCMAKKCQA-RWMBFGLXSA-N 1 3 236.359 2.169 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC/C=C/c1ccccc1 ZINC000422980453 387792280 /nfs/dbraw/zinc/79/22/80/387792280.db2.gz PSGKUIVSOSAOPB-BNDLJXMOSA-N 1 3 218.344 2.415 20 0 BEADHO Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000422983690 387792986 /nfs/dbraw/zinc/79/29/86/387792986.db2.gz UOAOYCHECGCDAX-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422983690 387792989 /nfs/dbraw/zinc/79/29/89/387792989.db2.gz UOAOYCHECGCDAX-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000422982960 387794004 /nfs/dbraw/zinc/79/40/04/387794004.db2.gz YHIQSLKAFJNKEN-SRVKXCTJSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccc(O)cc1 ZINC000422982960 387794008 /nfs/dbraw/zinc/79/40/08/387794008.db2.gz YHIQSLKAFJNKEN-SRVKXCTJSA-N 1 3 236.359 2.039 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCCC(F)(F)C1 ZINC000422986617 387796756 /nfs/dbraw/zinc/79/67/56/387796756.db2.gz CWTQPLXCCOXENH-OPRDCNLKSA-N 1 3 218.291 2.034 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000422988956 387798268 /nfs/dbraw/zinc/79/82/68/387798268.db2.gz JZXMIVSCSSUJLC-DGXTUMSLSA-N 1 3 242.366 2.042 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCC1(Cc2ccccc2)CC1 ZINC000422991280 387801199 /nfs/dbraw/zinc/80/11/99/387801199.db2.gz ASQGUNJLCSAEBL-HUUCEWRRSA-N 1 3 244.382 2.479 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000422995789 387801576 /nfs/dbraw/zinc/80/15/76/387801576.db2.gz ZEUSMBDFXHKKBQ-GARJFASQSA-N 1 3 232.318 2.281 20 0 BEADHO COc1cc(C)cc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423001381 387805724 /nfs/dbraw/zinc/80/57/24/387805724.db2.gz IBGOSYUQRCLNAX-DZGCQCFKSA-N 1 3 248.370 2.221 20 0 BEADHO COc1cc(C)cc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423001384 387806042 /nfs/dbraw/zinc/80/60/42/387806042.db2.gz IBGOSYUQRCLNAX-ZFWWWQNUSA-N 1 3 248.370 2.221 20 0 BEADHO C[C@@H](NC[C@@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422954776 387809724 /nfs/dbraw/zinc/80/97/24/387809724.db2.gz JQHZTZLVKPOQFY-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc(F)c1F ZINC000422961015 387811287 /nfs/dbraw/zinc/81/12/87/387811287.db2.gz YDRJDAAVLFPSGC-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc(F)c1F ZINC000422961015 387811288 /nfs/dbraw/zinc/81/12/88/387811288.db2.gz YDRJDAAVLFPSGC-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](C)N)c1cccc(F)c1 ZINC000643526589 387756920 /nfs/dbraw/zinc/75/69/20/387756920.db2.gz BSYZADJGBYUECZ-BXKDBHETSA-N 1 3 210.296 2.214 20 0 BEADHO COc1cccc2c1CC[C@@H]2N[C@@H](C)C[C@H](C)[NH3+] ZINC000422888909 387759271 /nfs/dbraw/zinc/75/92/71/387759271.db2.gz OGVQRTPEQZTOCX-MJVIPROJSA-N 1 3 248.370 2.398 20 0 BEADHO Cc1nc(C)c(CCN[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422885574 387759644 /nfs/dbraw/zinc/75/96/44/387759644.db2.gz HAWHDSGJYLVQTN-BDAKNGLRSA-N 1 3 241.404 2.018 20 0 BEADHO Cc1nc(C)c(CC[NH2+][C@@H](C)C[C@@H](C)N)s1 ZINC000422885574 387759648 /nfs/dbraw/zinc/75/96/48/387759648.db2.gz HAWHDSGJYLVQTN-BDAKNGLRSA-N 1 3 241.404 2.018 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000422888756 387760712 /nfs/dbraw/zinc/76/07/12/387760712.db2.gz NTMLAPCPDYEJTE-XQQFMLRXSA-N 1 3 248.370 2.268 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCOc2ccccc21 ZINC000422888756 387760715 /nfs/dbraw/zinc/76/07/15/387760715.db2.gz NTMLAPCPDYEJTE-XQQFMLRXSA-N 1 3 248.370 2.268 20 0 BEADHO C[C@@H](NC[C@@H]1CC=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000422972944 387821625 /nfs/dbraw/zinc/82/16/25/387821625.db2.gz NDNOJVJOBZDDPZ-MCIONIFRSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@@H]([NH2+]CCCCc1ccccc1)C1CNC1 ZINC000643458231 387822490 /nfs/dbraw/zinc/82/24/90/387822490.db2.gz CBBFINYKQZEZDB-CYBMUJFWSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432796994 387823923 /nfs/dbraw/zinc/82/39/23/387823923.db2.gz JMJIMIQSQHVICG-JHJVBQTASA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000432796994 387823928 /nfs/dbraw/zinc/82/39/28/387823928.db2.gz JMJIMIQSQHVICG-JHJVBQTASA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]([NH2+]CC1CCC(C)CC1)C1CNC1 ZINC000422974680 387824259 /nfs/dbraw/zinc/82/42/59/387824259.db2.gz RQJQUJJKLVEXQC-MOENNCHZSA-N 1 3 210.365 2.010 20 0 BEADHO CCCC[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000442722568 387829062 /nfs/dbraw/zinc/82/90/62/387829062.db2.gz XQEBQPKIZJUNTH-MFKMUULPSA-N 1 3 249.358 2.162 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000423007812 387831304 /nfs/dbraw/zinc/83/13/04/387831304.db2.gz RTEQIWBTLPITRT-SGMGOOAPSA-N 1 3 242.407 2.033 20 0 BEADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000442732058 387831513 /nfs/dbraw/zinc/83/15/13/387831513.db2.gz USDHWQPKHDGZCK-BREBYQMCSA-N 1 3 249.358 2.018 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000423011495 387833053 /nfs/dbraw/zinc/83/30/53/387833053.db2.gz IXEBCGRZMQVUEW-QPPOZKHWSA-N 1 3 222.376 2.284 20 0 BEADHO CC(C)CSCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423009561 387833597 /nfs/dbraw/zinc/83/35/97/387833597.db2.gz DJALZZCDZUMZMM-CHWSQXEVSA-N 1 3 244.448 2.353 20 0 BEADHO C[C@H](Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423010131 387833967 /nfs/dbraw/zinc/83/39/67/387833967.db2.gz XDGYIZOOUBFTJT-BKQLOGFTSA-N 1 3 234.343 2.083 20 0 BEADHO CC(C)CSCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423012170 387835790 /nfs/dbraw/zinc/83/57/90/387835790.db2.gz KEPWUQMNBSBKCT-QWRGUYRKSA-N 1 3 218.410 2.091 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](c1cccnc1)C1CC1 ZINC000423011998 387835836 /nfs/dbraw/zinc/83/58/36/387835836.db2.gz JXHZEORHWGZIQK-MISXGVKJSA-N 1 3 233.359 2.248 20 0 BEADHO CC(C)CSCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013128 387835876 /nfs/dbraw/zinc/83/58/76/387835876.db2.gz MDJQOVQFYNUZFG-FUNVUKJBSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000423015259 387838310 /nfs/dbraw/zinc/83/83/10/387838310.db2.gz QOQQNVUDZJXWSN-RKDXNWHRSA-N 1 3 220.307 2.280 20 0 BEADHO Cc1cnccc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423016238 387838657 /nfs/dbraw/zinc/83/86/57/387838657.db2.gz SKRYVDXFQVOXOG-LSDHHAIUSA-N 1 3 247.386 2.182 20 0 BEADHO CS[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)C(C)(C)C ZINC000423027834 387843172 /nfs/dbraw/zinc/84/31/72/387843172.db2.gz FDHIDYMNKJBXRC-GRYCIOLGSA-N 1 3 244.448 2.352 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000423029074 387845814 /nfs/dbraw/zinc/84/58/14/387845814.db2.gz HPCLHZDZBVWAPZ-JHJVBQTASA-N 1 3 242.432 2.250 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000423029444 387846913 /nfs/dbraw/zinc/84/69/13/387846913.db2.gz AHTMFABTBLGJMZ-BFHYXJOUSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@@H]1CCCCO1 ZINC000423035475 387850651 /nfs/dbraw/zinc/85/06/51/387850651.db2.gz JOCURWWEOUFBHA-XQQFMLRXSA-N 1 3 228.380 2.051 20 0 BEADHO CS[C@H](C[NH2+][C@H](C)C[C@@H](C)N)C(C)(C)C ZINC000423037037 387850695 /nfs/dbraw/zinc/85/06/95/387850695.db2.gz VIQTWEWDSXPMMS-GMTAPVOTSA-N 1 3 232.437 2.480 20 0 BEADHO CS[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000423037037 387850697 /nfs/dbraw/zinc/85/06/97/387850697.db2.gz VIQTWEWDSXPMMS-GMTAPVOTSA-N 1 3 232.437 2.480 20 0 BEADHO CS[C@H](C[NH2+][C@@H](C)C[C@@H](C)N)C(C)(C)C ZINC000423037040 387850911 /nfs/dbraw/zinc/85/09/11/387850911.db2.gz VIQTWEWDSXPMMS-OUAUKWLOSA-N 1 3 232.437 2.480 20 0 BEADHO CS[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000423037040 387850913 /nfs/dbraw/zinc/85/09/13/387850913.db2.gz VIQTWEWDSXPMMS-OUAUKWLOSA-N 1 3 232.437 2.480 20 0 BEADHO Cc1csc([C@H](C)CN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423039552 387852565 /nfs/dbraw/zinc/85/25/65/387852565.db2.gz QUVXAFZXXVNLNE-OPRDCNLKSA-N 1 3 241.404 2.270 20 0 BEADHO Cc1csc([C@H](C)C[NH2+][C@H](C)C[C@@H](C)N)n1 ZINC000423039552 387852569 /nfs/dbraw/zinc/85/25/69/387852569.db2.gz QUVXAFZXXVNLNE-OPRDCNLKSA-N 1 3 241.404 2.270 20 0 BEADHO Cc1csc([C@H](C)CN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423039553 387854025 /nfs/dbraw/zinc/85/40/25/387854025.db2.gz QUVXAFZXXVNLNE-UTLUCORTSA-N 1 3 241.404 2.270 20 0 BEADHO Cc1csc([C@H](C)C[NH2+][C@@H](C)C[C@H](C)N)n1 ZINC000423039553 387854026 /nfs/dbraw/zinc/85/40/26/387854026.db2.gz QUVXAFZXXVNLNE-UTLUCORTSA-N 1 3 241.404 2.270 20 0 BEADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)N)CCO1 ZINC000423046267 387857599 /nfs/dbraw/zinc/85/75/99/387857599.db2.gz TUQKOTXIRCUDFT-AAVRWANBSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cncc(F)c1 ZINC000643534755 387860607 /nfs/dbraw/zinc/86/06/07/387860607.db2.gz CHOPXEQYJQEBHT-GWCFXTLKSA-N 1 3 249.333 2.013 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C1CNC1 ZINC000423059926 387864184 /nfs/dbraw/zinc/86/41/84/387864184.db2.gz NFDZTTAOEFXORV-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000423060605 387864377 /nfs/dbraw/zinc/86/43/77/387864377.db2.gz IOQNHHSXIVDSAY-XQLPTFJDSA-N 1 3 246.354 2.024 20 0 BEADHO CC[C@H](N[C@H]1CC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000423062023 387867700 /nfs/dbraw/zinc/86/77/00/387867700.db2.gz MCRDBOLXOMYKBQ-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000423062023 387867704 /nfs/dbraw/zinc/86/77/04/387867704.db2.gz MCRDBOLXOMYKBQ-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)C1CC([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423067847 387869807 /nfs/dbraw/zinc/86/98/07/387869807.db2.gz AHQREBRYQCPVSP-XVSSEFHLSA-N 1 3 210.365 2.138 20 0 BEADHO CCC(O)(CC)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423065801 387869863 /nfs/dbraw/zinc/86/98/63/387869863.db2.gz CMMCAQKADDCQRT-OLZOCXBDSA-N 1 3 242.407 2.177 20 0 BEADHO CCC(O)(CC)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423065800 387869998 /nfs/dbraw/zinc/86/99/98/387869998.db2.gz CMMCAQKADDCQRT-CHWSQXEVSA-N 1 3 242.407 2.177 20 0 BEADHO C[C@@H](NC1CC(c2ccccc2)C1)C1C[NH2+]C1 ZINC000422967319 387816595 /nfs/dbraw/zinc/81/65/95/387816595.db2.gz OXHLIPJOIHVFCD-NUYPLMSZSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1CNC1 ZINC000422967319 387816597 /nfs/dbraw/zinc/81/65/97/387816597.db2.gz OXHLIPJOIHVFCD-NUYPLMSZSA-N 1 3 230.355 2.130 20 0 BEADHO C[C@@H](NCC1(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000423002727 387819173 /nfs/dbraw/zinc/81/91/73/387819173.db2.gz ZJSPGKPOIDWHNN-CYBMUJFWSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@@H]([NH2+]CC1(Cc2ccccc2)CC1)C1CNC1 ZINC000423002727 387819178 /nfs/dbraw/zinc/81/91/78/387819178.db2.gz ZJSPGKPOIDWHNN-CYBMUJFWSA-N 1 3 244.382 2.207 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc2[nH]ccc21 ZINC000423105163 387890783 /nfs/dbraw/zinc/89/07/83/387890783.db2.gz CAKKGNDGJDSLCI-RYUDHWBXSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc2[nH]ccc21 ZINC000423105163 387890786 /nfs/dbraw/zinc/89/07/86/387890786.db2.gz CAKKGNDGJDSLCI-RYUDHWBXSA-N 1 3 245.370 2.426 20 0 BEADHO Cc1cc([C@@H](C)N[C@@H](C)CCCC[NH3+])no1 ZINC000423105765 387891108 /nfs/dbraw/zinc/89/11/08/387891108.db2.gz CKEOWQAIBZONSW-GXSJLCMTSA-N 1 3 225.336 2.151 20 0 BEADHO CC[NH+](CC)CCCSCCN(C)C ZINC000194551625 387892327 /nfs/dbraw/zinc/89/23/27/387892327.db2.gz TVKSOKNITVFINO-UHFFFAOYSA-N 1 3 218.410 2.013 20 0 BEADHO CC1(C)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423113486 387896985 /nfs/dbraw/zinc/89/69/85/387896985.db2.gz UISSOWCPIUNGAP-MBYGNEARSA-N 1 3 208.349 2.048 20 0 BEADHO CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000423073476 387874991 /nfs/dbraw/zinc/87/49/91/387874991.db2.gz ITFBOAINROSKPA-HUUCEWRRSA-N 1 3 247.386 2.478 20 0 BEADHO CC(C)C1CC([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000423077638 387875799 /nfs/dbraw/zinc/87/57/99/387875799.db2.gz MLQRICWFRCOTRN-MRFVTOPCSA-N 1 3 224.392 2.399 20 0 BEADHO FC(F)[C@H]1C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423116078 387898418 /nfs/dbraw/zinc/89/84/18/387898418.db2.gz ZKTSEQGCBFSHDM-NGDQXYMTSA-N 1 3 244.329 2.150 20 0 BEADHO C[C@H]([NH2+]CC1(C)CCC(C)CC1)C1CNC1 ZINC000423082571 387878162 /nfs/dbraw/zinc/87/81/62/387878162.db2.gz DLTVAHQCUCZIBV-LXVYMNJGSA-N 1 3 224.392 2.400 20 0 BEADHO CC1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423082080 387878663 /nfs/dbraw/zinc/87/86/63/387878663.db2.gz CLCWDOFVXZBITN-FOSCPWQOSA-N 1 3 208.349 2.049 20 0 BEADHO CC[C@H](Cc1cccs1)N[C@@H](C)[C@@H](C)[NH3+] ZINC000643539945 387880929 /nfs/dbraw/zinc/88/09/29/387880929.db2.gz YEJBDATZTGDBQM-OUAUKWLOSA-N 1 3 226.389 2.395 20 0 BEADHO CC[C@H](Cc1cccs1)N[C@@H](C)[C@H](C)[NH3+] ZINC000643539942 387881977 /nfs/dbraw/zinc/88/19/77/387881977.db2.gz YEJBDATZTGDBQM-GARJFASQSA-N 1 3 226.389 2.395 20 0 BEADHO C[C@H](N[C@H]1C[C@H](c2cccc(F)c2)C1)C1C[NH2+]C1 ZINC000423092382 387883008 /nfs/dbraw/zinc/88/30/08/387883008.db2.gz BRTRFWNZECHZAJ-WBIUFABUSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](c2cccc(F)c2)C1)C1CNC1 ZINC000423092382 387883012 /nfs/dbraw/zinc/88/30/12/387883012.db2.gz BRTRFWNZECHZAJ-WBIUFABUSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCCNC1 ZINC000423092753 387883209 /nfs/dbraw/zinc/88/32/09/387883209.db2.gz DHAXNBNCIJTJHK-IGHBBLSQSA-N 1 3 222.376 2.153 20 0 BEADHO COC1CCC(C)(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000423089826 387883620 /nfs/dbraw/zinc/88/36/20/387883620.db2.gz WDTFONJYSSFSDF-IWMBGFJWSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)SCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423099462 387887108 /nfs/dbraw/zinc/88/71/08/387887108.db2.gz AMRZJMMNSQZDGX-FOSCPWQOSA-N 1 3 228.405 2.001 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCC1(C(F)(F)F)CC1 ZINC000423104184 387888643 /nfs/dbraw/zinc/88/86/43/387888643.db2.gz GUVDPRPIQRCVPG-RKDXNWHRSA-N 1 3 236.281 2.046 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423104184 387888648 /nfs/dbraw/zinc/88/86/48/387888648.db2.gz GUVDPRPIQRCVPG-RKDXNWHRSA-N 1 3 236.281 2.046 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(c2ccccn2)CCC1 ZINC000423101871 387889220 /nfs/dbraw/zinc/88/92/20/387889220.db2.gz DJWXHIXMYFIWIZ-CHWSQXEVSA-N 1 3 247.386 2.219 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000423101871 387889225 /nfs/dbraw/zinc/88/92/25/387889225.db2.gz DJWXHIXMYFIWIZ-CHWSQXEVSA-N 1 3 247.386 2.219 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCC1(c2ccccn2)CCC1 ZINC000423101872 387889266 /nfs/dbraw/zinc/88/92/66/387889266.db2.gz DJWXHIXMYFIWIZ-OLZOCXBDSA-N 1 3 247.386 2.219 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000423101872 387889268 /nfs/dbraw/zinc/88/92/68/387889268.db2.gz DJWXHIXMYFIWIZ-OLZOCXBDSA-N 1 3 247.386 2.219 20 0 BEADHO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423141116 387918742 /nfs/dbraw/zinc/91/87/42/387918742.db2.gz OANSKVKGXCEOGC-MHWZDGSBSA-N 1 3 234.343 2.144 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CNC1 ZINC000423117801 387899466 /nfs/dbraw/zinc/89/94/66/387899466.db2.gz XHAXUVSYCJXESC-VHSXEESVSA-N 1 3 232.318 2.009 20 0 BEADHO CN(C)C1CC[NH+](CC2=CCCC2)CC1 ZINC000645775960 387900069 /nfs/dbraw/zinc/90/00/69/387900069.db2.gz NQHWRIGPOOSKRV-UHFFFAOYSA-N 1 3 208.349 2.123 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423121494 387900618 /nfs/dbraw/zinc/90/06/18/387900618.db2.gz INSHYGMRFVLSBC-QWHCGFSZSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000423119830 387901289 /nfs/dbraw/zinc/90/12/89/387901289.db2.gz FNWLSJUQBVKFSN-MSIFESELSA-N 1 3 224.270 2.043 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CC2CCC1CC2 ZINC000423124204 387902620 /nfs/dbraw/zinc/90/26/20/387902620.db2.gz GCZXDYQFCQDLGT-YJEBHAJESA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCOC1 ZINC000423124046 387903691 /nfs/dbraw/zinc/90/36/91/387903691.db2.gz LVQWYOFXJINCOT-MJBXVCDLSA-N 1 3 240.391 2.066 20 0 BEADHO C=Cc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000423125555 387904376 /nfs/dbraw/zinc/90/43/76/387904376.db2.gz ADXJHSFMMJABKE-XJKSGUPXSA-N 1 3 244.382 2.460 20 0 BEADHO CCCc1nc(C)c(CN[C@@H](C)CCC[NH3+])o1 ZINC000423130167 387906773 /nfs/dbraw/zinc/90/67/73/387906773.db2.gz MRBSXILEZQPGHD-JTQLQIEISA-N 1 3 239.363 2.153 20 0 BEADHO F[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423128850 387907689 /nfs/dbraw/zinc/90/76/89/387907689.db2.gz QPHLZRDGNNHDBT-XHJNMGKDSA-N 1 3 240.366 2.387 20 0 BEADHO C[C@H](F)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423131226 387909012 /nfs/dbraw/zinc/90/90/12/387909012.db2.gz HPGTUZIDSNVGTE-WUHRBBMRSA-N 1 3 228.355 2.245 20 0 BEADHO CC[C@H](NC[C@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000423131943 387909122 /nfs/dbraw/zinc/90/91/22/387909122.db2.gz UCNVGRSOGZHSNI-AGIUHOORSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@H](F)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423131223 387909586 /nfs/dbraw/zinc/90/95/86/387909586.db2.gz HPGTUZIDSNVGTE-LOWDOPEQSA-N 1 3 228.355 2.245 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CC(C(C)(C)C)C1 ZINC000423131756 387909877 /nfs/dbraw/zinc/90/98/77/387909877.db2.gz IKXRHERYUJERJL-IKWCTNDRSA-N 1 3 224.392 2.399 20 0 BEADHO C=Cc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423134693 387910881 /nfs/dbraw/zinc/91/08/81/387910881.db2.gz DXSFYMRHJIWMLC-LSDHHAIUSA-N 1 3 230.355 2.342 20 0 BEADHO C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)C1CNC1 ZINC000423133327 387912145 /nfs/dbraw/zinc/91/21/45/387912145.db2.gz QDKNXXMCPNFOFX-MLGOLLRUSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H](NC[C@H](c1ccccc1)C1CC1)C1C[NH2+]C1 ZINC000423133327 387912149 /nfs/dbraw/zinc/91/21/49/387912149.db2.gz QDKNXXMCPNFOFX-MLGOLLRUSA-N 1 3 244.382 2.378 20 0 BEADHO C[C@@H](N[C@H]1CC2CCC1CC2)[C@@H]1CCC[NH2+]1 ZINC000423138924 387915956 /nfs/dbraw/zinc/91/59/56/387915956.db2.gz YVEBUJKQOROWDE-JKZOPUQSSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)[C@@H]1CCCN1 ZINC000423138924 387915958 /nfs/dbraw/zinc/91/59/58/387915958.db2.gz YVEBUJKQOROWDE-JKZOPUQSSA-N 1 3 222.376 2.295 20 0 BEADHO CSCC1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC000423154101 387932198 /nfs/dbraw/zinc/93/21/98/387932198.db2.gz HDJAQFHQIRKZLU-XSRFYTQQSA-N 1 3 242.432 2.106 20 0 BEADHO CC[C@H](C)[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])OC ZINC000423156262 387934266 /nfs/dbraw/zinc/93/42/66/387934266.db2.gz KWBCDWNPBJRVOZ-CRWXNKLISA-N 1 3 242.407 2.297 20 0 BEADHO CC(F)(F)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423146072 387923114 /nfs/dbraw/zinc/92/31/14/387923114.db2.gz NUSUXNOZZGGRLI-ZACCUICWSA-N 1 3 232.318 2.294 20 0 BEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC(C)(F)F ZINC000423145041 387923408 /nfs/dbraw/zinc/92/34/08/387923408.db2.gz ITUGVDSJMWHURG-VHSXEESVSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC(C)(F)F ZINC000423145041 387923412 /nfs/dbraw/zinc/92/34/12/387923412.db2.gz ITUGVDSJMWHURG-VHSXEESVSA-N 1 3 220.307 2.009 20 0 BEADHO C1[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C1CCC1 ZINC000424199036 387926710 /nfs/dbraw/zinc/92/67/10/387926710.db2.gz PQURWEDGUAXOBI-LJISPDSOSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C1CCC1 ZINC000424199036 387926714 /nfs/dbraw/zinc/92/67/14/387926714.db2.gz PQURWEDGUAXOBI-LJISPDSOSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCNCC[C@H]1C ZINC000423167919 387952982 /nfs/dbraw/zinc/95/29/82/387952982.db2.gz GBKUKUXZZZBNOT-YIYPIFLZSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000423160760 387941996 /nfs/dbraw/zinc/94/19/96/387941996.db2.gz HULSAPNJPIRPMA-FVCCEPFGSA-N 1 3 210.365 2.281 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000245466131 387947738 /nfs/dbraw/zinc/94/77/38/387947738.db2.gz YVCXIVFZSRNSGZ-UONOGXRCSA-N 1 3 222.376 2.369 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000245466131 387947742 /nfs/dbraw/zinc/94/77/42/387947742.db2.gz YVCXIVFZSRNSGZ-UONOGXRCSA-N 1 3 222.376 2.369 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000423165964 387949903 /nfs/dbraw/zinc/94/99/03/387949903.db2.gz YOCXXKPHTVUIDI-RYUDHWBXSA-N 1 3 210.365 2.319 20 0 BEADHO CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000423171894 387958773 /nfs/dbraw/zinc/95/87/73/387958773.db2.gz QLCKASQGBRMOCL-FKGLVLAHSA-N 1 3 248.370 2.014 20 0 BEADHO COC1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000423172320 387958830 /nfs/dbraw/zinc/95/88/30/387958830.db2.gz SEXYCCGINHVOSS-BLYZHGLHSA-N 1 3 240.391 2.064 20 0 BEADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423171892 387959874 /nfs/dbraw/zinc/95/98/74/387959874.db2.gz QLCKASQGBRMOCL-BVIHXZOGSA-N 1 3 248.370 2.014 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1(C2CCC2)CCC1 ZINC000423171896 387960021 /nfs/dbraw/zinc/96/00/21/387960021.db2.gz QLJWRPNINDHQGD-GHMZBOCLSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@H](C[NH2+][C@@H](C)C1CNC1)CC(F)(F)F ZINC000423185569 387969102 /nfs/dbraw/zinc/96/91/02/387969102.db2.gz NYNWPLNYDRYOKM-IUCAKERBSA-N 1 3 238.297 2.163 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423185528 387970584 /nfs/dbraw/zinc/97/05/84/387970584.db2.gz NWHYQZPCQCSSIM-FVCCEPFGSA-N 1 3 234.343 2.243 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]1c1ccccc1F ZINC000423170642 387957319 /nfs/dbraw/zinc/95/73/19/387957319.db2.gz MMRKZWAVXDQKCS-KOXOONSLSA-N 1 3 236.334 2.397 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1c1ccccc1F ZINC000423170640 387957812 /nfs/dbraw/zinc/95/78/12/387957812.db2.gz MMRKZWAVXDQKCS-IUCKATPISA-N 1 3 236.334 2.397 20 0 BEADHO COc1ccc([C@@H](NCCC[NH3+])C(C)C)cc1 ZINC000423195436 387979481 /nfs/dbraw/zinc/97/94/81/387979481.db2.gz SNCCVWYZBITARD-AWEZNQCLSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCNCC2)C1 ZINC000423195528 387979776 /nfs/dbraw/zinc/97/97/76/387979776.db2.gz ZIWDVPHSXKJVHV-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000238375659 387973573 /nfs/dbraw/zinc/97/35/73/387973573.db2.gz SDFAWIMHEMUDAO-DGCLKSJQSA-N 1 3 210.365 2.439 20 0 BEADHO CCC[C@H](NCCC[NH3+])c1ccc(OC)cc1 ZINC000423188456 387974204 /nfs/dbraw/zinc/97/42/04/387974204.db2.gz ZGKHJGARVUQGPV-AWEZNQCLSA-N 1 3 236.359 2.475 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])CS1 ZINC000423189905 387974384 /nfs/dbraw/zinc/97/43/84/387974384.db2.gz RMHKHGUVWPVCQE-RHYQMDGZSA-N 1 3 228.405 2.130 20 0 BEADHO COC[C@@H]([NH2+]CC1(N)CCCCCC1)C1CC1 ZINC000423202598 387989742 /nfs/dbraw/zinc/98/97/42/387989742.db2.gz REKJOFOMPTXUMY-CYBMUJFWSA-N 1 3 240.391 2.053 20 0 BEADHO COC[C@@H](NCC1([NH3+])CCCCCC1)C1CC1 ZINC000423202598 387989743 /nfs/dbraw/zinc/98/97/43/387989743.db2.gz REKJOFOMPTXUMY-CYBMUJFWSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423202646 387989846 /nfs/dbraw/zinc/98/98/46/387989846.db2.gz BIDKTDBFGDOCNU-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1CCSCC1 ZINC000423210084 387995146 /nfs/dbraw/zinc/99/51/46/387995146.db2.gz JPJSTADEPCQPIE-RYUDHWBXSA-N 1 3 242.432 2.107 20 0 BEADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[NH3+] ZINC000423196642 387982543 /nfs/dbraw/zinc/98/25/43/387982543.db2.gz VTNFBDMTJPRJOR-DGCLKSJQSA-N 1 3 218.344 2.482 20 0 BEADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCN ZINC000423197240 387982649 /nfs/dbraw/zinc/98/26/49/387982649.db2.gz YNQMLSTXLMYZQF-JTQLQIEISA-N 1 3 242.313 2.224 20 0 BEADHO C[C@@H](CCc1c(F)cccc1F)NCCC[NH3+] ZINC000423197240 387982651 /nfs/dbraw/zinc/98/26/51/387982651.db2.gz YNQMLSTXLMYZQF-JTQLQIEISA-N 1 3 242.313 2.224 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423198918 387985478 /nfs/dbraw/zinc/98/54/78/387985478.db2.gz IQVRSKMZULYAAL-UKRRQHHQSA-N 1 3 247.386 2.307 20 0 BEADHO C[NH2+]CCCN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423198918 387985483 /nfs/dbraw/zinc/98/54/83/387985483.db2.gz IQVRSKMZULYAAL-UKRRQHHQSA-N 1 3 247.386 2.307 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H]1CCCNC1 ZINC000423213066 387995763 /nfs/dbraw/zinc/99/57/63/387995763.db2.gz MUXGXGBFVJPJKR-UPJWGTAASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000420399471 387999181 /nfs/dbraw/zinc/99/91/81/387999181.db2.gz HYRUSEONKDVQMR-STQMWFEESA-N 1 3 233.359 2.122 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C)CC1 ZINC000423216752 387999426 /nfs/dbraw/zinc/99/94/26/387999426.db2.gz QSWMLVAIXOTDBV-WSMDXJOWSA-N 1 3 208.349 2.048 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424375619 387999738 /nfs/dbraw/zinc/99/97/38/387999738.db2.gz KNWORQUUJAFXGG-URBCHYCLSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@H](N)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000423222609 388004364 /nfs/dbraw/zinc/00/43/64/388004364.db2.gz BWBHQLGZYHKXKX-GWCFXTLKSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1CCCc2sccc21 ZINC000423223508 388006056 /nfs/dbraw/zinc/00/60/56/388006056.db2.gz AHAVRPNQKAQGOY-ONGXEEELSA-N 1 3 224.373 2.452 20 0 BEADHO COc1ccc2c(c1)[C@@H](NCC[C@H](C)[NH3+])CC2 ZINC000423224579 388006478 /nfs/dbraw/zinc/00/64/78/388006478.db2.gz CMUGYABGEVLKHR-HZMBPMFUSA-N 1 3 234.343 2.009 20 0 BEADHO C[NH2+]CCN[C@H](CCc1ccccc1)C(C)C ZINC000423225602 388007630 /nfs/dbraw/zinc/00/76/30/388007630.db2.gz NLLHSDAIAMLMJQ-OAHLLOKOSA-N 1 3 234.387 2.453 20 0 BEADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C12CCCC2 ZINC000423226849 388011215 /nfs/dbraw/zinc/01/12/15/388011215.db2.gz SNQCDUCBHZPYMA-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)C12CCCC2 ZINC000423226849 388011219 /nfs/dbraw/zinc/01/12/19/388011219.db2.gz SNQCDUCBHZPYMA-RWMBFGLXSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1(C)C ZINC000424372124 387996795 /nfs/dbraw/zinc/99/67/95/387996795.db2.gz HCEWVMIPPHOBAK-LPWJVIDDSA-N 1 3 240.391 2.050 20 0 BEADHO Cc1nc([C@H](C)NCC[C@@H]2CC[NH2+]C2)cs1 ZINC000423240727 388024511 /nfs/dbraw/zinc/02/45/11/388024511.db2.gz CRDWUFCCAZXSQE-ONGXEEELSA-N 1 3 239.388 2.102 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCc2c1cccc2F ZINC000423227835 388013173 /nfs/dbraw/zinc/01/31/73/388013173.db2.gz XFVPATGRADQKJO-TVQRCGJNSA-N 1 3 222.307 2.140 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246151573 388013896 /nfs/dbraw/zinc/01/38/96/388013896.db2.gz CDPFHFWLGWJEDL-KGLIPLIRSA-N 1 3 224.392 2.450 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000246151573 388013899 /nfs/dbraw/zinc/01/38/99/388013899.db2.gz CDPFHFWLGWJEDL-KGLIPLIRSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000423231924 388016906 /nfs/dbraw/zinc/01/69/06/388016906.db2.gz HMDARNNJVIZZHM-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO FC(F)C1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000423233718 388018597 /nfs/dbraw/zinc/01/85/97/388018597.db2.gz KKWRGIYGDCVBBC-VQXHTEKXSA-N 1 3 232.318 2.152 20 0 BEADHO FC(F)C1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000423233717 388018681 /nfs/dbraw/zinc/01/86/81/388018681.db2.gz KKWRGIYGDCVBBC-ILDUYXDCSA-N 1 3 232.318 2.152 20 0 BEADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000423238549 388023206 /nfs/dbraw/zinc/02/32/06/388023206.db2.gz VPDLPQKFSAOQFF-VHSXEESVSA-N 1 3 210.296 2.214 20 0 BEADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000423255430 388036643 /nfs/dbraw/zinc/03/66/43/388036643.db2.gz CBRLDXCQFSXJGX-NEPJUHHUSA-N 1 3 222.332 2.320 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423264861 388042088 /nfs/dbraw/zinc/04/20/88/388042088.db2.gz CJDSETBFBLVZFQ-ABAIWWIYSA-N 1 3 248.370 2.351 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423264862 388042293 /nfs/dbraw/zinc/04/22/93/388042293.db2.gz CJDSETBFBLVZFQ-IAQYHMDHSA-N 1 3 248.370 2.351 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H]1CCC12CCCC2 ZINC000423266128 388043909 /nfs/dbraw/zinc/04/39/09/388043909.db2.gz CWQPXDZAIASFHS-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO CCC[C@H](NCC[NH2+]CC)C(C)(C)C ZINC000423245504 388027819 /nfs/dbraw/zinc/02/78/19/388027819.db2.gz YJVBWNCUXZPVBY-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1 ZINC000423246601 388029570 /nfs/dbraw/zinc/02/95/70/388029570.db2.gz ZLXZRTDVJCNFPO-STQMWFEESA-N 1 3 210.365 2.463 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2ccc(C)cc21 ZINC000423274631 388055841 /nfs/dbraw/zinc/05/58/41/388055841.db2.gz MEPKJRWQZXOMBW-IUODEOHRSA-N 1 3 232.371 2.427 20 0 BEADHO CNC[C@@H](C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000423282009 388063122 /nfs/dbraw/zinc/06/31/22/388063122.db2.gz WEELCLMYPRHSEP-IBEXFIOLSA-N 1 3 236.403 2.256 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CNC ZINC000423284416 388067140 /nfs/dbraw/zinc/06/71/40/388067140.db2.gz YLDWFLKRNPIIHJ-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CNC ZINC000423284419 388067655 /nfs/dbraw/zinc/06/76/55/388067655.db2.gz YLDWFLKRNPIIHJ-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@@H](N)C(C)C)c1cccnc1 ZINC000423285375 388068806 /nfs/dbraw/zinc/06/88/06/388068806.db2.gz ZFBDFIKDNLZODV-ZIAGYGMSSA-N 1 3 235.375 2.352 20 0 BEADHO CCO[C@H]1C[C@H](NCC(C)(C)[NH3+])C1(CC)CC ZINC000423286907 388071538 /nfs/dbraw/zinc/07/15/38/388071538.db2.gz JJFWQRNYHGVTQN-RYUDHWBXSA-N 1 3 242.407 2.297 20 0 BEADHO CC(C)CO[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423290372 388073955 /nfs/dbraw/zinc/07/39/55/388073955.db2.gz ZVPBVTYNUZSPEP-VXGBXAGGSA-N 1 3 242.407 2.153 20 0 BEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(F)c1 ZINC000084218465 388075440 /nfs/dbraw/zinc/07/54/40/388075440.db2.gz ILKOPSIHLNOYFY-DGCLKSJQSA-N 1 3 222.307 2.043 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1 ZINC000084217746 388075543 /nfs/dbraw/zinc/07/55/43/388075543.db2.gz ADVNANUONCYZQX-WCQYABFASA-N 1 3 222.307 2.043 20 0 BEADHO CCc1nc(C)c([C@@H](C)NC[C@H](C)C[NH3+])s1 ZINC000423295550 388076970 /nfs/dbraw/zinc/07/69/70/388076970.db2.gz FCRMAJBFRHSWLK-RKDXNWHRSA-N 1 3 241.404 2.259 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000423295544 388077010 /nfs/dbraw/zinc/07/70/10/388077010.db2.gz FCLNSQUVJFBLBR-GXFFZTMASA-N 1 3 224.323 2.461 20 0 BEADHO Cc1nc2c(s1)[C@H](NC[C@@H](C)C[NH3+])CCC2 ZINC000423297514 388080163 /nfs/dbraw/zinc/08/01/63/388080163.db2.gz KPICBQODINCPCP-WCBMZHEXSA-N 1 3 239.388 2.013 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000324262463 388115748 /nfs/dbraw/zinc/11/57/48/388115748.db2.gz LXTTZTYLJAWNKJ-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000324262469 388115982 /nfs/dbraw/zinc/11/59/82/388115982.db2.gz LXTTZTYLJAWNKJ-STQMWFEESA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](C)N ZINC000261528049 135152669 /nfs/dbraw/zinc/15/26/69/135152669.db2.gz JCVPLOSJQCMHMO-DTWKUNHWSA-N 1 3 212.724 2.165 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000261528051 135152733 /nfs/dbraw/zinc/15/27/33/135152733.db2.gz JCVPLOSJQCMHMO-RKDXNWHRSA-N 1 3 212.724 2.165 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423266964 388045122 /nfs/dbraw/zinc/04/51/22/388045122.db2.gz DMNAFMLJFLMRDR-XQQFMLRXSA-N 1 3 242.407 2.024 20 0 BEADHO CNC[C@H](C)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000423269137 388048431 /nfs/dbraw/zinc/04/84/31/388048431.db2.gz GSHSMNARHZMQGW-QJPTWQEYSA-N 1 3 212.381 2.256 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](N)C(C)C)CC2 ZINC000423270593 388049903 /nfs/dbraw/zinc/04/99/03/388049903.db2.gz ICSILLFYEPVABM-HUUCEWRRSA-N 1 3 248.370 2.255 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423271205 388050116 /nfs/dbraw/zinc/05/01/16/388050116.db2.gz IRXOIACKTSVQIU-BBRMVZONSA-N 1 3 246.398 2.453 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C ZINC000423271964 388050833 /nfs/dbraw/zinc/05/08/33/388050833.db2.gz JMZVNNMWNVPPRE-GHMZBOCLSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@@H](Cc1ccoc1)[NH2+]CCCN1CCCC1 ZINC000449219527 388158916 /nfs/dbraw/zinc/15/89/16/388158916.db2.gz NPAMLZYOVROJQQ-ZDUSSCGKSA-N 1 3 236.359 2.286 20 0 BEADHO C[C@@H](Cc1ccoc1)NCCC[NH+]1CCCC1 ZINC000449219527 388158918 /nfs/dbraw/zinc/15/89/18/388158918.db2.gz NPAMLZYOVROJQQ-ZDUSSCGKSA-N 1 3 236.359 2.286 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000488464205 388181031 /nfs/dbraw/zinc/18/10/31/388181031.db2.gz RGNFRHTYQQQAFB-SWLSCSKDSA-N 1 3 232.371 2.494 20 0 BEADHO CCCN[C@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000449124155 388145580 /nfs/dbraw/zinc/14/55/80/388145580.db2.gz FSTBTXRWDFTCGE-WDEREUQCSA-N 1 3 249.358 2.033 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000166224739 388254469 /nfs/dbraw/zinc/25/44/69/388254469.db2.gz CYYCZCKLPMETPY-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000166224739 388254471 /nfs/dbraw/zinc/25/44/71/388254471.db2.gz CYYCZCKLPMETPY-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000164421977 388238194 /nfs/dbraw/zinc/23/81/94/388238194.db2.gz PTECQPJVAUOSNZ-STQMWFEESA-N 1 3 212.381 2.495 20 0 BEADHO CCSCCNC[C@H](C)C[NH+]1CCCC1 ZINC000164794331 388248136 /nfs/dbraw/zinc/24/81/36/388248136.db2.gz XPWBDQSHWGETSQ-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCC[NH2+]C[C@H](C)CN1CCCC1 ZINC000164794331 388248138 /nfs/dbraw/zinc/24/81/38/388248138.db2.gz XPWBDQSHWGETSQ-LBPRGKRZSA-N 1 3 230.421 2.061 20 0 BEADHO CCC[N@H+](C[C@H]1CC[C@H](C)O1)C1CCNCC1 ZINC000300034452 388346268 /nfs/dbraw/zinc/34/62/68/388346268.db2.gz XMZYAULPWGHSIR-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[N@@H+](C[C@H]1CC[C@H](C)O1)C1CCNCC1 ZINC000300034452 388346270 /nfs/dbraw/zinc/34/62/70/388346270.db2.gz XMZYAULPWGHSIR-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN(C[C@H]1CC[C@H](C)O1)C1CC[NH2+]CC1 ZINC000300034452 388346273 /nfs/dbraw/zinc/34/62/73/388346273.db2.gz XMZYAULPWGHSIR-GXTWGEPZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCC(F)(F)C2)CC[C@@H]1[NH3+] ZINC000300785735 388394123 /nfs/dbraw/zinc/39/41/23/388394123.db2.gz BEBQREPYARJJFF-VWYCJHECSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCC(F)(F)C1 ZINC000300997954 388397288 /nfs/dbraw/zinc/39/72/88/388397288.db2.gz VHKLEWWKLKSFKN-VWYCJHECSA-N 1 3 232.318 2.233 20 0 BEADHO Cc1cccnc1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000405034068 388449419 /nfs/dbraw/zinc/44/94/19/388449419.db2.gz QHEGYZKHVJBSRS-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccnc1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000405034068 388449420 /nfs/dbraw/zinc/44/94/20/388449420.db2.gz QHEGYZKHVJBSRS-DZGCQCFKSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1CCSCC1)CN(C)C ZINC000336725246 388470340 /nfs/dbraw/zinc/47/03/40/388470340.db2.gz BKNZYWTYRZXGBA-VXGBXAGGSA-N 1 3 244.448 2.305 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000245630666 388426127 /nfs/dbraw/zinc/42/61/27/388426127.db2.gz PYGVYQQLMWTVOK-GXTWGEPZSA-N 1 3 222.376 2.345 20 0 BEADHO CN1CCC[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000245630666 388426128 /nfs/dbraw/zinc/42/61/28/388426128.db2.gz PYGVYQQLMWTVOK-GXTWGEPZSA-N 1 3 222.376 2.345 20 0 BEADHO COC[C@H](C)C[N@H+](CCCN)CC1CCCC1 ZINC000573249158 388433144 /nfs/dbraw/zinc/43/31/44/388433144.db2.gz WZLRIPLJHAHZKZ-CYBMUJFWSA-N 1 3 242.407 2.110 20 0 BEADHO COC[C@H](C)C[N@@H+](CCCN)CC1CCCC1 ZINC000573249158 388433146 /nfs/dbraw/zinc/43/31/46/388433146.db2.gz WZLRIPLJHAHZKZ-CYBMUJFWSA-N 1 3 242.407 2.110 20 0 BEADHO CO[C@@H](CNC1CC[NH+](C(C)C)CC1)C(C)C ZINC000341284429 388495788 /nfs/dbraw/zinc/49/57/88/388495788.db2.gz PUPXEXYHHOIPRA-AWEZNQCLSA-N 1 3 242.407 2.120 20 0 BEADHO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346832533 388520352 /nfs/dbraw/zinc/52/03/52/388520352.db2.gz QXEGAEZHXGSDSM-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346832533 388520353 /nfs/dbraw/zinc/52/03/53/388520353.db2.gz QXEGAEZHXGSDSM-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H]1CCC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000516878615 388522728 /nfs/dbraw/zinc/52/27/28/388522728.db2.gz QLCFCVGOBWXTGT-AVGNSLFASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)N(C)CCC[NH2+]CC(C)(C)C ZINC000163788005 135184593 /nfs/dbraw/zinc/18/45/93/135184593.db2.gz RHWHUFKJCUFNAZ-UHFFFAOYSA-N 1 3 200.370 2.352 20 0 BEADHO CS[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000521192234 388564198 /nfs/dbraw/zinc/56/41/98/388564198.db2.gz OCILFBUQBHIHSM-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000521192234 388564199 /nfs/dbraw/zinc/56/41/99/388564199.db2.gz OCILFBUQBHIHSM-QWHCGFSZSA-N 1 3 242.432 2.298 20 0 BEADHO CCC[C@@H](C)CN1CCC([NH2+]CCOC)CC1 ZINC000548881183 388568273 /nfs/dbraw/zinc/56/82/73/388568273.db2.gz DAJZTGOZOSSLPO-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000191804371 388671038 /nfs/dbraw/zinc/67/10/38/388671038.db2.gz DKRNZHFQAXQCHV-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000191804371 388671039 /nfs/dbraw/zinc/67/10/39/388671039.db2.gz DKRNZHFQAXQCHV-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1CC[C@@H](C)[C@@H]1C ZINC000191804371 388671040 /nfs/dbraw/zinc/67/10/40/388671040.db2.gz DKRNZHFQAXQCHV-OLZOCXBDSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000530176041 388619065 /nfs/dbraw/zinc/61/90/65/388619065.db2.gz AHFOIFSMYIUBSS-WOPDTQHZSA-N 1 3 208.349 2.049 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530179106 388621374 /nfs/dbraw/zinc/62/13/74/388621374.db2.gz TXLHBEDXFOJJJI-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)OCC ZINC000530212613 388627596 /nfs/dbraw/zinc/62/75/96/388627596.db2.gz RDBPGNMVAGONMS-MGPQQGTHSA-N 1 3 242.407 2.169 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)OCC ZINC000530212613 388627598 /nfs/dbraw/zinc/62/75/98/388627598.db2.gz RDBPGNMVAGONMS-MGPQQGTHSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530213066 388627959 /nfs/dbraw/zinc/62/79/59/388627959.db2.gz TTYLTTHMKOAKFU-AAEUAGOBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530213066 388627961 /nfs/dbraw/zinc/62/79/61/388627961.db2.gz TTYLTTHMKOAKFU-AAEUAGOBSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C(C)C ZINC000530217461 388629976 /nfs/dbraw/zinc/62/99/76/388629976.db2.gz GQBWZNLADXFZKB-VXGBXAGGSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530217461 388629978 /nfs/dbraw/zinc/62/99/78/388629978.db2.gz GQBWZNLADXFZKB-VXGBXAGGSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000530216351 388630479 /nfs/dbraw/zinc/63/04/79/388630479.db2.gz AXPAGDWQOXAFPT-QJPTWQEYSA-N 1 3 210.365 2.295 20 0 BEADHO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)N ZINC000530233651 388636550 /nfs/dbraw/zinc/63/65/50/388636550.db2.gz ZPUIPIUTJBBOED-GFCCVEGCSA-N 1 3 236.359 2.254 20 0 BEADHO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C)N ZINC000530233651 388636551 /nfs/dbraw/zinc/63/65/51/388636551.db2.gz ZPUIPIUTJBBOED-GFCCVEGCSA-N 1 3 236.359 2.254 20 0 BEADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)[C@H]1CCCO1 ZINC000248603830 388685429 /nfs/dbraw/zinc/68/54/29/388685429.db2.gz OPIULKKYDMHDCR-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000248603830 388685432 /nfs/dbraw/zinc/68/54/32/388685432.db2.gz OPIULKKYDMHDCR-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000248603830 388685435 /nfs/dbraw/zinc/68/54/35/388685435.db2.gz OPIULKKYDMHDCR-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H]1CCCO1 ZINC000248603834 388685730 /nfs/dbraw/zinc/68/57/30/388685730.db2.gz OPIULKKYDMHDCR-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000248603834 388685734 /nfs/dbraw/zinc/68/57/34/388685734.db2.gz OPIULKKYDMHDCR-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000248603834 388685737 /nfs/dbraw/zinc/68/57/37/388685737.db2.gz OPIULKKYDMHDCR-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000227006723 388736749 /nfs/dbraw/zinc/73/67/49/388736749.db2.gz RBYJKEDBDWLPGK-UTUOFQBUSA-N 1 3 228.405 2.132 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCCS2)C1 ZINC000227006723 388736752 /nfs/dbraw/zinc/73/67/52/388736752.db2.gz RBYJKEDBDWLPGK-UTUOFQBUSA-N 1 3 228.405 2.132 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251214398 388746003 /nfs/dbraw/zinc/74/60/03/388746003.db2.gz NCHMNIFHVAOTIW-XBFCOCLRSA-N 1 3 222.376 2.391 20 0 BEADHO [NH3+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000521398903 388704444 /nfs/dbraw/zinc/70/44/44/388704444.db2.gz GMASNXQZSDUFSG-CQSZACIVSA-N 1 3 230.355 2.247 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000554095447 388800067 /nfs/dbraw/zinc/80/00/67/388800067.db2.gz FNDHLNSTAPQOMF-HTFCKZLJSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@@H]2CCC[C@@H]21 ZINC000554095447 388800069 /nfs/dbraw/zinc/80/00/69/388800069.db2.gz FNDHLNSTAPQOMF-HTFCKZLJSA-N 1 3 244.329 2.102 20 0 BEADHO Cc1ccsc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000228065881 388766798 /nfs/dbraw/zinc/76/67/98/388766798.db2.gz CDXIMQUNQSOJCG-GHMZBOCLSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000228065881 388766800 /nfs/dbraw/zinc/76/68/00/388766800.db2.gz CDXIMQUNQSOJCG-GHMZBOCLSA-N 1 3 224.373 2.226 20 0 BEADHO Cc1ccsc1C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000228065881 388766804 /nfs/dbraw/zinc/76/68/04/388766804.db2.gz CDXIMQUNQSOJCG-GHMZBOCLSA-N 1 3 224.373 2.226 20 0 BEADHO CCOC[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128531842 388768316 /nfs/dbraw/zinc/76/83/16/388768316.db2.gz LLNFCLHOPMOEKE-NSHDSACASA-N 1 3 242.407 2.310 20 0 BEADHO CCOC[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128531842 388768319 /nfs/dbraw/zinc/76/83/19/388768319.db2.gz LLNFCLHOPMOEKE-NSHDSACASA-N 1 3 242.407 2.310 20 0 BEADHO CCOC[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128531646 388768356 /nfs/dbraw/zinc/76/83/56/388768356.db2.gz LLNFCLHOPMOEKE-LLVKDONJSA-N 1 3 242.407 2.310 20 0 BEADHO CCOC[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128531646 388768359 /nfs/dbraw/zinc/76/83/59/388768359.db2.gz LLNFCLHOPMOEKE-LLVKDONJSA-N 1 3 242.407 2.310 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000539624863 388768513 /nfs/dbraw/zinc/76/85/13/388768513.db2.gz CDGOSYOGYDFAHE-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCOC(C)(C)C)[C@H](C)C1 ZINC000539624863 388768518 /nfs/dbraw/zinc/76/85/18/388768518.db2.gz CDGOSYOGYDFAHE-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CCOC[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000128591892 388772858 /nfs/dbraw/zinc/77/28/58/388772858.db2.gz PECPFTDKAVEQKJ-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCOC2CCCCC2)C1 ZINC000093216152 388829791 /nfs/dbraw/zinc/82/97/91/388829791.db2.gz IXZOULNDXDFNFY-OLZOCXBDSA-N 1 3 240.391 2.195 20 0 BEADHO CCN(CC)CCC[NH+]1C2CCC1CC2 ZINC000554803391 388830830 /nfs/dbraw/zinc/83/08/30/388830830.db2.gz NDMPTPOLUILLQC-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO N[C@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000565226876 388929214 /nfs/dbraw/zinc/92/92/14/388929214.db2.gz OSVUKDXUMKVVAC-WDEREUQCSA-N 1 3 232.318 2.281 20 0 BEADHO CCNCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000566087903 388986543 /nfs/dbraw/zinc/98/65/43/388986543.db2.gz BVLZTMQSMZWHCK-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccc(C[NH2+]CC2=CCN(C)CC2)s1 ZINC000271823046 389025940 /nfs/dbraw/zinc/02/59/40/389025940.db2.gz NGHSSWXAYDPGBU-UHFFFAOYSA-N 1 3 236.384 2.408 20 0 BEADHO C([NH2+][C@@H]1CCCNCC1)[C@H]1CCCCS1 ZINC000168772924 533369020 /nfs/dbraw/zinc/36/90/20/533369020.db2.gz VPRWSIWPKDAOSU-VXGBXAGGSA-N 1 3 228.405 2.004 20 0 BEADHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCS1 ZINC000168772924 533369023 /nfs/dbraw/zinc/36/90/23/533369023.db2.gz VPRWSIWPKDAOSU-VXGBXAGGSA-N 1 3 228.405 2.004 20 0 BEADHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CCCCS1 ZINC000168773003 533371875 /nfs/dbraw/zinc/37/18/75/533371875.db2.gz VPRWSIWPKDAOSU-RYUDHWBXSA-N 1 3 228.405 2.004 20 0 BEADHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCCS1 ZINC000168773003 533371878 /nfs/dbraw/zinc/37/18/78/533371878.db2.gz VPRWSIWPKDAOSU-RYUDHWBXSA-N 1 3 228.405 2.004 20 0 BEADHO C[C@@H](N[C@@H](C)C1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400378474 533495327 /nfs/dbraw/zinc/49/53/27/533495327.db2.gz JMFGYNGFYSLMHM-DMDPSCGWSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CCCN1 ZINC000400378474 533495330 /nfs/dbraw/zinc/49/53/30/533495330.db2.gz JMFGYNGFYSLMHM-DMDPSCGWSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](C)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000295899641 132221302 /nfs/dbraw/zinc/22/13/02/132221302.db2.gz FALUZLOKXJIBGO-ZDUSSCGKSA-N 1 3 233.359 2.311 20 0 BEADHO C[C@H]1C[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000052272861 132362115 /nfs/dbraw/zinc/36/21/15/132362115.db2.gz UHCJZRGFPDMTLK-SMDDNHRTSA-N 1 3 231.343 2.048 20 0 BEADHO C[C@@H]1CCSCCN1CC[C@H]1CCC[N@@H+]1C ZINC000335938085 134013035 /nfs/dbraw/zinc/01/30/35/134013035.db2.gz OAFKSKFMSOHTBF-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1CCSCCN1CC[C@H]1CCC[N@H+]1C ZINC000335938085 134013036 /nfs/dbraw/zinc/01/30/36/134013036.db2.gz OAFKSKFMSOHTBF-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCCCF)C1 ZINC000352002465 134033667 /nfs/dbraw/zinc/03/36/67/134033667.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCF)C1 ZINC000352002465 134033668 /nfs/dbraw/zinc/03/36/68/134033668.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCCCF)C1 ZINC000352002465 134033669 /nfs/dbraw/zinc/03/36/69/134033669.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCF)C1 ZINC000352002465 134033670 /nfs/dbraw/zinc/03/36/70/134033670.db2.gz HLSPCFBRRRHUPY-LBPRGKRZSA-N 1 3 216.344 2.010 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC000352003347 134034430 /nfs/dbraw/zinc/03/44/30/134034430.db2.gz LLXTYQZFSNGIHB-VXGBXAGGSA-N 1 3 216.344 2.008 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352003347 134034431 /nfs/dbraw/zinc/03/44/31/134034431.db2.gz LLXTYQZFSNGIHB-VXGBXAGGSA-N 1 3 216.344 2.008 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](CC[C@@H](C)F)C1 ZINC000352030396 134045179 /nfs/dbraw/zinc/04/51/79/134045179.db2.gz VTAMLQPSGYXJRA-OLZOCXBDSA-N 1 3 230.371 2.398 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC000352030396 134045180 /nfs/dbraw/zinc/04/51/80/134045180.db2.gz VTAMLQPSGYXJRA-OLZOCXBDSA-N 1 3 230.371 2.398 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@H](N)[C@H](C)C2)cc1 ZINC000336128590 134093610 /nfs/dbraw/zinc/09/36/10/134093610.db2.gz FEZBXXCFABHLKG-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@H](N)[C@H](C)C2)cc1 ZINC000336128590 134093611 /nfs/dbraw/zinc/09/36/11/134093611.db2.gz FEZBXXCFABHLKG-HIFRSBDPSA-N 1 3 232.371 2.207 20 0 BEADHO COCCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000178305198 134305988 /nfs/dbraw/zinc/30/59/88/134305988.db2.gz ISPSKAKNKBEYHR-IHRRRGAJSA-N 1 3 242.407 2.264 20 0 BEADHO Cc1ccc(CN[C@@H](C)CC[NH3+])c(C)c1 ZINC000220516452 134309529 /nfs/dbraw/zinc/30/95/29/134309529.db2.gz BBSUBJIQLDUDAO-LBPRGKRZSA-N 1 3 206.333 2.130 20 0 BEADHO Cc1cccc(CN[C@H](C)CC[NH3+])c1C ZINC000220528694 134309688 /nfs/dbraw/zinc/30/96/88/134309688.db2.gz MLXULTKRLHTUQM-LLVKDONJSA-N 1 3 206.333 2.130 20 0 BEADHO CSc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000220518808 134309781 /nfs/dbraw/zinc/30/97/81/134309781.db2.gz HKXYYRHBHFDAOA-JTQLQIEISA-N 1 3 224.373 2.235 20 0 BEADHO C[C@@H](C[NH2+]C[C@H]1CCSC1)CN1CCCC1 ZINC000224420457 134347215 /nfs/dbraw/zinc/34/72/15/134347215.db2.gz QLSQJDHRDHJLOA-QWHCGFSZSA-N 1 3 242.432 2.061 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCSC1 ZINC000224622058 134349476 /nfs/dbraw/zinc/34/94/76/134349476.db2.gz NAULQEGMBFCWCL-RYUDHWBXSA-N 1 3 230.421 2.045 20 0 BEADHO CC(C)OCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250577309 135053833 /nfs/dbraw/zinc/05/38/33/135053833.db2.gz FOPUAUSBUNVECE-KGLIPLIRSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250577309 135053835 /nfs/dbraw/zinc/05/38/35/135053835.db2.gz FOPUAUSBUNVECE-KGLIPLIRSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252018434 135082239 /nfs/dbraw/zinc/08/22/39/135082239.db2.gz WYOVUARAIRKMQA-FKJOKYEKSA-N 1 3 210.365 2.247 20 0 BEADHO C1CC([NH2+][C@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000086500060 135087373 /nfs/dbraw/zinc/08/73/73/135087373.db2.gz CNGPJEIAUDUBLH-MJBXVCDLSA-N 1 3 222.376 2.439 20 0 BEADHO C1CC1N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000086499878 135087440 /nfs/dbraw/zinc/08/74/40/135087440.db2.gz ZKIHBVNAKCCARB-UPJWGTAASA-N 1 3 208.349 2.049 20 0 BEADHO Cc1csc([C@H](C)NC2CCC([NH3+])CC2)n1 ZINC000086730392 135096029 /nfs/dbraw/zinc/09/60/29/135096029.db2.gz LBFAQWONSWFNNI-WHXUTIOJSA-N 1 3 239.388 2.372 20 0 BEADHO CC(C)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252695928 135096614 /nfs/dbraw/zinc/09/66/14/135096614.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252695928 135096616 /nfs/dbraw/zinc/09/66/16/135096616.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252695928 135096617 /nfs/dbraw/zinc/09/66/17/135096617.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 1 3 224.392 2.449 20 0 BEADHO CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252695928 135096620 /nfs/dbraw/zinc/09/66/20/135096620.db2.gz AYPGVLVFQCYHSV-KBPBESRZSA-N 1 3 224.392 2.449 20 0 BEADHO CSCC[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000252690071 135096810 /nfs/dbraw/zinc/09/68/10/135096810.db2.gz TWDQYWZOJIZKNF-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000252690071 135096812 /nfs/dbraw/zinc/09/68/12/135096812.db2.gz TWDQYWZOJIZKNF-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO CSCC[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000252690071 135096813 /nfs/dbraw/zinc/09/68/13/135096813.db2.gz TWDQYWZOJIZKNF-NEPJUHHUSA-N 1 3 230.421 2.059 20 0 BEADHO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261551120 135109135 /nfs/dbraw/zinc/10/91/35/135109135.db2.gz SDXFWNMPBOQFLG-ZWNOBZJWSA-N 1 3 241.338 2.327 20 0 BEADHO C[C@@H]1C[C@H](CN2Cc3ccccc3C2)CC[NH2+]1 ZINC000261539970 135109141 /nfs/dbraw/zinc/10/91/41/135109141.db2.gz CVOGTYIDIURRIJ-CHWSQXEVSA-N 1 3 230.355 2.390 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000253285781 135126365 /nfs/dbraw/zinc/12/63/65/135126365.db2.gz OAUJZIDOXZYVBN-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000257737985 135140748 /nfs/dbraw/zinc/14/07/48/135140748.db2.gz YJESFOKPQNOMDY-INIZCTEOSA-N 1 3 244.382 2.489 20 0 BEADHO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000257789557 135141528 /nfs/dbraw/zinc/14/15/28/135141528.db2.gz XGYZEFMDIWROOC-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000257789557 135141529 /nfs/dbraw/zinc/14/15/29/135141529.db2.gz XGYZEFMDIWROOC-KGLIPLIRSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCC1(C)C ZINC000261530600 135158116 /nfs/dbraw/zinc/15/81/16/135158116.db2.gz CUFCAXXKWVDTMV-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(CN)C1 ZINC000261530672 135158529 /nfs/dbraw/zinc/15/85/29/135158529.db2.gz NKAROOLZORJQCJ-TZMCWYRMSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@](C)(CN)C1 ZINC000261530672 135158530 /nfs/dbraw/zinc/15/85/30/135158530.db2.gz NKAROOLZORJQCJ-TZMCWYRMSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@](C)(C[NH3+])C1 ZINC000261530672 135158532 /nfs/dbraw/zinc/15/85/32/135158532.db2.gz NKAROOLZORJQCJ-TZMCWYRMSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@@H]1CCC[C@H](NC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000261530823 135158740 /nfs/dbraw/zinc/15/87/40/135158740.db2.gz DFSJYTCDCBXGBU-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2)[C@H]1C ZINC000261530823 135158742 /nfs/dbraw/zinc/15/87/42/135158742.db2.gz DFSJYTCDCBXGBU-VOAKCMCISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])[C@H](C)NC[C@@H](C)c1ccccc1 ZINC000261531657 135161064 /nfs/dbraw/zinc/16/10/64/135161064.db2.gz HKLLTGQAVHNDHM-WOPDTQHZSA-N 1 3 206.333 2.115 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC1CCCC1 ZINC000261531589 135161244 /nfs/dbraw/zinc/16/12/44/135161244.db2.gz HEGSHJVHWVDGEM-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC1CCCC1 ZINC000261531589 135161245 /nfs/dbraw/zinc/16/12/45/135161245.db2.gz HEGSHJVHWVDGEM-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCCC1 ZINC000087647309 135161344 /nfs/dbraw/zinc/16/13/44/135161344.db2.gz LYBKILNMIGMTHZ-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CC1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000087646012 135161383 /nfs/dbraw/zinc/16/13/83/135161383.db2.gz RTVILVUEDVOYSA-CPCZMJQVSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000087646343 135161385 /nfs/dbraw/zinc/16/13/85/135161385.db2.gz JACKSXYTNGWUCF-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)CC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000261532601 135163236 /nfs/dbraw/zinc/16/32/36/135163236.db2.gz JXNUEOUCORBLLO-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCSC1 ZINC000261533918 135165834 /nfs/dbraw/zinc/16/58/34/135165834.db2.gz LFRXWXHHKJRCCX-UPJWGTAASA-N 1 3 242.432 2.392 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@H](C)[C@H](N)C2)c1 ZINC000261534253 135166755 /nfs/dbraw/zinc/16/67/55/135166755.db2.gz PASPCRFCOCPAPP-GXTWGEPZSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@H](C)[C@H](N)C2)c1 ZINC000261534253 135166756 /nfs/dbraw/zinc/16/67/56/135166756.db2.gz PASPCRFCOCPAPP-GXTWGEPZSA-N 1 3 218.344 2.082 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000261536361 135171097 /nfs/dbraw/zinc/17/10/97/135171097.db2.gz RJROZGJAIQMICC-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CCCNC2)C1 ZINC000261536746 135172051 /nfs/dbraw/zinc/17/20/51/135172051.db2.gz STWCNQFYYRDJCH-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2CCCNC2)C1 ZINC000261536746 135172053 /nfs/dbraw/zinc/17/20/53/135172053.db2.gz STWCNQFYYRDJCH-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000261537020 135173531 /nfs/dbraw/zinc/17/35/31/135173531.db2.gz UPBDOCGOENLOID-GUBZILKMSA-N 1 3 210.296 2.212 20 0 BEADHO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261537907 135174644 /nfs/dbraw/zinc/17/46/44/135174644.db2.gz WQFKQQDPDDADMJ-LPWJVIDDSA-N 1 3 210.365 2.282 20 0 BEADHO CC(C)SCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000261538720 135176311 /nfs/dbraw/zinc/17/63/11/135176311.db2.gz ZBJRIAHAIQSIKJ-RYUDHWBXSA-N 1 3 230.421 2.235 20 0 BEADHO CCc1ccccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261541251 135180648 /nfs/dbraw/zinc/18/06/48/135180648.db2.gz BAJWBVHNHGCULZ-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccccc1C[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261541251 135180650 /nfs/dbraw/zinc/18/06/50/135180650.db2.gz BAJWBVHNHGCULZ-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccccc1C[N@H+]1CC[C@@](C)(CN)C1 ZINC000261541251 135180652 /nfs/dbraw/zinc/18/06/52/135180652.db2.gz BAJWBVHNHGCULZ-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261542205 135182658 /nfs/dbraw/zinc/18/26/58/135182658.db2.gz NSYQRFYQGDCNLK-BFHYXJOUSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNCC2(C)C)cc1 ZINC000261543384 135183951 /nfs/dbraw/zinc/18/39/51/135183951.db2.gz DAUZKLWLPSGMHL-CQSZACIVSA-N 1 3 232.371 2.473 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1(C)C ZINC000261544458 135185331 /nfs/dbraw/zinc/18/53/31/135185331.db2.gz YFNCRNSLQOBOBF-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000261544458 135185332 /nfs/dbraw/zinc/18/53/32/135185332.db2.gz YFNCRNSLQOBOBF-FVCCEPFGSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000261549575 135188409 /nfs/dbraw/zinc/18/84/09/135188409.db2.gz KQTVCDDMIFGAES-BDAKNGLRSA-N 1 3 244.285 2.113 20 0 BEADHO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261551117 135190151 /nfs/dbraw/zinc/19/01/51/135190151.db2.gz SDXFWNMPBOQFLG-GXFFZTMASA-N 1 3 241.338 2.327 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216921 135193129 /nfs/dbraw/zinc/19/31/29/135193129.db2.gz GFZOIPZEYWVBPU-RAIGVLPGSA-N 1 3 210.365 2.282 20 0 BEADHO CC1(C)CCC(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261553836 135193612 /nfs/dbraw/zinc/19/36/12/135193612.db2.gz OGTZZHDLIRRYIY-OKILXGFUSA-N 1 3 236.403 2.354 20 0 BEADHO CCSCCN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000261557239 135197609 /nfs/dbraw/zinc/19/76/09/135197609.db2.gz XCLUCAZTNNVEEI-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO Cc1cccc(CN2CC[C@](C)(C[NH3+])C2)c1C ZINC000261565874 135207409 /nfs/dbraw/zinc/20/74/09/135207409.db2.gz YPUFJQBWKGSRHY-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C[N@@H+]2CC[C@](C)(CN)C2)c1C ZINC000261565874 135207410 /nfs/dbraw/zinc/20/74/10/135207410.db2.gz YPUFJQBWKGSRHY-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C[N@H+]2CC[C@](C)(CN)C2)c1C ZINC000261565874 135207412 /nfs/dbraw/zinc/20/74/12/135207412.db2.gz YPUFJQBWKGSRHY-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000261569479 135211153 /nfs/dbraw/zinc/21/11/53/135211153.db2.gz JWNAPEQBXWNWAX-HOCLYGCPSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261569197 135211193 /nfs/dbraw/zinc/21/11/93/135211193.db2.gz JPTRGPMHCOVEIA-HRCADAONSA-N 1 3 244.382 2.473 20 0 BEADHO Cc1cccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000261569478 135211427 /nfs/dbraw/zinc/21/14/27/135211427.db2.gz JWNAPEQBXWNWAX-GOEBONIOSA-N 1 3 244.382 2.345 20 0 BEADHO CN(CC1(C)CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261575066 135216568 /nfs/dbraw/zinc/21/65/68/135216568.db2.gz JOQQJIJFWFSHLR-FUNVUKJBSA-N 1 3 222.376 2.391 20 0 BEADHO Cc1ccc(CN[C@@](C)(C[NH3+])C(C)C)cc1 ZINC000261575430 135216712 /nfs/dbraw/zinc/21/67/12/135216712.db2.gz JRYNUCDONJQCOP-AWEZNQCLSA-N 1 3 220.360 2.458 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261583185 135224013 /nfs/dbraw/zinc/22/40/13/135224013.db2.gz RQZSOLQXXCRMCT-HRCADAONSA-N 1 3 244.382 2.473 20 0 BEADHO Cc1ccc([C@H]2CCCC[N@@H+]2CCN)cc1 ZINC000261584821 135225804 /nfs/dbraw/zinc/22/58/04/135225804.db2.gz QAZFLUFAIPQSJB-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccc([C@H]2CCCC[N@H+]2CCN)cc1 ZINC000261584821 135225805 /nfs/dbraw/zinc/22/58/05/135225805.db2.gz QAZFLUFAIPQSJB-CQSZACIVSA-N 1 3 218.344 2.481 20 0 BEADHO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000261585509 135227129 /nfs/dbraw/zinc/22/71/29/135227129.db2.gz QMVJCYFCQVMRML-DCAQKATOSA-N 1 3 222.332 2.082 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C[C@H]1C ZINC000261586987 135228414 /nfs/dbraw/zinc/22/84/14/135228414.db2.gz RLOLMQJTJSSXLZ-PEBLQZBPSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1CN(CC2CCC(C)(C)CC2)C[C@@H]1[NH3+] ZINC000261587255 135228556 /nfs/dbraw/zinc/22/85/56/135228556.db2.gz RPIYWLFIMCJURV-AAEUAGOBSA-N 1 3 224.392 2.482 20 0 BEADHO [NH3+][C@@H]1CC[C@@H]2CN(C/C=C/c3ccccc3)C[C@H]12 ZINC000261589264 135230453 /nfs/dbraw/zinc/23/04/53/135230453.db2.gz WEYFXHHMOUYZGT-UENUHNEHSA-N 1 3 242.366 2.369 20 0 BEADHO NC1(C[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC000261591701 135231840 /nfs/dbraw/zinc/23/18/40/135231840.db2.gz VMLTYZNBDZIXGA-UHFFFAOYSA-N 1 3 224.735 2.311 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000261592950 135233555 /nfs/dbraw/zinc/23/35/55/135233555.db2.gz WKDRGNXIDPLEGJ-RFGFWPKPSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCCNC1 ZINC000261546361 135238239 /nfs/dbraw/zinc/23/82/39/135238239.db2.gz KWYUBRNJUFHSOI-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCCNC1 ZINC000261546361 135238241 /nfs/dbraw/zinc/23/82/41/135238241.db2.gz KWYUBRNJUFHSOI-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000261546364 135238729 /nfs/dbraw/zinc/23/87/29/135238729.db2.gz KWYUBRNJUFHSOI-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCCNC1 ZINC000261546364 135238730 /nfs/dbraw/zinc/23/87/30/135238730.db2.gz KWYUBRNJUFHSOI-YNEHKIRRSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261715714 135247289 /nfs/dbraw/zinc/24/72/89/135247289.db2.gz KRVUHEKCIQFCRK-KGLIPLIRSA-N 1 3 218.344 2.069 20 0 BEADHO CC(C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261715714 135247290 /nfs/dbraw/zinc/24/72/90/135247290.db2.gz KRVUHEKCIQFCRK-KGLIPLIRSA-N 1 3 218.344 2.069 20 0 BEADHO CC(C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261715714 135247291 /nfs/dbraw/zinc/24/72/91/135247291.db2.gz KRVUHEKCIQFCRK-KGLIPLIRSA-N 1 3 218.344 2.069 20 0 BEADHO C[C@@H]1CC2(CCC2)CN1C[C@]1(C)CC[NH2+]C1 ZINC000261740106 135249204 /nfs/dbraw/zinc/24/92/04/135249204.db2.gz IHBACOPDXKTAJN-CHWSQXEVSA-N 1 3 222.376 2.251 20 0 BEADHO C(C1CC1)[N@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000261783767 135252549 /nfs/dbraw/zinc/25/25/49/135252549.db2.gz OALNXKYHHSTHOE-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO C(C1CC1)[N@@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000261783767 135252550 /nfs/dbraw/zinc/25/25/50/135252550.db2.gz OALNXKYHHSTHOE-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)ccc1C ZINC000261787633 135252986 /nfs/dbraw/zinc/25/29/86/135252986.db2.gz FYYJGFKQUCXKPM-OCCSQVGLSA-N 1 3 248.370 2.173 20 0 BEADHO C[C@H]1C[C@@H]1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261948516 135264838 /nfs/dbraw/zinc/26/48/38/135264838.db2.gz NNXTWXZFEUVSCU-WCQYABFASA-N 1 3 222.376 2.106 20 0 BEADHO C[C@@H](CN1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000261953064 135266503 /nfs/dbraw/zinc/26/65/03/135266503.db2.gz OGIRYWHIWMHQAF-NSHDSACASA-N 1 3 236.334 2.352 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017355 135272953 /nfs/dbraw/zinc/27/29/53/135272953.db2.gz VUNZJOKHBPPRGI-BVUBDWEXSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017355 135272954 /nfs/dbraw/zinc/27/29/54/135272954.db2.gz VUNZJOKHBPPRGI-BVUBDWEXSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017359 135273267 /nfs/dbraw/zinc/27/32/67/135273267.db2.gz VUNZJOKHBPPRGI-MIGQKNRLSA-N 1 3 244.382 2.317 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000262017359 135273269 /nfs/dbraw/zinc/27/32/69/135273269.db2.gz VUNZJOKHBPPRGI-MIGQKNRLSA-N 1 3 244.382 2.317 20 0 BEADHO CC(C)CCC[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299893488 135380761 /nfs/dbraw/zinc/38/07/61/135380761.db2.gz LSVOEQRJLCTMPD-OLZOCXBDSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)CCC[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299893488 135380763 /nfs/dbraw/zinc/38/07/63/135380763.db2.gz LSVOEQRJLCTMPD-OLZOCXBDSA-N 1 3 210.365 2.106 20 0 BEADHO [NH3+]C[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC000078793936 135396031 /nfs/dbraw/zinc/39/60/31/135396031.db2.gz KJKXIHGVGYADEX-AWEZNQCLSA-N 1 3 244.382 2.346 20 0 BEADHO CC[C@@H](COC)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079707270 135397238 /nfs/dbraw/zinc/39/72/38/135397238.db2.gz SVVDAXKQKLKJBE-NSHDSACASA-N 1 3 242.407 2.310 20 0 BEADHO CC[C@@H](COC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000079707270 135397240 /nfs/dbraw/zinc/39/72/40/135397240.db2.gz SVVDAXKQKLKJBE-NSHDSACASA-N 1 3 242.407 2.310 20 0 BEADHO CC[C@@H](COC)NC1CC[NH+](C(C)(C)C)CC1 ZINC000079713029 135397342 /nfs/dbraw/zinc/39/73/42/135397342.db2.gz QDROPGKAPAJRIU-LBPRGKRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1cccs1 ZINC000086494983 135492732 /nfs/dbraw/zinc/49/27/32/135492732.db2.gz XBJGKLGOFMTUGY-NWDGAFQWSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccccc1 ZINC000335024913 135866895 /nfs/dbraw/zinc/86/68/95/135866895.db2.gz PMGFEVZELPQVIY-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cnc([C@H](C)N2CCC3(C2)CC[NH2+]CC3)o1 ZINC000335390833 136090764 /nfs/dbraw/zinc/09/07/64/136090764.db2.gz BDGUXKYCRQOTSI-LBPRGKRZSA-N 1 3 249.358 2.120 20 0 BEADHO CN(C)c1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000517177196 397939839 /nfs/dbraw/zinc/93/98/39/397939839.db2.gz XEMNFEMXOPJOBN-ZIAGYGMSSA-N 1 3 247.386 2.112 20 0 BEADHO [NH3+][C@H]1CCC[C@H](Nc2ccnc3ccccc32)C1 ZINC000382460032 397951470 /nfs/dbraw/zinc/95/14/70/397951470.db2.gz URADUHFKVCDZGB-RYUDHWBXSA-N 1 3 241.338 2.339 20 0 BEADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000334458393 397924883 /nfs/dbraw/zinc/92/48/83/397924883.db2.gz QZCCCSLVJGHSCM-CQSZACIVSA-N 1 3 224.392 2.306 20 0 BEADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000334458393 397924887 /nfs/dbraw/zinc/92/48/87/397924887.db2.gz QZCCCSLVJGHSCM-CQSZACIVSA-N 1 3 224.392 2.306 20 0 BEADHO CSCC[C@@H](C)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000156882142 397926929 /nfs/dbraw/zinc/92/69/29/397926929.db2.gz SHEVVPZFANWOON-VXGBXAGGSA-N 1 3 230.421 2.059 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414817725 398042368 /nfs/dbraw/zinc/04/23/68/398042368.db2.gz BOJPSUKBSUYLNT-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)[C@H]1CCCNC1 ZINC000414853994 398062069 /nfs/dbraw/zinc/06/20/69/398062069.db2.gz LSHPHKKEOGPEBM-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000414858847 398065763 /nfs/dbraw/zinc/06/57/63/398065763.db2.gz SPZPIOXXLOHYNH-IHRRRGAJSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1cccs1 ZINC000389297139 398068893 /nfs/dbraw/zinc/06/88/93/398068893.db2.gz GZLDWBYAPUDLEI-BBBLOLIVSA-N 1 3 212.362 2.004 20 0 BEADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000313148079 398094854 /nfs/dbraw/zinc/09/48/54/398094854.db2.gz KCZRBEDUXQFOLH-XQLPTFJDSA-N 1 3 248.370 2.270 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccc(F)cc1 ZINC000414829694 398051009 /nfs/dbraw/zinc/05/10/09/398051009.db2.gz BHYOYGSMQPJXRL-NWDGAFQWSA-N 1 3 238.350 2.202 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000414829694 398051013 /nfs/dbraw/zinc/05/10/13/398051013.db2.gz BHYOYGSMQPJXRL-NWDGAFQWSA-N 1 3 238.350 2.202 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](N)c3ccccc32)[C@H](C)O1 ZINC000384635431 398100670 /nfs/dbraw/zinc/10/06/70/398100670.db2.gz RWCBCLWIBJTKBP-BUVBEKAXSA-N 1 3 246.354 2.287 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC1(F)F ZINC000390837724 398107603 /nfs/dbraw/zinc/10/76/03/398107603.db2.gz AOHDNFSZMCTOAU-DCAQKATOSA-N 1 3 232.318 2.139 20 0 BEADHO CSCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000229207815 398113040 /nfs/dbraw/zinc/11/30/40/398113040.db2.gz MSXDMBAIMLCMNU-NEPJUHHUSA-N 1 3 230.421 2.237 20 0 BEADHO CC(C)OCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000160050366 167243535 /nfs/dbraw/zinc/24/35/35/167243535.db2.gz VALGQLMYHBEMHX-ZIAGYGMSSA-N 1 3 242.407 2.312 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)CN1CCCC1 ZINC000086935924 487587396 /nfs/dbraw/zinc/58/73/96/487587396.db2.gz QNCZCNDCSNBKMN-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H](CN[C@@H]1CS[C@H](C)C1)C[NH+]1CCCC1 ZINC000086935924 487587399 /nfs/dbraw/zinc/58/73/99/487587399.db2.gz QNCZCNDCSNBKMN-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@@H](CC(F)F)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264458 409560633 /nfs/dbraw/zinc/56/06/33/409560633.db2.gz DHAXZANEWPIOHJ-WCQYABFASA-N 1 3 246.345 2.353 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662244504 409535763 /nfs/dbraw/zinc/53/57/63/409535763.db2.gz HUDMYJSGVJZGNW-AAEUAGOBSA-N 1 3 208.349 2.012 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662244504 409535767 /nfs/dbraw/zinc/53/57/67/409535767.db2.gz HUDMYJSGVJZGNW-AAEUAGOBSA-N 1 3 208.349 2.012 20 0 BEADHO CC1(C)CCCC[C@H]1C[N@@H+]1CC[C@@H](CN)C1 ZINC000662247742 409549237 /nfs/dbraw/zinc/54/92/37/409549237.db2.gz ZOBYZJRQMOZNMJ-STQMWFEESA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@H](CN)C1 ZINC000662247742 409549240 /nfs/dbraw/zinc/54/92/40/409549240.db2.gz ZOBYZJRQMOZNMJ-STQMWFEESA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1N ZINC000662270503 409572386 /nfs/dbraw/zinc/57/23/86/409572386.db2.gz LPMNQFBEHDFVSE-RGDJUOJXSA-N 1 3 222.376 2.092 20 0 BEADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1N ZINC000662270503 409572392 /nfs/dbraw/zinc/57/23/92/409572392.db2.gz LPMNQFBEHDFVSE-RGDJUOJXSA-N 1 3 222.376 2.092 20 0 BEADHO CO[C@H](CN1CCC(C)([NH3+])CC1)C1CCCC1 ZINC000662269832 409572875 /nfs/dbraw/zinc/57/28/75/409572875.db2.gz FSQJPLSYDHGXHM-CYBMUJFWSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@H]1CN(CCC=C(C)C)CC[C@@H]1[NH3+] ZINC000662269679 409573573 /nfs/dbraw/zinc/57/35/73/409573573.db2.gz CVFFTEVARRAWNN-STQMWFEESA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@H]1C[N@H+](CCC=C(C)C)CC[C@@H]1N ZINC000662269679 409573582 /nfs/dbraw/zinc/57/35/82/409573582.db2.gz CVFFTEVARRAWNN-STQMWFEESA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@H]1C[N@@H+](CCC=C(C)C)CC[C@@H]1N ZINC000662269679 409573591 /nfs/dbraw/zinc/57/35/91/409573591.db2.gz CVFFTEVARRAWNN-STQMWFEESA-N 1 3 210.365 2.402 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)CC1CCC1)CN(C)C ZINC000308911326 409938388 /nfs/dbraw/zinc/93/83/88/409938388.db2.gz MQQRUIKDLVGXBK-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H]1CCC[C@@H](CC[N@H+](C)CCCN)C1 ZINC000390477607 410024677 /nfs/dbraw/zinc/02/46/77/410024677.db2.gz LJEXWSGWVJYGOE-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCN)C1 ZINC000390477607 410024684 /nfs/dbraw/zinc/02/46/84/410024684.db2.gz LJEXWSGWVJYGOE-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H]1CCC[C@@H](CCN(C)CCC[NH3+])C1 ZINC000390477607 410024690 /nfs/dbraw/zinc/02/46/90/410024690.db2.gz LJEXWSGWVJYGOE-STQMWFEESA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663498173 410275530 /nfs/dbraw/zinc/27/55/30/410275530.db2.gz MXYQVADCMJXFLP-DKNRTOFZSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498173 410275536 /nfs/dbraw/zinc/27/55/36/410275536.db2.gz MXYQVADCMJXFLP-DKNRTOFZSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663498182 410276515 /nfs/dbraw/zinc/27/65/15/410276515.db2.gz MXYQVADCMJXFLP-YIFLHPOLSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663498182 410276522 /nfs/dbraw/zinc/27/65/22/410276522.db2.gz MXYQVADCMJXFLP-YIFLHPOLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1C[C@H]([NH2+]Cc2cccc3c2CCC3)CCN1 ZINC000650703501 410332656 /nfs/dbraw/zinc/33/26/56/410332656.db2.gz CEIRMDPHZPCIQL-SWLSCSKDSA-N 1 3 244.382 2.405 20 0 BEADHO c1cc2c(c(C[NH2+]C3CCNCC3)c1)CCC2 ZINC000650703743 410335227 /nfs/dbraw/zinc/33/52/27/410335227.db2.gz PWFDCZQPBHVDIA-UHFFFAOYSA-N 1 3 230.355 2.017 20 0 BEADHO CC[C@H](OCCNCCC[NH3+])c1ccccc1 ZINC000650710365 410339641 /nfs/dbraw/zinc/33/96/41/410339641.db2.gz NTYAYDQCNRZOAW-AWEZNQCLSA-N 1 3 236.359 2.093 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000650711702 410339938 /nfs/dbraw/zinc/33/99/38/410339938.db2.gz AKWPUORCABKCGS-FDYHWXHSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000650711702 410339944 /nfs/dbraw/zinc/33/99/44/410339944.db2.gz AKWPUORCABKCGS-FDYHWXHSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000650711705 410340410 /nfs/dbraw/zinc/34/04/10/410340410.db2.gz AKWPUORCABKCGS-UMSGYPCISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000650711705 410340419 /nfs/dbraw/zinc/34/04/19/410340419.db2.gz AKWPUORCABKCGS-UMSGYPCISA-N 1 3 210.365 2.092 20 0 BEADHO Cc1cc([C@@H](C)NCCC2CC[NH2+]CC2)no1 ZINC000650762802 410412324 /nfs/dbraw/zinc/41/23/24/410412324.db2.gz KVMHIARONNRKRJ-LLVKDONJSA-N 1 3 237.347 2.023 20 0 BEADHO CO[C@@H](CN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000393283936 410673337 /nfs/dbraw/zinc/67/33/37/410673337.db2.gz BRSKJNDFRBRNLL-GJZGRUSLSA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@@H](C[N@@H+]1CC[C@@](C)(CN)C1)c1ccccc1 ZINC000393283936 410673343 /nfs/dbraw/zinc/67/33/43/410673343.db2.gz BRSKJNDFRBRNLL-GJZGRUSLSA-N 1 3 248.370 2.045 20 0 BEADHO CO[C@@H](C[N@H+]1CC[C@@](C)(CN)C1)c1ccccc1 ZINC000393283936 410673349 /nfs/dbraw/zinc/67/33/49/410673349.db2.gz BRSKJNDFRBRNLL-GJZGRUSLSA-N 1 3 248.370 2.045 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665274023 410743585 /nfs/dbraw/zinc/74/35/85/410743585.db2.gz ICUJSGBQJRROHZ-LXTVHRRPSA-N 1 3 230.355 2.402 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@H](C)C[NH2+]C ZINC000665296794 410814580 /nfs/dbraw/zinc/81/45/80/410814580.db2.gz XXEGZCPAEXCSSG-LPWJVIDDSA-N 1 3 212.381 2.399 20 0 BEADHO CC(C)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000033465877 167118252 /nfs/dbraw/zinc/11/82/52/167118252.db2.gz SOCVLZSPWCMQPV-UHFFFAOYSA-N 1 3 236.359 2.125 20 0 BEADHO CC(C)OC[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000337337567 167264801 /nfs/dbraw/zinc/26/48/01/167264801.db2.gz MZNRRAAMIQVYAV-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000337337567 167264808 /nfs/dbraw/zinc/26/48/08/167264808.db2.gz MZNRRAAMIQVYAV-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)SCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304325760 167333448 /nfs/dbraw/zinc/33/34/48/167333448.db2.gz SVLFBSJFILVEQY-STQMWFEESA-N 1 3 242.432 2.344 20 0 BEADHO CC(C)SCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304325760 167333451 /nfs/dbraw/zinc/33/34/51/167333451.db2.gz SVLFBSJFILVEQY-STQMWFEESA-N 1 3 242.432 2.344 20 0 BEADHO CCC1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000310013060 410996790 /nfs/dbraw/zinc/99/67/90/410996790.db2.gz JMTKCPPXYJJJGY-HHTDUIENSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000310013060 410996795 /nfs/dbraw/zinc/99/67/95/410996795.db2.gz JMTKCPPXYJJJGY-HHTDUIENSA-N 1 3 222.376 2.391 20 0 BEADHO CCC1CC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000310013060 410996799 /nfs/dbraw/zinc/99/67/99/410996799.db2.gz JMTKCPPXYJJJGY-HHTDUIENSA-N 1 3 222.376 2.391 20 0 BEADHO Cc1c[nH+]ccc1N(C)CCN1CCCCC1 ZINC000651477721 411059527 /nfs/dbraw/zinc/05/95/27/411059527.db2.gz HDTAQULVNAUZAI-UHFFFAOYSA-N 1 3 233.359 2.312 20 0 BEADHO CCC[C@H](C)[NH2+]CCCN(CC)CC ZINC000019943331 411074913 /nfs/dbraw/zinc/07/49/13/411074913.db2.gz SVOGMUHIAJNUPU-LBPRGKRZSA-N 1 3 200.370 2.497 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000651864704 411147997 /nfs/dbraw/zinc/14/79/97/411147997.db2.gz BCUGSUZRCUOKDO-MGPQQGTHSA-N 1 3 242.407 2.120 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@H](C)CN(C)C ZINC000652201032 411171296 /nfs/dbraw/zinc/17/12/96/411171296.db2.gz RFWRLBNXXAWREZ-STQMWFEESA-N 1 3 244.423 2.225 20 0 BEADHO COC(C)(C)[C@H](C)NCCC[N@H+](C)CC(C)C ZINC000652222380 411175410 /nfs/dbraw/zinc/17/54/10/411175410.db2.gz MTFKSSAOYZYKTB-ZDUSSCGKSA-N 1 3 244.423 2.367 20 0 BEADHO COC(C)(C)[C@H](C)NCCC[N@@H+](C)CC(C)C ZINC000652222380 411175412 /nfs/dbraw/zinc/17/54/12/411175412.db2.gz MTFKSSAOYZYKTB-ZDUSSCGKSA-N 1 3 244.423 2.367 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652222380 411175416 /nfs/dbraw/zinc/17/54/16/411175416.db2.gz MTFKSSAOYZYKTB-ZDUSSCGKSA-N 1 3 244.423 2.367 20 0 BEADHO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)n1 ZINC000656199178 411202053 /nfs/dbraw/zinc/20/20/53/411202053.db2.gz VIVVZQHGILHZEK-DZGCQCFKSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccc(CCCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656199178 411202056 /nfs/dbraw/zinc/20/20/56/411202056.db2.gz VIVVZQHGILHZEK-DZGCQCFKSA-N 1 3 247.386 2.182 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCOC2CCCC2)C1 ZINC000656197214 411203301 /nfs/dbraw/zinc/20/33/01/411203301.db2.gz PMICIMVXDRFVPL-OLZOCXBDSA-N 1 3 240.391 2.195 20 0 BEADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000656200339 411204874 /nfs/dbraw/zinc/20/48/74/411204874.db2.gz LWEFXWQHSMUTQS-ZIAGYGMSSA-N 1 3 247.386 2.100 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C1CNC1 ZINC000656201958 411207853 /nfs/dbraw/zinc/20/78/53/411207853.db2.gz VUEKZNURSFHTJN-VHSXEESVSA-N 1 3 246.345 2.398 20 0 BEADHO C[C@@H]1CCC[N@H+](Cc2cccc(N)c2)[C@H]1CCN ZINC000652356107 411215610 /nfs/dbraw/zinc/21/56/10/411215610.db2.gz SCDOEEXXZNIFLV-DOMZBBRYSA-N 1 3 247.386 2.218 20 0 BEADHO C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@H]1CCN ZINC000652356107 411215614 /nfs/dbraw/zinc/21/56/14/411215614.db2.gz SCDOEEXXZNIFLV-DOMZBBRYSA-N 1 3 247.386 2.218 20 0 BEADHO COCCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCC1 ZINC000422884478 411233145 /nfs/dbraw/zinc/23/31/45/411233145.db2.gz DXKFNOUQVREURF-CHWSQXEVSA-N 1 3 242.407 2.299 20 0 BEADHO CC1(C)[C@@H](NCC[NH3+])C[C@H]1c1ccccc1 ZINC000423193553 411237804 /nfs/dbraw/zinc/23/78/04/411237804.db2.gz WXJYNSOKTURFCQ-STQMWFEESA-N 1 3 218.344 2.117 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+]CCCN2CCCC2)CS1 ZINC000655694862 411239888 /nfs/dbraw/zinc/23/98/88/411239888.db2.gz HUFTVEBDYQFHOE-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@H]1CC[C@@H](NCCC[NH+]2CCCC2)CS1 ZINC000655694862 411239891 /nfs/dbraw/zinc/23/98/91/411239891.db2.gz HUFTVEBDYQFHOE-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO CCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000309850075 411276786 /nfs/dbraw/zinc/27/67/86/411276786.db2.gz XDPQUQIQMAMKEC-UHFFFAOYSA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402753210 411310983 /nfs/dbraw/zinc/31/09/83/411310983.db2.gz DCSPJJYJFBGFER-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO CCC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402753210 411310985 /nfs/dbraw/zinc/31/09/85/411310985.db2.gz DCSPJJYJFBGFER-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1F ZINC000424388027 411249627 /nfs/dbraw/zinc/24/96/27/411249627.db2.gz YYKQYGIPEYAWLY-ZIAGYGMSSA-N 1 3 236.334 2.494 20 0 BEADHO [NH3+]C1(CN[C@@H]2CCc3ccccc3C2)CCCC1 ZINC000656789681 411369942 /nfs/dbraw/zinc/36/99/42/411369942.db2.gz VFHDCAIZDWBXJP-OAHLLOKOSA-N 1 3 244.382 2.405 20 0 BEADHO CC1=CC[N@H+](CC[C@H]2CCCN2C)CC1 ZINC000336556113 168112217 /nfs/dbraw/zinc/11/22/17/168112217.db2.gz GRBGCABHJAPBNU-CYBMUJFWSA-N 1 3 208.349 2.123 20 0 BEADHO CC1=CC[N@@H+](CC[C@H]2CCCN2C)CC1 ZINC000336556113 168112220 /nfs/dbraw/zinc/11/22/20/168112220.db2.gz GRBGCABHJAPBNU-CYBMUJFWSA-N 1 3 208.349 2.123 20 0 BEADHO CC1=CC[N@H+](CC[C@@H]2CCCN2C)CC1 ZINC000336556114 168112496 /nfs/dbraw/zinc/11/24/96/168112496.db2.gz GRBGCABHJAPBNU-ZDUSSCGKSA-N 1 3 208.349 2.123 20 0 BEADHO CC1=CC[N@@H+](CC[C@@H]2CCCN2C)CC1 ZINC000336556114 168112499 /nfs/dbraw/zinc/11/24/99/168112499.db2.gz GRBGCABHJAPBNU-ZDUSSCGKSA-N 1 3 208.349 2.123 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)[C@H]1CCN ZINC000404492788 411398959 /nfs/dbraw/zinc/39/89/59/411398959.db2.gz CMFFBBHWJIJEJW-UPJWGTAASA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)[C@H]1CCN ZINC000404492788 411398960 /nfs/dbraw/zinc/39/89/60/411398960.db2.gz CMFFBBHWJIJEJW-UPJWGTAASA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)[C@H]1CCN ZINC000404492785 411399216 /nfs/dbraw/zinc/39/92/16/411399216.db2.gz CMFFBBHWJIJEJW-AGIUHOORSA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)[C@H]1CCN ZINC000404492785 411399219 /nfs/dbraw/zinc/39/92/19/411399219.db2.gz CMFFBBHWJIJEJW-AGIUHOORSA-N 1 3 242.432 2.189 20 0 BEADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880766 411411236 /nfs/dbraw/zinc/41/12/36/411411236.db2.gz FVQYXAYFJZRMOH-KGLIPLIRSA-N 1 3 244.382 2.258 20 0 BEADHO CCO[C@@H]1CN([C@@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405471223 411431097 /nfs/dbraw/zinc/43/10/97/411431097.db2.gz UXGPQVROZNPOAS-NWANDNLSSA-N 1 3 248.370 2.043 20 0 BEADHO CCO[C@@H]1CN([C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405471220 411431233 /nfs/dbraw/zinc/43/12/33/411431233.db2.gz UXGPQVROZNPOAS-BPLDGKMQSA-N 1 3 248.370 2.043 20 0 BEADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)c(C)c1 ZINC000415003691 411482557 /nfs/dbraw/zinc/48/25/57/411482557.db2.gz GKHYTSNAFJDDLL-NEPJUHHUSA-N 1 3 206.333 2.129 20 0 BEADHO C[NH+](C)C[C@H]1CCN(CCCC2CCC2)C1 ZINC000659927379 411499874 /nfs/dbraw/zinc/49/98/74/411499874.db2.gz QDFDQBYIIFWQOO-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000342136579 411505555 /nfs/dbraw/zinc/50/55/55/411505555.db2.gz ONTVBDKWPRYRNH-UHFFFAOYSA-N 1 3 218.344 2.220 20 0 BEADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000336773920 169974256 /nfs/dbraw/zinc/97/42/56/169974256.db2.gz WLNLAMAGYRFKIQ-CHWSQXEVSA-N 1 3 242.432 2.061 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000655806905 411520234 /nfs/dbraw/zinc/52/02/34/411520234.db2.gz DIUILBUVPCFWHZ-UTUOFQBUSA-N 1 3 222.332 2.270 20 0 BEADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccccc2F)C1 ZINC000655826378 411529720 /nfs/dbraw/zinc/52/97/20/411529720.db2.gz UQBZGFBAHZFSBF-BJHJDKERSA-N 1 3 236.334 2.256 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484205 170007397 /nfs/dbraw/zinc/00/73/97/170007397.db2.gz YDBSZXYECNMITE-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cncc(C)c2)C1 ZINC000184285032 170008407 /nfs/dbraw/zinc/00/84/07/170008407.db2.gz UQXLZRBTYBDKIQ-KBPBESRZSA-N 1 3 247.386 2.382 20 0 BEADHO CCN1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000037484204 170015970 /nfs/dbraw/zinc/01/59/70/170015970.db2.gz YDBSZXYECNMITE-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccsc2C)C1 ZINC000293726437 170017151 /nfs/dbraw/zinc/01/71/51/170017151.db2.gz YWHGABBKOFQLDE-GFCCVEGCSA-N 1 3 238.400 2.488 20 0 BEADHO CC[N@@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@@H](C)C1 ZINC000336779647 170022532 /nfs/dbraw/zinc/02/25/32/170022532.db2.gz PABRWJZNXNEKRN-SRVKXCTJSA-N 1 3 242.432 2.200 20 0 BEADHO CC[N@H+]1CC[C@H](N[C@H]2CSC2(C)C)[C@@H](C)C1 ZINC000336779647 170022535 /nfs/dbraw/zinc/02/25/35/170022535.db2.gz PABRWJZNXNEKRN-SRVKXCTJSA-N 1 3 242.432 2.200 20 0 BEADHO c1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)co1 ZINC000657653332 411570727 /nfs/dbraw/zinc/57/07/27/411570727.db2.gz JJZJZAPHNIFSGK-UONOGXRCSA-N 1 3 234.343 2.039 20 0 BEADHO c1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)co1 ZINC000657653332 411570728 /nfs/dbraw/zinc/57/07/28/411570728.db2.gz JJZJZAPHNIFSGK-UONOGXRCSA-N 1 3 234.343 2.039 20 0 BEADHO CC1(C)C[C@]1(C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657761396 411591477 /nfs/dbraw/zinc/59/14/77/411591477.db2.gz KAOBNEKQXWUZLL-OBJOEFQTSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657761396 411591478 /nfs/dbraw/zinc/59/14/78/411591478.db2.gz KAOBNEKQXWUZLL-OBJOEFQTSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000657761396 411591480 /nfs/dbraw/zinc/59/14/80/411591480.db2.gz KAOBNEKQXWUZLL-OBJOEFQTSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657761397 411591638 /nfs/dbraw/zinc/59/16/38/411591638.db2.gz KAOBNEKQXWUZLL-SCRDCRAPSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657761397 411591640 /nfs/dbraw/zinc/59/16/40/411591640.db2.gz KAOBNEKQXWUZLL-SCRDCRAPSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)C[C@]1(C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000657761397 411591643 /nfs/dbraw/zinc/59/16/43/411591643.db2.gz KAOBNEKQXWUZLL-SCRDCRAPSA-N 1 3 222.376 2.391 20 0 BEADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCF)C2 ZINC000660665136 411615873 /nfs/dbraw/zinc/61/58/73/411615873.db2.gz URKDKPSJZRPULA-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCF)C2 ZINC000660665136 411615874 /nfs/dbraw/zinc/61/58/74/411615874.db2.gz URKDKPSJZRPULA-CYBMUJFWSA-N 1 3 228.355 2.154 20 0 BEADHO Cc1ccccc1C[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000663497072 411678892 /nfs/dbraw/zinc/67/88/92/411678892.db2.gz BBSCUVKERYKDQZ-HLIUYOAVSA-N 1 3 244.382 2.268 20 0 BEADHO CC[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497774 411679612 /nfs/dbraw/zinc/67/96/12/411679612.db2.gz JVPPRTLRGUKHNS-RJZJGCCBSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497774 411679617 /nfs/dbraw/zinc/67/96/17/411679617.db2.gz JVPPRTLRGUKHNS-RJZJGCCBSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497771 411680000 /nfs/dbraw/zinc/68/00/00/411680000.db2.gz JVPPRTLRGUKHNS-NELGMTEASA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497771 411680003 /nfs/dbraw/zinc/68/00/03/411680003.db2.gz JVPPRTLRGUKHNS-NELGMTEASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)CN3)C[C@@H]1C ZINC000663498143 411681591 /nfs/dbraw/zinc/68/15/91/411681591.db2.gz MHYQOJRPTLDHSS-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000663498143 411681594 /nfs/dbraw/zinc/68/15/94/411681594.db2.gz MHYQOJRPTLDHSS-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C12CC(C1)CN2 ZINC000663498570 411681643 /nfs/dbraw/zinc/68/16/43/411681643.db2.gz QENBSCXGIGXVPI-INTODGSJSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@@H]1CCC[C@@H](C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000663498570 411681647 /nfs/dbraw/zinc/68/16/47/411681647.db2.gz QENBSCXGIGXVPI-INTODGSJSA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@]1(CN2CCC[C@H](C3CCC3)C2)CC[NH2+]C1 ZINC000663499125 411682200 /nfs/dbraw/zinc/68/22/00/411682200.db2.gz ATONQDZBJMPTJG-LSDHHAIUSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H](C[NH2+]CC12CC(C1)CN2)c1ccc(F)cc1 ZINC000663500821 411684072 /nfs/dbraw/zinc/68/40/72/411684072.db2.gz OYFVIFMMNHGTCN-XIKARTHZSA-N 1 3 248.345 2.271 20 0 BEADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660933312 411684182 /nfs/dbraw/zinc/68/41/82/411684182.db2.gz OQPIICOSEABOCN-MJBXVCDLSA-N 1 3 222.376 2.345 20 0 BEADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660933312 411684185 /nfs/dbraw/zinc/68/41/85/411684185.db2.gz OQPIICOSEABOCN-MJBXVCDLSA-N 1 3 222.376 2.345 20 0 BEADHO COc1cccc(C2(NCCC[NH3+])CCC2)c1 ZINC000663503900 411688648 /nfs/dbraw/zinc/68/86/48/411688648.db2.gz SMGCAOXDKQUHQE-UHFFFAOYSA-N 1 3 234.343 2.013 20 0 BEADHO C[NH2+]C[C@@H](C)NC[C@H]1CCCC(C)(C)C1 ZINC000663508779 411690191 /nfs/dbraw/zinc/69/01/91/411690191.db2.gz DKTRKYZICCPUJJ-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000663509286 411691879 /nfs/dbraw/zinc/69/18/79/411691879.db2.gz IQJWPNRHMBRXDP-UHTWSYAYSA-N 1 3 210.365 2.153 20 0 BEADHO C[NH2+]C[C@H](C)NCCCCOc1ccccc1 ZINC000663512280 411695510 /nfs/dbraw/zinc/69/55/10/411695510.db2.gz FZMVLBZWWVCBDE-ZDUSSCGKSA-N 1 3 236.359 2.043 20 0 BEADHO C[NH+](C)[C@H](CNc1nccc2[nH]ccc21)C1CC1 ZINC000663548473 411702811 /nfs/dbraw/zinc/70/28/11/411702811.db2.gz RCRIILYGEQCIRH-CYBMUJFWSA-N 1 3 244.342 2.315 20 0 BEADHO CCN1CCN(c2[nH+]ccc3[nH]ccc32)[C@@H](C)C1 ZINC000663905145 411770475 /nfs/dbraw/zinc/77/04/75/411770475.db2.gz PUFCOPNJFNIBTH-NSHDSACASA-N 1 3 244.342 2.093 20 0 BEADHO Cc1c[nH+]ccc1NC[C@@H]1CCN1C(C)(C)C ZINC000664142382 411870081 /nfs/dbraw/zinc/87/00/81/411870081.db2.gz JHBRCGLKHSDDDQ-LBPRGKRZSA-N 1 3 233.359 2.097 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[NH2+]C)C1 ZINC000662244106 412039065 /nfs/dbraw/zinc/03/90/65/412039065.db2.gz BUEQYIWFVWSILS-MNOVXSKESA-N 1 3 234.334 2.209 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336748835 171042291 /nfs/dbraw/zinc/04/22/91/171042291.db2.gz CZUGPKNMFGWKBC-OLZOCXBDSA-N 1 3 208.349 2.027 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000309612751 171045752 /nfs/dbraw/zinc/04/57/52/171045752.db2.gz AQWVQYUFZYSFPU-SYQHCUMBSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309612751 171045756 /nfs/dbraw/zinc/04/57/56/171045756.db2.gz AQWVQYUFZYSFPU-SYQHCUMBSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309612751 171045758 /nfs/dbraw/zinc/04/57/58/171045758.db2.gz AQWVQYUFZYSFPU-SYQHCUMBSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1CN ZINC000662280466 412071148 /nfs/dbraw/zinc/07/11/48/412071148.db2.gz FBDDGEJABNCNTD-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1CN ZINC000662280466 412071150 /nfs/dbraw/zinc/07/11/50/412071150.db2.gz FBDDGEJABNCNTD-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H]1CCN(CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662280466 412071152 /nfs/dbraw/zinc/07/11/52/412071152.db2.gz FBDDGEJABNCNTD-GXTWGEPZSA-N 1 3 224.392 2.483 20 0 BEADHO CC(C)=CCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000662282665 412073187 /nfs/dbraw/zinc/07/31/87/412073187.db2.gz PRRMRGUIPJKGAF-QWHCGFSZSA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000662282665 412073188 /nfs/dbraw/zinc/07/31/88/412073188.db2.gz PRRMRGUIPJKGAF-QWHCGFSZSA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662282665 412073191 /nfs/dbraw/zinc/07/31/91/412073191.db2.gz PRRMRGUIPJKGAF-QWHCGFSZSA-N 1 3 210.365 2.259 20 0 BEADHO CO[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000662283075 412074261 /nfs/dbraw/zinc/07/42/61/412074261.db2.gz KIRVDLRDRTVVLY-MGPQQGTHSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000662282904 412076046 /nfs/dbraw/zinc/07/60/46/412076046.db2.gz DGAUQYCKLCWKPF-AXFHLTTASA-N 1 3 234.334 2.479 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335619801 171282500 /nfs/dbraw/zinc/28/25/00/171282500.db2.gz NASYOPGEMZCVST-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335619801 171282501 /nfs/dbraw/zinc/28/25/01/171282501.db2.gz NASYOPGEMZCVST-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071318 171284579 /nfs/dbraw/zinc/28/45/79/171284579.db2.gz WFBMQJABEYOHOQ-QWHCGFSZSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H](N)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000662298254 412085270 /nfs/dbraw/zinc/08/52/70/412085270.db2.gz ASVSNKWFICQVML-LBPRGKRZSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@H](N)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662298254 412085274 /nfs/dbraw/zinc/08/52/74/412085274.db2.gz ASVSNKWFICQVML-LBPRGKRZSA-N 1 3 210.365 2.380 20 0 BEADHO C[NH2+]CCCN1CCC[C@H](c2ccccc2)C1 ZINC000662284859 412078446 /nfs/dbraw/zinc/07/84/46/412078446.db2.gz QDBKRAXRLMYGHP-HNNXBMFYSA-N 1 3 232.371 2.476 20 0 BEADHO COCCNC1CC[NH+](CCC=C(C)C)CC1 ZINC000662287125 412080562 /nfs/dbraw/zinc/08/05/62/412080562.db2.gz WGZXIODZNLEGJJ-UHFFFAOYSA-N 1 3 240.391 2.043 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)OC ZINC000362974751 171392945 /nfs/dbraw/zinc/39/29/45/171392945.db2.gz BPWJVYBYVPLZIE-DGAVXFQQSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]([NH3+])CN1CC[C@H](C2CCCCC2)C1 ZINC000662305364 412090662 /nfs/dbraw/zinc/09/06/62/412090662.db2.gz GFAUVCRMZADUSQ-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C([C@H]1CC[NH2+]C1)N1CCC[C@H](C2CCC2)C1 ZINC000662317797 412098411 /nfs/dbraw/zinc/09/84/11/412098411.db2.gz SRCKECZRBKKNOH-JSGCOSHPSA-N 1 3 222.376 2.108 20 0 BEADHO C([C@H]1CC[NH2+]C1)N1CCC[C@@H](C2CCC2)C1 ZINC000662317796 412098430 /nfs/dbraw/zinc/09/84/30/412098430.db2.gz SRCKECZRBKKNOH-GXTWGEPZSA-N 1 3 222.376 2.108 20 0 BEADHO CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCc2ccccc21 ZINC000662322547 412099744 /nfs/dbraw/zinc/09/97/44/412099744.db2.gz NAFDBNYXEDMZFS-UKRRQHHQSA-N 1 3 244.382 2.258 20 0 BEADHO CC[C@H](COCC1CC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000665236511 412175848 /nfs/dbraw/zinc/17/58/48/412175848.db2.gz OIVGIZYCBDEIEF-BFHYXJOUSA-N 1 3 240.391 2.051 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237452 412177912 /nfs/dbraw/zinc/17/79/12/412177912.db2.gz BGPPMHDJBOWDSY-QWHCGFSZSA-N 1 3 230.311 2.402 20 0 BEADHO CC[C@H](C)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000665238195 412179224 /nfs/dbraw/zinc/17/92/24/412179224.db2.gz SVKKCHKVNNVKOY-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H]([NH2+]CC1C[C@H](C)C[C@@H](C)C1)C1CNC1 ZINC000665239612 412179568 /nfs/dbraw/zinc/17/95/68/412179568.db2.gz VVVMQMFFYUQQIS-UTUOFQBUSA-N 1 3 224.392 2.256 20 0 BEADHO [NH3+]C1(CN[C@H]2CCC23CCC3)CCCC1 ZINC000665246368 412190795 /nfs/dbraw/zinc/19/07/95/412190795.db2.gz CTYDJGMRQWYLTL-NSHDSACASA-N 1 3 208.349 2.180 20 0 BEADHO CC(C)(F)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000665261681 412203324 /nfs/dbraw/zinc/20/33/24/412203324.db2.gz JJTQZOQETHYUIR-MNOVXSKESA-N 1 3 216.344 2.232 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])O1 ZINC000665264650 412207088 /nfs/dbraw/zinc/20/70/88/412207088.db2.gz FLQUQBLQPUOMLF-AAVRWANBSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])O1 ZINC000665264653 412207639 /nfs/dbraw/zinc/20/76/39/412207639.db2.gz FLQUQBLQPUOMLF-YIYPIFLZSA-N 1 3 240.391 2.194 20 0 BEADHO C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCC1 ZINC000665267444 412210578 /nfs/dbraw/zinc/21/05/78/412210578.db2.gz WUKXXNRUOGDQCE-PBWFPOADSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1noc2ccccc12 ZINC000665231881 412170551 /nfs/dbraw/zinc/17/05/51/412170551.db2.gz ABCAZDPKJYFCDC-QWRGUYRKSA-N 1 3 247.342 2.086 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665231881 412170553 /nfs/dbraw/zinc/17/05/53/412170553.db2.gz ABCAZDPKJYFCDC-QWRGUYRKSA-N 1 3 247.342 2.086 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1C(C)(C)C1(F)F ZINC000665273816 412215861 /nfs/dbraw/zinc/21/58/61/412215861.db2.gz DRXQSZFSIMHKJJ-VWYCJHECSA-N 1 3 246.345 2.255 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000665273816 412215865 /nfs/dbraw/zinc/21/58/65/412215865.db2.gz DRXQSZFSIMHKJJ-VWYCJHECSA-N 1 3 246.345 2.255 20 0 BEADHO CO[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000665275765 412218467 /nfs/dbraw/zinc/21/84/67/412218467.db2.gz RCBRABSKMWWZFP-MELADBBJSA-N 1 3 240.391 2.051 20 0 BEADHO CC1(C)CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665278331 412221583 /nfs/dbraw/zinc/22/15/83/412221583.db2.gz BETDUBZTNVQTFD-LXVYMNJGSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000665278331 412221586 /nfs/dbraw/zinc/22/15/86/412221586.db2.gz BETDUBZTNVQTFD-LXVYMNJGSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279647 412223062 /nfs/dbraw/zinc/22/30/62/412223062.db2.gz IJEVFMARUQCIJN-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000665279647 412223063 /nfs/dbraw/zinc/22/30/63/412223063.db2.gz IJEVFMARUQCIJN-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](CC(C)(C)C)NCC12CC(C1)C[NH2+]2 ZINC000665279677 412223702 /nfs/dbraw/zinc/22/37/02/412223702.db2.gz JJNKDMBBPLOKNE-ZBOXLXRLSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CC(C)(C)C)[NH2+]CC12CC(C1)CN2 ZINC000665279677 412223704 /nfs/dbraw/zinc/22/37/04/412223704.db2.gz JJNKDMBBPLOKNE-ZBOXLXRLSA-N 1 3 210.365 2.153 20 0 BEADHO FCCC[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280060 412224578 /nfs/dbraw/zinc/22/45/78/412224578.db2.gz SBEFKJDMPIUPNG-DKNRTOFZSA-N 1 3 240.366 2.246 20 0 BEADHO FCCC[C@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665280060 412224581 /nfs/dbraw/zinc/22/45/81/412224581.db2.gz SBEFKJDMPIUPNG-DKNRTOFZSA-N 1 3 240.366 2.246 20 0 BEADHO COCC1CCC([NH2+]CC[C@@H](N)C(C)C)CC1 ZINC000665281456 412226007 /nfs/dbraw/zinc/22/60/07/412226007.db2.gz DAKCNMTZSOURPW-JXQTWKCFSA-N 1 3 242.407 2.155 20 0 BEADHO [NH3+][C@@H]1CCCCC[C@H]1NCCCc1ccco1 ZINC000665283653 412229454 /nfs/dbraw/zinc/22/94/54/412229454.db2.gz RRVRVOWFFBEYKQ-ZIAGYGMSSA-N 1 3 236.359 2.462 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)C1CCCCC1 ZINC000665283641 412229564 /nfs/dbraw/zinc/22/95/64/412229564.db2.gz RMVCEAHFWJBPHW-NWDGAFQWSA-N 1 3 224.392 2.400 20 0 BEADHO COc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1C ZINC000665294852 412241388 /nfs/dbraw/zinc/24/13/88/412241388.db2.gz XPGCKEHSDMXZON-JSGCOSHPSA-N 1 3 248.370 2.221 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)C1C(C)(C)C1(C)C ZINC000665296709 412244664 /nfs/dbraw/zinc/24/46/64/412244664.db2.gz WZMOHBPTTIPVBM-VHSXEESVSA-N 1 3 212.381 2.255 20 0 BEADHO CCCC[C@H](C)[C@H](C)N[C@@H](C)C[NH2+]C ZINC000665298326 412246413 /nfs/dbraw/zinc/24/64/13/412246413.db2.gz UWDGMWCUQCGJMZ-SRVKXCTJSA-N 1 3 200.370 2.399 20 0 BEADHO CCc1nc(CN[C@@H](C)CCCC[NH3+])cs1 ZINC000328164555 171987129 /nfs/dbraw/zinc/98/71/29/171987129.db2.gz WBQDWHSZLBPJQT-JTQLQIEISA-N 1 3 241.404 2.313 20 0 BEADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(F)F)CC1 ZINC000336678549 173027099 /nfs/dbraw/zinc/02/70/99/173027099.db2.gz BQIQSBVWFCLAJC-GFCCVEGCSA-N 1 3 246.345 2.448 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000367158583 173036305 /nfs/dbraw/zinc/03/63/05/173036305.db2.gz TVEVJMHEDBUNRN-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000367158583 173036306 /nfs/dbraw/zinc/03/63/06/173036306.db2.gz TVEVJMHEDBUNRN-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO CN1CCC[C@H](C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000092253835 173041913 /nfs/dbraw/zinc/04/19/13/173041913.db2.gz UIFCLCPHBLAKNX-AWEZNQCLSA-N 1 3 248.370 2.166 20 0 BEADHO CN1CCC[C@H](C[N@@H+](C)Cc2cccc(O)c2)C1 ZINC000092253835 173041916 /nfs/dbraw/zinc/04/19/16/173041916.db2.gz UIFCLCPHBLAKNX-AWEZNQCLSA-N 1 3 248.370 2.166 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@H]21 ZINC000340525611 173155070 /nfs/dbraw/zinc/15/50/70/173155070.db2.gz WVMNOXKPDVJCNZ-QSLWVIQJSA-N 1 3 240.366 2.339 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@H]21 ZINC000340525611 173155072 /nfs/dbraw/zinc/15/50/72/173155072.db2.gz WVMNOXKPDVJCNZ-QSLWVIQJSA-N 1 3 240.366 2.339 20 0 BEADHO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2F)[C@@H]2CCC[C@H]21 ZINC000340525611 173155074 /nfs/dbraw/zinc/15/50/74/173155074.db2.gz WVMNOXKPDVJCNZ-QSLWVIQJSA-N 1 3 240.366 2.339 20 0 BEADHO CNC1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000042864251 173322888 /nfs/dbraw/zinc/32/28/88/173322888.db2.gz SGTDZEQRHDGHTK-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000042864251 173322889 /nfs/dbraw/zinc/32/28/89/173322889.db2.gz SGTDZEQRHDGHTK-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000070188877 173342954 /nfs/dbraw/zinc/34/29/54/173342954.db2.gz QKPOKHIBVZRRHM-ZDUSSCGKSA-N 1 3 247.386 2.464 20 0 BEADHO CNCCC[N@H+](C)C[C@@H](C)CC(C)C ZINC000300853046 173345786 /nfs/dbraw/zinc/34/57/86/173345786.db2.gz FOFNWCRBMMIDRO-LBPRGKRZSA-N 1 3 200.370 2.210 20 0 BEADHO CNCCC[N@@H+](C)C[C@@H](C)CC(C)C ZINC000300853046 173345787 /nfs/dbraw/zinc/34/57/87/173345787.db2.gz FOFNWCRBMMIDRO-LBPRGKRZSA-N 1 3 200.370 2.210 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H](C)CC(C)C ZINC000300853046 173345784 /nfs/dbraw/zinc/34/57/84/173345784.db2.gz FOFNWCRBMMIDRO-LBPRGKRZSA-N 1 3 200.370 2.210 20 0 BEADHO C[NH2+]C[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000226628833 173370821 /nfs/dbraw/zinc/37/08/21/173370821.db2.gz LZWHOWKJRAMZKN-STQMWFEESA-N 1 3 218.344 2.289 20 0 BEADHO CNC[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000063145790 173380814 /nfs/dbraw/zinc/38/08/14/173380814.db2.gz IKBLZEIVXOJSKB-JXQTWKCFSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000063145790 173380816 /nfs/dbraw/zinc/38/08/16/173380816.db2.gz IKBLZEIVXOJSKB-JXQTWKCFSA-N 1 3 224.392 2.354 20 0 BEADHO CCC1(CC)CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000087254652 487627137 /nfs/dbraw/zinc/62/71/37/487627137.db2.gz ZCWLKDLBLOQKIV-GFCCVEGCSA-N 1 3 210.365 2.108 20 0 BEADHO COCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000045037478 174382747 /nfs/dbraw/zinc/38/27/47/174382747.db2.gz ABVYPXZFGVKVDP-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1F ZINC000310540337 175188779 /nfs/dbraw/zinc/18/87/79/175188779.db2.gz SJWOBOJQRKOYRD-UWVGGRQHSA-N 1 3 240.322 2.080 20 0 BEADHO COc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214540 175267289 /nfs/dbraw/zinc/26/72/89/175267289.db2.gz SSJFJUWKCOAKFB-QWHCGFSZSA-N 1 3 234.343 2.055 20 0 BEADHO COc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000105480729 175268386 /nfs/dbraw/zinc/26/83/86/175268386.db2.gz ZGYKOAUGHLRSPA-WFASDCNBSA-N 1 3 248.370 2.125 20 0 BEADHO COc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000105480729 175268387 /nfs/dbraw/zinc/26/83/87/175268387.db2.gz ZGYKOAUGHLRSPA-WFASDCNBSA-N 1 3 248.370 2.125 20 0 BEADHO COc1ccccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000104436288 175325867 /nfs/dbraw/zinc/32/58/67/175325867.db2.gz KEHKQXOKYCRUHA-LBPRGKRZSA-N 1 3 248.370 2.254 20 0 BEADHO C[C@H](CN)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000309267709 175675727 /nfs/dbraw/zinc/67/57/27/175675727.db2.gz CKZSLDGNQVLIAJ-OLZOCXBDSA-N 1 3 220.360 2.365 20 0 BEADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccccn1 ZINC000227495460 175866663 /nfs/dbraw/zinc/86/66/63/175866663.db2.gz AISNCAHDJMUBRA-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCSC1 ZINC000019912919 176071833 /nfs/dbraw/zinc/07/18/33/176071833.db2.gz SMJFOKQZKVIBGJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCSC1 ZINC000019912919 176071835 /nfs/dbraw/zinc/07/18/35/176071835.db2.gz SMJFOKQZKVIBGJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCSC1 ZINC000019912919 176071836 /nfs/dbraw/zinc/07/18/36/176071836.db2.gz SMJFOKQZKVIBGJ-CHWSQXEVSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCNCC1 ZINC000042859663 176084780 /nfs/dbraw/zinc/08/47/80/176084780.db2.gz ZPZJICWFVVSSJU-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)[C@@H]1C ZINC000050564934 176100439 /nfs/dbraw/zinc/10/04/39/176100439.db2.gz HUHIKYFQIDCGHS-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)[C@@H]1C ZINC000050564934 176100441 /nfs/dbraw/zinc/10/04/41/176100441.db2.gz HUHIKYFQIDCGHS-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2CCNC2)C1 ZINC000251604798 176117215 /nfs/dbraw/zinc/11/72/15/176117215.db2.gz CUXNURRAYIXTJP-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](CN)C2)C1 ZINC000227573890 176117397 /nfs/dbraw/zinc/11/73/97/176117397.db2.gz KXQMSPQWDLBSJD-UPJWGTAASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](CN)C2)C1 ZINC000227573890 176117398 /nfs/dbraw/zinc/11/73/98/176117398.db2.gz KXQMSPQWDLBSJD-UPJWGTAASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H]2CCCNC2)C1 ZINC000251779854 176120704 /nfs/dbraw/zinc/12/07/04/176120704.db2.gz LCBANQWDZGQMCW-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H]2CCCNC2)C1 ZINC000251779854 176120705 /nfs/dbraw/zinc/12/07/05/176120705.db2.gz LCBANQWDZGQMCW-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCNC2)C[C@H]1C ZINC000251525169 176233386 /nfs/dbraw/zinc/23/33/86/176233386.db2.gz ACNARBXHXSZUKL-MQYQWHSLSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727264 176271576 /nfs/dbraw/zinc/27/15/76/176271576.db2.gz DKHHLQPHBFDWTM-OPRDCNLKSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)C(F)(F)F ZINC000309727264 176271577 /nfs/dbraw/zinc/27/15/77/176271577.db2.gz DKHHLQPHBFDWTM-OPRDCNLKSA-N 1 3 238.297 2.115 20 0 BEADHO C[C@@H]1CN(CCCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000300835338 176287398 /nfs/dbraw/zinc/28/73/98/176287398.db2.gz INTNPPMNVQNEMS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[N@H+](CCCC(C)(C)C)CC[C@@H]1N ZINC000300835338 176287399 /nfs/dbraw/zinc/28/73/99/176287399.db2.gz INTNPPMNVQNEMS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](CCCC(C)(C)C)CC[C@@H]1N ZINC000300835338 176287400 /nfs/dbraw/zinc/28/74/00/176287400.db2.gz INTNPPMNVQNEMS-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CN(CC2CCCCCC2)C[C@@H]1[NH3+] ZINC000235356269 176286643 /nfs/dbraw/zinc/28/66/43/176286643.db2.gz ZVRBWVXUAJALGW-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)[C@@H]1C ZINC000339583049 176289355 /nfs/dbraw/zinc/28/93/55/176289355.db2.gz RDMCLDLQNBUMSV-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)[C@@H]1C ZINC000339583049 176289357 /nfs/dbraw/zinc/28/93/57/176289357.db2.gz RDMCLDLQNBUMSV-CHWSQXEVSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC1CCCC1 ZINC000049713045 176370732 /nfs/dbraw/zinc/37/07/32/176370732.db2.gz OCGLWQCRBLRXMP-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCC1CCCC1 ZINC000049713045 176370733 /nfs/dbraw/zinc/37/07/33/176370733.db2.gz OCGLWQCRBLRXMP-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC1CCCC1 ZINC000049713045 176370734 /nfs/dbraw/zinc/37/07/34/176370734.db2.gz OCGLWQCRBLRXMP-YPMHNXCESA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725141 176376085 /nfs/dbraw/zinc/37/60/85/176376085.db2.gz BJZPSSJNMXEZCB-BBBLOLIVSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725141 176376087 /nfs/dbraw/zinc/37/60/87/176376087.db2.gz BJZPSSJNMXEZCB-BBBLOLIVSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@@H]1C[C@@H](NCc2ccccc2)CC[N@@H+]1C ZINC000073655699 176377470 /nfs/dbraw/zinc/37/74/70/176377470.db2.gz KZTLAVPYGULHBC-OCCSQVGLSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@@H]1C[C@@H](NCc2ccccc2)CC[N@H+]1C ZINC000073655699 176377472 /nfs/dbraw/zinc/37/74/72/176377472.db2.gz KZTLAVPYGULHBC-OCCSQVGLSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@@H]1C[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000228701066 176397371 /nfs/dbraw/zinc/39/73/71/176397371.db2.gz XTFLNGUQWDDFDI-DMTCVQMQSA-N 1 3 216.328 2.377 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCc2ccccc2C1)CN(C)C ZINC000291709195 176686229 /nfs/dbraw/zinc/68/62/29/176686229.db2.gz LBHIQBFSBLKSBP-CJNGLKHVSA-N 1 3 246.398 2.331 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCNC1 ZINC000019507011 177117836 /nfs/dbraw/zinc/11/78/36/177117836.db2.gz YTQFOZSUKFBQCQ-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCNC1 ZINC000019507011 177117837 /nfs/dbraw/zinc/11/78/37/177117837.db2.gz YTQFOZSUKFBQCQ-FRRDWIJNSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@H]1CC[N@H+](CCCCCF)C[C@@H]1CN ZINC000336695472 177160969 /nfs/dbraw/zinc/16/09/69/177160969.db2.gz NWIANVCSFZTACX-RYUDHWBXSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@H]1CC[N@@H+](CCCCCF)C[C@@H]1CN ZINC000336695472 177160970 /nfs/dbraw/zinc/16/09/70/177160970.db2.gz NWIANVCSFZTACX-RYUDHWBXSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@H]1CCN(CCCCCF)C[C@@H]1C[NH3+] ZINC000336695472 177160971 /nfs/dbraw/zinc/16/09/71/177160971.db2.gz NWIANVCSFZTACX-RYUDHWBXSA-N 1 3 216.344 2.043 20 0 BEADHO C[C@H]1CC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000309105910 177204742 /nfs/dbraw/zinc/20/47/42/177204742.db2.gz HWKXDEILZBQEHM-AAEUAGOBSA-N 1 3 208.349 2.027 20 0 BEADHO C[C@H]1C[N@H+](CCCN2CCCCC2)[C@H]1C ZINC000339583053 177249711 /nfs/dbraw/zinc/24/97/11/177249711.db2.gz RDMCLDLQNBUMSV-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H]1C[N@@H+](CCCN2CCCCC2)[C@H]1C ZINC000339583053 177249713 /nfs/dbraw/zinc/24/97/13/177249713.db2.gz RDMCLDLQNBUMSV-STQMWFEESA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H]1CN(CCc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049708187 177254871 /nfs/dbraw/zinc/25/48/71/177254871.db2.gz LKJRAQRTOSXBCU-FZMZJTMJSA-N 1 3 236.334 2.037 20 0 BEADHO C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)CN1CCCC1 ZINC000309346837 177331880 /nfs/dbraw/zinc/33/18/80/177331880.db2.gz MJJFXJNICYTMFC-ZOBORPQBSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H]1C[C@H]1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000336749560 177380855 /nfs/dbraw/zinc/38/08/55/177380855.db2.gz UDHZSZJALGGDAS-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1C[C@@H]1C ZINC000224245824 177386129 /nfs/dbraw/zinc/38/61/29/177386129.db2.gz PZSZSXXNEMHNQU-QNWHQSFQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([N@H+](C)C[C@@H]1CCCNC1)C1(C)CC1 ZINC000226439200 487640095 /nfs/dbraw/zinc/64/00/95/487640095.db2.gz CURNQZUKQFPNCM-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]([N@@H+](C)C[C@@H]1CCCNC1)C1(C)CC1 ZINC000226439200 487640098 /nfs/dbraw/zinc/64/00/98/487640098.db2.gz CURNQZUKQFPNCM-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000488352452 225383440 /nfs/dbraw/zinc/38/34/40/225383440.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352452 225383442 /nfs/dbraw/zinc/38/34/42/225383442.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000488352452 225383446 /nfs/dbraw/zinc/38/34/46/225383446.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000488352452 225383449 /nfs/dbraw/zinc/38/34/49/225383449.db2.gz NVTPFPNJCWPNTO-BPLDGKMQSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@H](N[C@H]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400368645 226342196 /nfs/dbraw/zinc/34/21/96/226342196.db2.gz GAMKZSUXASMUTL-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)[C@@H]1CCCN1 ZINC000400368645 226342197 /nfs/dbraw/zinc/34/21/97/226342197.db2.gz GAMKZSUXASMUTL-VOAKCMCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H](NC[C@H]1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400678493 226348944 /nfs/dbraw/zinc/34/89/44/226348944.db2.gz WGIWZWNGRBSHMD-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCC[C@H]1C)[C@H]1CCCN1 ZINC000400678493 226348945 /nfs/dbraw/zinc/34/89/45/226348945.db2.gz WGIWZWNGRBSHMD-FDYHWXHSSA-N 1 3 210.365 2.153 20 0 BEADHO CC1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000232802517 487657866 /nfs/dbraw/zinc/65/78/66/487657866.db2.gz XMIYQMDTPXGKOS-WXRRBKDZSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000145849225 487669794 /nfs/dbraw/zinc/66/97/94/487669794.db2.gz FZPAYWUOHYVFTL-UHFFFAOYSA-N 1 3 219.332 2.002 20 0 BEADHO CC(C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000145849225 487669803 /nfs/dbraw/zinc/66/98/03/487669803.db2.gz FZPAYWUOHYVFTL-UHFFFAOYSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@@H]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C[NH3+] ZINC000307576060 229216482 /nfs/dbraw/zinc/21/64/82/229216482.db2.gz LWVSSRANZONVSB-UMVBOHGHSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1CN ZINC000307576060 229216488 /nfs/dbraw/zinc/21/64/88/229216488.db2.gz LWVSSRANZONVSB-UMVBOHGHSA-N 1 3 232.371 2.492 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1CN ZINC000307576060 229216494 /nfs/dbraw/zinc/21/64/94/229216494.db2.gz LWVSSRANZONVSB-UMVBOHGHSA-N 1 3 232.371 2.492 20 0 BEADHO CCN1CC[C@H]([NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC000898431936 584135374 /nfs/dbraw/zinc/13/53/74/584135374.db2.gz DHNLCGQRQTUBLP-LJRGRFNSSA-N 1 3 216.756 2.059 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000226336189 487713763 /nfs/dbraw/zinc/71/37/63/487713763.db2.gz UQHBJLSLGSKABG-CYBMUJFWSA-N 1 3 242.407 2.264 20 0 BEADHO CC[NH+](CC)CCCNC[C@](C)(CC)OC ZINC000233455638 487717227 /nfs/dbraw/zinc/71/72/27/487717227.db2.gz BPWBGVWSXSAWIV-ZDUSSCGKSA-N 1 3 230.396 2.123 20 0 BEADHO CCN(CC)CCC[NH2+]C[C@](C)(CC)OC ZINC000233455638 487717231 /nfs/dbraw/zinc/71/72/31/487717231.db2.gz BPWBGVWSXSAWIV-ZDUSSCGKSA-N 1 3 230.396 2.123 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccccc1F ZINC000414875187 487733516 /nfs/dbraw/zinc/73/35/16/487733516.db2.gz JLBDGTIVOOZSOP-NEPJUHHUSA-N 1 3 238.350 2.331 20 0 BEADHO CCO[C@H]1C[C@H](NCC2([NH3+])CCCC2)C1(C)C ZINC000233763975 487739806 /nfs/dbraw/zinc/73/98/06/487739806.db2.gz LOTNNEUPSUEOBI-RYUDHWBXSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@@H]1C[C@H](NCC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233766280 487740042 /nfs/dbraw/zinc/74/00/42/487740042.db2.gz MGGQGSVJZRPOFW-FRRDWIJNSA-N 1 3 242.407 2.153 20 0 BEADHO CNC1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000162967004 487794460 /nfs/dbraw/zinc/79/44/60/487794460.db2.gz MPLJPIKWGRWBHY-NSHDSACASA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]C1CCN(C[C@H](C)C(C)(C)C)CC1 ZINC000162967004 487794463 /nfs/dbraw/zinc/79/44/63/487794463.db2.gz MPLJPIKWGRWBHY-NSHDSACASA-N 1 3 212.381 2.352 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000227349374 487810108 /nfs/dbraw/zinc/81/01/08/487810108.db2.gz CUYFBTRQWPWLET-GHMZBOCLSA-N 1 3 224.373 2.368 20 0 BEADHO CCCN(CCC[NH3+])CCc1cccs1 ZINC000414758920 487821138 /nfs/dbraw/zinc/82/11/38/487821138.db2.gz VQSMKVGNTXICDS-UHFFFAOYSA-N 1 3 226.389 2.351 20 0 BEADHO CCC[N@H+](CCCN)CCc1cccs1 ZINC000414758920 487821142 /nfs/dbraw/zinc/82/11/42/487821142.db2.gz VQSMKVGNTXICDS-UHFFFAOYSA-N 1 3 226.389 2.351 20 0 BEADHO CCC[N@@H+](CCCN)CCc1cccs1 ZINC000414758920 487821150 /nfs/dbraw/zinc/82/11/50/487821150.db2.gz VQSMKVGNTXICDS-UHFFFAOYSA-N 1 3 226.389 2.351 20 0 BEADHO CC[C@H](CNCCC[NH3+])Oc1ccccc1C ZINC000415074997 487835852 /nfs/dbraw/zinc/83/58/52/487835852.db2.gz DNOBIRUJYGBBPY-CYBMUJFWSA-N 1 3 236.359 2.091 20 0 BEADHO C[C@@H](CCC(F)(F)F)NC[C@H]1CCCC[NH2+]1 ZINC000666769915 487875377 /nfs/dbraw/zinc/87/53/77/487875377.db2.gz HFOCQKRTCWRMCN-VHSXEESVSA-N 1 3 238.297 2.449 20 0 BEADHO COC[C@]1(CNC[C@@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000666891906 487875702 /nfs/dbraw/zinc/87/57/02/487875702.db2.gz BVQCIYBSISVTQR-TZMCWYRMSA-N 1 3 242.407 2.027 20 0 BEADHO COC[C@@]1(CNC[C@H](C)C(C)(C)C)CCC[NH2+]1 ZINC000666891904 487875953 /nfs/dbraw/zinc/87/59/53/487875953.db2.gz BVQCIYBSISVTQR-JSGCOSHPSA-N 1 3 242.407 2.027 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2cnccc2c1 ZINC000666911660 487879075 /nfs/dbraw/zinc/87/90/75/487879075.db2.gz BQMVXCIKPHRBRU-CQSZACIVSA-N 1 3 229.327 2.062 20 0 BEADHO FC(F)[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000682029442 487880786 /nfs/dbraw/zinc/88/07/86/487880786.db2.gz OENUSFAKYXZJDV-GFCCVEGCSA-N 1 3 246.345 2.449 20 0 BEADHO FC(F)[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000682029442 487880790 /nfs/dbraw/zinc/88/07/90/487880790.db2.gz OENUSFAKYXZJDV-GFCCVEGCSA-N 1 3 246.345 2.449 20 0 BEADHO [NH3+]C[C@H]1CC[C@H](NCc2cccc(F)c2F)C1 ZINC000666962230 487919967 /nfs/dbraw/zinc/91/99/67/487919967.db2.gz UDDCNUICJHPROH-ONGXEEELSA-N 1 3 240.297 2.182 20 0 BEADHO C1CC2(C1)C[C@@H]([NH2+]C1CCSCC1)CCN2 ZINC000666995209 487920975 /nfs/dbraw/zinc/92/09/75/487920975.db2.gz GJQMRVAHVVBPAN-LBPRGKRZSA-N 1 3 240.416 2.146 20 0 BEADHO C[C@H](CC1CCC1)[NH2+]CCCNC1CC1 ZINC000666991366 487922180 /nfs/dbraw/zinc/92/21/80/487922180.db2.gz BJKIUVVURPAOAU-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CC1CC([NH2+][C@@H]2CCNC3(CCC3)C2)C1 ZINC000666995179 487924595 /nfs/dbraw/zinc/92/45/95/487924595.db2.gz FKJOYOPOBYBQJQ-MOENNCHZSA-N 1 3 208.349 2.049 20 0 BEADHO Cc1cc(N[C@@H]2CCN(C3CC3)C2)cc[nH+]1 ZINC000229565606 487926600 /nfs/dbraw/zinc/92/66/00/487926600.db2.gz KTVLTKFJAKNMJO-GFCCVEGCSA-N 1 3 217.316 2.039 20 0 BEADHO COCC1(CC[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 ZINC000566480835 323000987 /nfs/dbraw/zinc/00/09/87/323000987.db2.gz BBVGCRDWOYDSJY-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2CC2)C1 ZINC000247401209 323013001 /nfs/dbraw/zinc/01/30/01/323013001.db2.gz XHSPPKIHNBZQIZ-VXGBXAGGSA-N 1 3 210.365 2.106 20 0 BEADHO CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000562748359 323029717 /nfs/dbraw/zinc/02/97/17/323029717.db2.gz JKTBXEZATYBDCJ-NEPJUHHUSA-N 1 3 236.359 2.301 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)CNC ZINC000562956128 323035014 /nfs/dbraw/zinc/03/50/14/323035014.db2.gz GUHFQKHMQXIKHB-MNOVXSKESA-N 1 3 200.370 2.256 20 0 BEADHO CO[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000570815675 323071516 /nfs/dbraw/zinc/07/15/16/323071516.db2.gz CZRAQCQUOVNNMP-QLFBSQMISA-N 1 3 248.370 2.234 20 0 BEADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000563423082 323124235 /nfs/dbraw/zinc/12/42/35/323124235.db2.gz DBIKTNWZZXFJIB-CHWSQXEVSA-N 1 3 240.391 2.053 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H](C)CCC(C)C ZINC000414956074 323152266 /nfs/dbraw/zinc/15/22/66/323152266.db2.gz MYRMVKVZADHXAZ-VXGBXAGGSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOC(C)(C)C ZINC000308722979 323177364 /nfs/dbraw/zinc/17/73/64/323177364.db2.gz FBDIXWRTDBIDFR-AGIUHOORSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOC(C)(C)C ZINC000308722979 323177365 /nfs/dbraw/zinc/17/73/65/323177365.db2.gz FBDIXWRTDBIDFR-AGIUHOORSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000395136327 323188725 /nfs/dbraw/zinc/18/87/25/323188725.db2.gz RTLRVQBKVZSEJH-QJPTWQEYSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530213641 323216844 /nfs/dbraw/zinc/21/68/44/323216844.db2.gz BDLUIHJXGPSYNB-OLZOCXBDSA-N 1 3 222.376 2.439 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCC1 ZINC000530213641 323216846 /nfs/dbraw/zinc/21/68/46/323216846.db2.gz BDLUIHJXGPSYNB-OLZOCXBDSA-N 1 3 222.376 2.439 20 0 BEADHO COCC[C@H]1CCC[C@H]1[NH2+]CCCNC(C)C ZINC000563951263 323330280 /nfs/dbraw/zinc/33/02/80/323330280.db2.gz UKRWGQOIHXGRAY-ZIAGYGMSSA-N 1 3 242.407 2.169 20 0 BEADHO CC1(C)CCC[C@H](CN2CC[C@@H]([NH3+])C2)C1 ZINC000309399071 323372778 /nfs/dbraw/zinc/37/27/78/323372778.db2.gz HDNIWVNUKKYEIR-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO CCCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397339384 324211977 /nfs/dbraw/zinc/21/19/77/324211977.db2.gz VBHNJPVWBHBDFS-UPJWGTAASA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397339384 324211984 /nfs/dbraw/zinc/21/19/84/324211984.db2.gz VBHNJPVWBHBDFS-UPJWGTAASA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397339385 324212850 /nfs/dbraw/zinc/21/28/50/324212850.db2.gz VBHNJPVWBHBDFS-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397339385 324212856 /nfs/dbraw/zinc/21/28/56/324212856.db2.gz VBHNJPVWBHBDFS-XQQFMLRXSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000304365259 325146177 /nfs/dbraw/zinc/14/61/77/325146177.db2.gz FFYHAEMWNOEDRZ-AGIUHOORSA-N 1 3 242.432 2.058 20 0 BEADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132081937 325197756 /nfs/dbraw/zinc/19/77/56/325197756.db2.gz SVZUKDWXJXUJDS-GBJTYRQASA-N 1 3 246.354 2.288 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1 ZINC000565609812 325935113 /nfs/dbraw/zinc/93/51/13/325935113.db2.gz RMZYZPZDDDHLKW-HOTGVXAUSA-N 1 3 244.382 2.261 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000566483158 326056421 /nfs/dbraw/zinc/05/64/21/326056421.db2.gz ZHFNKSSXVBBWHK-KOLCDFICSA-N 1 3 232.318 2.424 20 0 BEADHO CSC1(CN(C)CCC[NH+](C)C)CCC1 ZINC000567408300 326185111 /nfs/dbraw/zinc/18/51/11/326185111.db2.gz GXWQHGDDCRWROP-UHFFFAOYSA-N 1 3 230.421 2.156 20 0 BEADHO CCNCCC[NH2+]C1CCC(CSC)CC1 ZINC000567639108 326236153 /nfs/dbraw/zinc/23/61/53/326236153.db2.gz WCSMVADWZXFUNG-UHFFFAOYSA-N 1 3 244.448 2.497 20 0 BEADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC1(C)C ZINC000568182728 326322017 /nfs/dbraw/zinc/32/20/17/326322017.db2.gz ZOXVEXZVBDTGDJ-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H](C)N)c1 ZINC000568749354 326374771 /nfs/dbraw/zinc/37/47/71/326374771.db2.gz VYVNQVNVZFXTRO-TZMCWYRMSA-N 1 3 248.370 2.049 20 0 BEADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H](C)N)c1 ZINC000568749354 326374772 /nfs/dbraw/zinc/37/47/72/326374772.db2.gz VYVNQVNVZFXTRO-TZMCWYRMSA-N 1 3 248.370 2.049 20 0 BEADHO CC[NH2+]CCCN[C@@H](C)CCc1ccco1 ZINC000569106283 326390306 /nfs/dbraw/zinc/39/03/06/326390306.db2.gz YDLWGDJFCXDJJW-LBPRGKRZSA-N 1 3 224.348 2.190 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCc3c2cccc3O)C1 ZINC000573107548 326430045 /nfs/dbraw/zinc/43/00/45/326430045.db2.gz XRUMUZVHYPKKKG-GYSYKLTISA-N 1 3 246.354 2.239 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N)C1)CC(F)F ZINC000656200900 488067694 /nfs/dbraw/zinc/06/76/94/488067694.db2.gz YGSXIKLLANMCQM-AEJSXWLSSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N)C1)CC(F)F ZINC000656200903 488067873 /nfs/dbraw/zinc/06/78/73/488067873.db2.gz YGSXIKLLANMCQM-LPEHRKFASA-N 1 3 220.307 2.137 20 0 BEADHO Cc1ccnc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000683010617 488090837 /nfs/dbraw/zinc/09/08/37/488090837.db2.gz CIFDNNGOQCENOW-UKRRQHHQSA-N 1 3 247.386 2.305 20 0 BEADHO Cc1ccnc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000683010617 488090843 /nfs/dbraw/zinc/09/08/43/488090843.db2.gz CIFDNNGOQCENOW-UKRRQHHQSA-N 1 3 247.386 2.305 20 0 BEADHO CCN1CC[C@@H]([NH2+]Cc2ccoc2C)[C@@H](C)C1 ZINC000675780438 488120928 /nfs/dbraw/zinc/12/09/28/488120928.db2.gz YJCKWQVZDWVTPD-SMDDNHRTSA-N 1 3 236.359 2.408 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667796578 488123671 /nfs/dbraw/zinc/12/36/71/488123671.db2.gz PJECVSPMODDHMB-LJISPDSOSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403587553 488127276 /nfs/dbraw/zinc/12/72/76/488127276.db2.gz DEYRIVUXDOZATR-KSTCHIGDSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403587553 488127278 /nfs/dbraw/zinc/12/72/78/488127278.db2.gz DEYRIVUXDOZATR-KSTCHIGDSA-N 1 3 222.376 2.092 20 0 BEADHO c1cc2cc(C[NH2+]C3CCNCC3)ccc2cn1 ZINC000168772984 487540427 /nfs/dbraw/zinc/54/04/27/487540427.db2.gz HWRLWVATFFPXCG-UHFFFAOYSA-N 1 3 241.338 2.076 20 0 BEADHO CN(CCC1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC000258863513 488140591 /nfs/dbraw/zinc/14/05/91/488140591.db2.gz IWZOXAOETUQUPX-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000405967607 487495264 /nfs/dbraw/zinc/49/52/64/487495264.db2.gz SGUILRAHMAVFPG-NEPJUHHUSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967607 487495268 /nfs/dbraw/zinc/49/52/68/487495268.db2.gz SGUILRAHMAVFPG-NEPJUHHUSA-N 1 3 224.392 2.482 20 0 BEADHO Cc1ccc(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000680046169 487526290 /nfs/dbraw/zinc/52/62/90/487526290.db2.gz RFPZQYMALJDDBD-IYBDPMFKSA-N 1 3 244.382 2.079 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCNC[C@H]1C)C(C)(C)C ZINC000379943470 488162441 /nfs/dbraw/zinc/16/24/41/488162441.db2.gz CPMSHDHIYYEHRC-WOPDTQHZSA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc(F)cc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000334845224 487572253 /nfs/dbraw/zinc/57/22/53/487572253.db2.gz KCHXTHNRQCHSET-KGLIPLIRSA-N 1 3 236.334 2.494 20 0 BEADHO Fc1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950682 487890624 /nfs/dbraw/zinc/89/06/24/487890624.db2.gz ANYQJOPTMOHXCC-ZDUSSCGKSA-N 1 3 234.318 2.057 20 0 BEADHO CC1(C)CCC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000678343079 488243490 /nfs/dbraw/zinc/24/34/90/488243490.db2.gz LSFGOOQRUQKHMI-IHRRRGAJSA-N 1 3 236.403 2.354 20 0 BEADHO Cc1cccc(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000679214958 488317670 /nfs/dbraw/zinc/31/76/70/488317670.db2.gz VXEIWOGBXQTGCZ-IYBDPMFKSA-N 1 3 244.382 2.079 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283125 490096183 /nfs/dbraw/zinc/09/61/83/490096183.db2.gz HUBXCCCFQVXQMK-OCCSQVGLSA-N 1 3 236.359 2.319 20 0 BEADHO CCCC[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000070464674 490216011 /nfs/dbraw/zinc/21/60/11/490216011.db2.gz WGWPTBIWSDSRQM-AWEZNQCLSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1N ZINC000251703410 490260211 /nfs/dbraw/zinc/26/02/11/490260211.db2.gz JBWFBMMQKGBHTC-HUUCEWRRSA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1N ZINC000251703410 490260216 /nfs/dbraw/zinc/26/02/16/490260216.db2.gz JBWFBMMQKGBHTC-HUUCEWRRSA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CC1 ZINC000083055793 490318354 /nfs/dbraw/zinc/31/83/54/490318354.db2.gz KUBAUVWQDBVZGI-JSGCOSHPSA-N 1 3 224.392 2.495 20 0 BEADHO Cc1ncccc1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404292490 491093557 /nfs/dbraw/zinc/09/35/57/491093557.db2.gz LVJHNICPMZWTLE-WFASDCNBSA-N 1 3 247.386 2.339 20 0 BEADHO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000293659103 491114320 /nfs/dbraw/zinc/11/43/20/491114320.db2.gz LUIHTCRZTMCQIS-DGCLKSJQSA-N 1 3 235.375 2.238 20 0 BEADHO Cc1ncc([C@H](C)[NH2+][C@H](C)CCN(C)C)s1 ZINC000090406297 491126050 /nfs/dbraw/zinc/12/60/50/491126050.db2.gz HCWIAQYEYVVXDS-ZJUUUORDSA-N 1 3 241.404 2.442 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227077822 491138035 /nfs/dbraw/zinc/13/80/35/491138035.db2.gz RONDBQFZNZFUGK-YDHLFZDLSA-N 1 3 230.355 2.043 20 0 BEADHO CCC[C@H](C)[N@@H+]1CCC[C@]12CCCNC2 ZINC000757135098 582514046 /nfs/dbraw/zinc/51/40/46/582514046.db2.gz YKEFQTJKBYWEMV-STQMWFEESA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@H](C)[N@H+]1CCC[C@]12CCCNC2 ZINC000757135098 582514047 /nfs/dbraw/zinc/51/40/47/582514047.db2.gz YKEFQTJKBYWEMV-STQMWFEESA-N 1 3 210.365 2.393 20 0 BEADHO CCC[C@H](C)N1CCC[C@]12CCC[NH2+]C2 ZINC000757135098 582514048 /nfs/dbraw/zinc/51/40/48/582514048.db2.gz YKEFQTJKBYWEMV-STQMWFEESA-N 1 3 210.365 2.393 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000488352457 534024078 /nfs/dbraw/zinc/02/40/78/534024078.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000488352457 534024084 /nfs/dbraw/zinc/02/40/84/534024084.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000488352457 534024091 /nfs/dbraw/zinc/02/40/91/534024091.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 1 3 236.403 2.306 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000488352457 534024095 /nfs/dbraw/zinc/02/40/95/534024095.db2.gz NVTPFPNJCWPNTO-YUELXQCFSA-N 1 3 236.403 2.306 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C/C=C/c2ccncc2)C1 ZINC000486986780 527743257 /nfs/dbraw/zinc/74/32/57/527743257.db2.gz ZKHLNODXCAUKFB-BWPKMQGJSA-N 1 3 245.370 2.026 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C2CC2)C1 ZINC000400006184 528346728 /nfs/dbraw/zinc/34/67/28/528346728.db2.gz RLKLPELXYBQTEU-CHWSQXEVSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400461629 529312296 /nfs/dbraw/zinc/31/22/96/529312296.db2.gz RSAIEVRAIFJBHI-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCN1 ZINC000400461629 529312298 /nfs/dbraw/zinc/31/22/98/529312298.db2.gz RSAIEVRAIFJBHI-NDBYEHHHSA-N 1 3 210.365 2.295 20 0 BEADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000261569442 535285153 /nfs/dbraw/zinc/28/51/53/535285153.db2.gz JUHMPSMLHJAUNA-RRFJBIMHSA-N 1 3 248.370 2.128 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261564570 535420904 /nfs/dbraw/zinc/42/09/04/535420904.db2.gz XTBOXCCVJPHZEX-TUAOUCFPSA-N 1 3 236.359 2.472 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CC2CCC2)C1 ZINC000174211828 535597786 /nfs/dbraw/zinc/59/77/86/535597786.db2.gz NJWJGVTXSIZUGP-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC000174211828 535597790 /nfs/dbraw/zinc/59/77/90/535597790.db2.gz NJWJGVTXSIZUGP-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN(CC2CCC2)C1 ZINC000174211828 535597795 /nfs/dbraw/zinc/59/77/95/535597795.db2.gz NJWJGVTXSIZUGP-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@H+](C[C@@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000261995546 535773326 /nfs/dbraw/zinc/77/33/26/535773326.db2.gz SULOQBLFOQKYPQ-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CC[N@@H+](C[C@@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000261995546 535773329 /nfs/dbraw/zinc/77/33/29/535773329.db2.gz SULOQBLFOQKYPQ-QWHCGFSZSA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@]1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261557551 535910485 /nfs/dbraw/zinc/91/04/85/535910485.db2.gz XKGPJDLZNUOWIV-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO CCc1ccccc1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261554051 535937054 /nfs/dbraw/zinc/93/70/54/535937054.db2.gz AOXVSQNJHNTAEQ-GOEBONIOSA-N 1 3 244.382 2.290 20 0 BEADHO CN(C)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000179632610 535943870 /nfs/dbraw/zinc/94/38/70/535943870.db2.gz BSJGXMHTMAQUBA-NSHDSACASA-N 1 3 224.373 2.132 20 0 BEADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000179632610 535943875 /nfs/dbraw/zinc/94/38/75/535943875.db2.gz BSJGXMHTMAQUBA-NSHDSACASA-N 1 3 224.373 2.132 20 0 BEADHO CC[C@@]1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261554800 536048973 /nfs/dbraw/zinc/04/89/73/536048973.db2.gz UPQHMGHJFJKKTG-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261554800 536048975 /nfs/dbraw/zinc/04/89/75/536048975.db2.gz UPQHMGHJFJKKTG-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CO[C@@H]1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000261576243 536706485 /nfs/dbraw/zinc/70/64/85/536706485.db2.gz NOAVOPBXPCMETB-IDTSFGKNSA-N 1 3 246.354 2.288 20 0 BEADHO COc1ccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000252889537 536897830 /nfs/dbraw/zinc/89/78/30/536897830.db2.gz DXMIZAQHJGFTMO-IUODEOHRSA-N 1 3 248.370 2.125 20 0 BEADHO COc1ccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000252889537 536897832 /nfs/dbraw/zinc/89/78/32/536897832.db2.gz DXMIZAQHJGFTMO-IUODEOHRSA-N 1 3 248.370 2.125 20 0 BEADHO C([NH2+]C1CCCCCCC1)C12CC(C1)CN2 ZINC000853246898 588728635 /nfs/dbraw/zinc/72/86/35/588728635.db2.gz VZJWXULHQWBEIV-UHFFFAOYSA-N 1 3 222.376 2.441 20 0 BEADHO C(NC1CCCCCCC1)C12CC(C1)C[NH2+]2 ZINC000853246898 588728636 /nfs/dbraw/zinc/72/86/36/588728636.db2.gz VZJWXULHQWBEIV-UHFFFAOYSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@H](NCCC[NH3+])c1ccc2c(c1)CCCO2 ZINC000853249579 588729215 /nfs/dbraw/zinc/72/92/15/588729215.db2.gz RKPKQWNSJGNDJI-NSHDSACASA-N 1 3 234.343 2.011 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1C=CCC1 ZINC000854221337 588780166 /nfs/dbraw/zinc/78/01/66/588780166.db2.gz KNLNOIUUESTZIF-JQWIXIFHSA-N 1 3 231.343 2.218 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000854229935 588780876 /nfs/dbraw/zinc/78/08/76/588780876.db2.gz ARQQKANOQRCKRZ-XQQFMLRXSA-N 1 3 212.381 2.384 20 0 BEADHO CCCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757127723 582503607 /nfs/dbraw/zinc/50/36/07/582503607.db2.gz HVPNJFWZYAYDPY-CYBMUJFWSA-N 1 3 210.365 2.395 20 0 BEADHO CCCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC000757127723 582503608 /nfs/dbraw/zinc/50/36/08/582503608.db2.gz HVPNJFWZYAYDPY-CYBMUJFWSA-N 1 3 210.365 2.395 20 0 BEADHO CC[C@H]1CCC[N@@H+]1CC1CCN(C)CC1 ZINC000891780821 582720281 /nfs/dbraw/zinc/72/02/81/582720281.db2.gz CNIMYJDXZMDSEQ-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@H]1CCC[N@H+]1CC1CCN(C)CC1 ZINC000891780821 582720282 /nfs/dbraw/zinc/72/02/82/582720282.db2.gz CNIMYJDXZMDSEQ-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000892019617 582762287 /nfs/dbraw/zinc/76/22/87/582762287.db2.gz NDJGDDNIXUNGAZ-AWEZNQCLSA-N 1 3 248.370 2.411 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000892019617 582762289 /nfs/dbraw/zinc/76/22/89/582762289.db2.gz NDJGDDNIXUNGAZ-AWEZNQCLSA-N 1 3 248.370 2.411 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000892069315 582783928 /nfs/dbraw/zinc/78/39/28/582783928.db2.gz HWQYRMNCUJPWDC-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO C[C@@H]1CC[C@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000892069315 582783930 /nfs/dbraw/zinc/78/39/30/582783930.db2.gz HWQYRMNCUJPWDC-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CN1CCC(C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000892144399 582799123 /nfs/dbraw/zinc/79/91/23/582799123.db2.gz NWAXUGBZOFYLOU-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO CN1CCC(C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000892144399 582799125 /nfs/dbraw/zinc/79/91/25/582799125.db2.gz NWAXUGBZOFYLOU-CQSZACIVSA-N 1 3 222.376 2.060 20 0 BEADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCCC1 ZINC000394611664 582998068 /nfs/dbraw/zinc/99/80/68/582998068.db2.gz HZTJQJSNBCGMRO-HUUCEWRRSA-N 1 3 236.403 2.498 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000894735103 583514401 /nfs/dbraw/zinc/51/44/01/583514401.db2.gz GJHKNPOCVHWLLA-HZPDHXFCSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000894735103 583514403 /nfs/dbraw/zinc/51/44/03/583514403.db2.gz GJHKNPOCVHWLLA-HZPDHXFCSA-N 1 3 248.414 2.449 20 0 BEADHO C[C@H](CCc1cccnc1)[NH2+]CC[C@H](C)N(C)C ZINC000895290525 583637831 /nfs/dbraw/zinc/63/78/31/583637831.db2.gz KMTQSOQZYGDHKH-KGLIPLIRSA-N 1 3 249.402 2.333 20 0 BEADHO COC1(C[C@@H](C)[NH2+]CC[C@H](C)N(C)C)CCC1 ZINC000895294577 583638106 /nfs/dbraw/zinc/63/81/06/583638106.db2.gz RTRGIIKZZHEZSI-OLZOCXBDSA-N 1 3 242.407 2.264 20 0 BEADHO CC1=CC[C@H]([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000895294350 583638485 /nfs/dbraw/zinc/63/84/85/583638485.db2.gz UJYMSPDZZVTDMJ-OLZOCXBDSA-N 1 3 210.365 2.415 20 0 BEADHO C[C@H](CC1CCOCC1)[NH2+]CC[C@@H](C)N(C)C ZINC000895292940 583639274 /nfs/dbraw/zinc/63/92/74/583639274.db2.gz DZDCXYDTVQNHRT-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](CC[NH2+]C1C[C@@H]2CCC[C@H]2C1)N(C)C ZINC000895429603 583668791 /nfs/dbraw/zinc/66/87/91/583668791.db2.gz QQIMNQLKWYURFH-AGIUHOORSA-N 1 3 224.392 2.495 20 0 BEADHO CN1CCC(C[N@@H+]2CCC[C@H](CF)C2)CC1 ZINC000896000966 583760154 /nfs/dbraw/zinc/76/01/54/583760154.db2.gz ZYQFVERHYUKFAH-CYBMUJFWSA-N 1 3 228.355 2.010 20 0 BEADHO CN1CCC(C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC000896000966 583760155 /nfs/dbraw/zinc/76/01/55/583760155.db2.gz ZYQFVERHYUKFAH-CYBMUJFWSA-N 1 3 228.355 2.010 20 0 BEADHO C[NH+](C)CC1CCN(C/C=C\Cl)CC1 ZINC000727932308 583837595 /nfs/dbraw/zinc/83/75/95/583837595.db2.gz ZSLLUACDJYNGBN-UTCJRWHESA-N 1 3 216.756 2.013 20 0 BEADHO CN1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000898072192 584083030 /nfs/dbraw/zinc/08/30/30/584083030.db2.gz ZRSQUMVLKLJVFN-OKILXGFUSA-N 1 3 222.376 2.060 20 0 BEADHO CN1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000898072192 584083031 /nfs/dbraw/zinc/08/30/31/584083031.db2.gz ZRSQUMVLKLJVFN-OKILXGFUSA-N 1 3 222.376 2.060 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)Cc1ccn(C)c1 ZINC000898308076 584109681 /nfs/dbraw/zinc/10/96/81/584109681.db2.gz NCHZCSISLLMUNY-UHFFFAOYSA-N 1 3 237.391 2.045 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)Cc1ccn(C)c1 ZINC000898308076 584109682 /nfs/dbraw/zinc/10/96/82/584109682.db2.gz NCHZCSISLLMUNY-UHFFFAOYSA-N 1 3 237.391 2.045 20 0 BEADHO CC[C@@](C)(CN(C)CC(C)(C)C[NH+](C)C)OC ZINC000898308223 584109938 /nfs/dbraw/zinc/10/99/38/584109938.db2.gz SVLDKSJYBRAEDT-AWEZNQCLSA-N 1 3 244.423 2.321 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Cl)cn1 ZINC000873249518 584128344 /nfs/dbraw/zinc/12/83/44/584128344.db2.gz ATERNKTVZKEUPO-KKZNHRDASA-N 1 3 239.750 2.123 20 0 BEADHO CSCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902330556 584562259 /nfs/dbraw/zinc/56/22/59/584562259.db2.gz POOKHMXSEZXRSA-NSHDSACASA-N 1 3 230.421 2.107 20 0 BEADHO CSCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902330555 584562288 /nfs/dbraw/zinc/56/22/88/584562288.db2.gz POOKHMXSEZXRSA-LLVKDONJSA-N 1 3 230.421 2.107 20 0 BEADHO CC(C)OCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902331986 584563198 /nfs/dbraw/zinc/56/31/98/584563198.db2.gz XUFRSTOXYNULTC-ZDUSSCGKSA-N 1 3 242.407 2.169 20 0 BEADHO CO[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902333892 584563343 /nfs/dbraw/zinc/56/33/43/584563343.db2.gz MVGRWUMGNVHXAK-STQMWFEESA-N 1 3 242.407 2.025 20 0 BEADHO CO[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000902333889 584563653 /nfs/dbraw/zinc/56/36/53/584563653.db2.gz MVGRWUMGNVHXAK-CHWSQXEVSA-N 1 3 242.407 2.025 20 0 BEADHO CSC(C)(C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902333513 584563853 /nfs/dbraw/zinc/56/38/53/584563853.db2.gz KEOMRDOUELHPIW-LLVKDONJSA-N 1 3 244.448 2.496 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000902350859 584569251 /nfs/dbraw/zinc/56/92/51/584569251.db2.gz BXKRKZFRDLXVNG-AAEUAGOBSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000902350860 584569279 /nfs/dbraw/zinc/56/92/79/584569279.db2.gz BXKRKZFRDLXVNG-DGCLKSJQSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902386297 584578553 /nfs/dbraw/zinc/57/85/53/584578553.db2.gz FGIQOXAPADJFKQ-FRRDWIJNSA-N 1 3 224.392 2.400 20 0 BEADHO CCC[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902389228 584580300 /nfs/dbraw/zinc/58/03/00/584580300.db2.gz TTYFTWRBQCYEEQ-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO COCC[C@@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902390093 584581242 /nfs/dbraw/zinc/58/12/42/584581242.db2.gz GXNLBQGBWJVFQW-CHWSQXEVSA-N 1 3 242.407 2.027 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000902394328 584584816 /nfs/dbraw/zinc/58/48/16/584584816.db2.gz AWABNEZMWNHXKN-CYBMUJFWSA-N 1 3 222.376 2.320 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2C=CCC2)C1 ZINC000902404611 584589128 /nfs/dbraw/zinc/58/91/28/584589128.db2.gz XJIOEFFVEWRTKA-STQMWFEESA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H]([NH2+]CC1(N)CC1)c1cnc2ccsc2c1 ZINC000902418605 584591851 /nfs/dbraw/zinc/59/18/51/584591851.db2.gz XMGVUSXQGCBAMH-VIFPVBQESA-N 1 3 247.367 2.438 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000902429232 584594993 /nfs/dbraw/zinc/59/49/93/584594993.db2.gz COMOVQOCZNUFHZ-LBPRGKRZSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902434679 584595892 /nfs/dbraw/zinc/59/58/92/584595892.db2.gz ZCFDTQAONJZBHU-AAEUAGOBSA-N 1 3 224.392 2.400 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000902440878 584597222 /nfs/dbraw/zinc/59/72/22/584597222.db2.gz AVIDBGKFUXVHMM-GFCCVEGCSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]([NH2+][C@H]1CNCC1(C)C)C1CCSCC1 ZINC000902443176 584598533 /nfs/dbraw/zinc/59/85/33/584598533.db2.gz KJHZLFMXRUKFJZ-PWSUYJOCSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902445373 584598769 /nfs/dbraw/zinc/59/87/69/584598769.db2.gz LUPBFPQUTUNIRX-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902445859 584598978 /nfs/dbraw/zinc/59/89/78/584598978.db2.gz MWDRDXSSCPGUNY-RTWBTXMESA-N 1 3 228.405 2.128 20 0 BEADHO NC1(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000902414037 584599782 /nfs/dbraw/zinc/59/97/82/584599782.db2.gz QWOBGUJBLVXVFI-CYBMUJFWSA-N 1 3 248.395 2.098 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000902447564 584604495 /nfs/dbraw/zinc/60/44/95/584604495.db2.gz ZQWBILILAGTDCJ-NEPJUHHUSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000902447548 584604820 /nfs/dbraw/zinc/60/48/20/584604820.db2.gz ZLXUKTCQXDCLIZ-CHWSQXEVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)S2 ZINC000902448364 584605574 /nfs/dbraw/zinc/60/55/74/584605574.db2.gz ZTPDAMRZIANBNI-JVGWCMFKSA-N 1 3 240.416 2.143 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CCCC1(C)C ZINC000902448906 584605647 /nfs/dbraw/zinc/60/56/47/584605647.db2.gz JFRDRJIZSHMLHY-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)NCC[C@H]1[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902453252 584608138 /nfs/dbraw/zinc/60/81/38/584608138.db2.gz OGZDIPJFTIDBFL-WDEREUQCSA-N 1 3 242.432 2.391 20 0 BEADHO C1[C@H]2CCC[C@@H]2[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902453953 584608858 /nfs/dbraw/zinc/60/88/58/584608858.db2.gz GHVFPSULEBPTOU-RSDXJVJXSA-N 1 3 220.360 2.048 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCSC(C)(C)C1 ZINC000902454280 584608970 /nfs/dbraw/zinc/60/89/70/584608970.db2.gz SCYFOEFHTPSLLA-DCAQKATOSA-N 1 3 230.421 2.376 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H]21)[C@H]1CCCC[NH2+]1 ZINC000902454855 584609410 /nfs/dbraw/zinc/60/94/10/584609410.db2.gz JATAGWDYHNROGZ-MEBFFEOJSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]12)[C@@H]1CCCC[NH2+]1 ZINC000902454861 584609527 /nfs/dbraw/zinc/60/95/27/584609527.db2.gz JATAGWDYHNROGZ-PDWCTOEPSA-N 1 3 222.376 2.295 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CN)O1 ZINC000902460248 584610778 /nfs/dbraw/zinc/61/07/78/584610778.db2.gz FUSBBYNDOWPVAC-XQQFMLRXSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]([NH2+]CCC1CCC(F)(F)CC1)C1CNC1 ZINC000902458462 584610839 /nfs/dbraw/zinc/61/08/39/584610839.db2.gz XQBVARSVXZFWOD-SNVBAGLBSA-N 1 3 246.345 2.400 20 0 BEADHO C1CC1[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCC1 ZINC000902464804 584613290 /nfs/dbraw/zinc/61/32/90/584613290.db2.gz CXGWZVDBZQNZDB-XJFOESAGSA-N 1 3 220.360 2.048 20 0 BEADHO C1CC2(CCCC2)[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902466104 584613757 /nfs/dbraw/zinc/61/37/57/584613757.db2.gz IUZAXWYQPIOEEN-UMSGYPCISA-N 1 3 220.360 2.192 20 0 BEADHO CCC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CCC1 ZINC000902467597 584614578 /nfs/dbraw/zinc/61/45/78/584614578.db2.gz PKBYRSZUNPZSRB-ZOBORPQBSA-N 1 3 222.376 2.438 20 0 BEADHO CCC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCC1 ZINC000902469357 584615725 /nfs/dbraw/zinc/61/57/25/584615725.db2.gz PKBYRSZUNPZSRB-REWJHTLYSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902468368 584615813 /nfs/dbraw/zinc/61/58/13/584615813.db2.gz SKFVLCCXPYXZMK-SLBVQIDZSA-N 1 3 244.382 2.490 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000902504253 584621422 /nfs/dbraw/zinc/62/14/22/584621422.db2.gz NCQCPAVRQXKULI-JHJVBQTASA-N 1 3 220.360 2.215 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000902505793 584621454 /nfs/dbraw/zinc/62/14/54/584621454.db2.gz UCWOQSYDESEANA-FDYHWXHSSA-N 1 3 208.349 2.201 20 0 BEADHO Cc1ncccc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000902511756 584623523 /nfs/dbraw/zinc/62/35/23/584623523.db2.gz FJUIARWQAJYKLH-GJZGRUSLSA-N 1 3 247.386 2.182 20 0 BEADHO CCCC[C@H](COC)[NH2+]C[C@H]1CCCCCN1 ZINC000902481865 584623824 /nfs/dbraw/zinc/62/38/24/584623824.db2.gz HLNTXJFTJCJTCG-ZIAGYGMSSA-N 1 3 242.407 2.313 20 0 BEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1F ZINC000902488798 584627587 /nfs/dbraw/zinc/62/75/87/584627587.db2.gz NWTWMRBTYMKEMW-QXEWZRGKSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@@H](F)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903178618 584733219 /nfs/dbraw/zinc/73/32/19/584733219.db2.gz XQNLUYXSNNQOMW-WDFAYWTNSA-N 1 3 240.366 2.482 20 0 BEADHO C[C@@H](F)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903178618 584733221 /nfs/dbraw/zinc/73/32/21/584733221.db2.gz XQNLUYXSNNQOMW-WDFAYWTNSA-N 1 3 240.366 2.482 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C1CC1 ZINC000903240688 584738113 /nfs/dbraw/zinc/73/81/13/584738113.db2.gz XAIPFESWVLEDCY-ONXXMXGDSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1Cc2ccccc2[C@H](C)C1 ZINC000903427277 584761287 /nfs/dbraw/zinc/76/12/87/584761287.db2.gz ULAYWIJGKMTJJS-NFAWXSAZSA-N 1 3 244.382 2.461 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1Cc2ccccc2C[C@@H]1C ZINC000903439894 584763415 /nfs/dbraw/zinc/76/34/15/584763415.db2.gz PIKQMBGQMVFCMX-WWGRRREGSA-N 1 3 244.382 2.289 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903441412 584763513 /nfs/dbraw/zinc/76/35/13/584763513.db2.gz QWGKRZKOXYSPFB-AGIUHOORSA-N 1 3 244.448 2.305 20 0 BEADHO CC(F)(F)CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903471607 584775490 /nfs/dbraw/zinc/77/54/90/584775490.db2.gz KNHCYUZYSUOFRD-SNVBAGLBSA-N 1 3 232.318 2.296 20 0 BEADHO CC[C@H]1C[N@H+](CC2CC(C)C2)CC[C@@H]1N ZINC000903747787 584794743 /nfs/dbraw/zinc/79/47/43/584794743.db2.gz XJMVTHOZTBCECH-TYUFSLCMSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1C[N@@H+](CC2CC(C)C2)CC[C@@H]1N ZINC000903747787 584794744 /nfs/dbraw/zinc/79/47/44/584794744.db2.gz XJMVTHOZTBCECH-TYUFSLCMSA-N 1 3 210.365 2.092 20 0 BEADHO CC[C@H]1CN(CC2CC(C)C2)CC[C@@H]1[NH3+] ZINC000903747787 584794745 /nfs/dbraw/zinc/79/47/45/584794745.db2.gz XJMVTHOZTBCECH-TYUFSLCMSA-N 1 3 210.365 2.092 20 0 BEADHO CN(C[C@@H]1CC1(C)C)C[C@H]1CCCC[NH2+]C1 ZINC000903769894 584798100 /nfs/dbraw/zinc/79/81/00/584798100.db2.gz QXQRTESYMMNWKE-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1CCCCNC1 ZINC000903769894 584798101 /nfs/dbraw/zinc/79/81/01/584798101.db2.gz QXQRTESYMMNWKE-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCCCNC1 ZINC000903769894 584798102 /nfs/dbraw/zinc/79/81/02/584798102.db2.gz QXQRTESYMMNWKE-STQMWFEESA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CNCC1(C)C)C(C)(C)C ZINC000903821643 584803966 /nfs/dbraw/zinc/80/39/66/584803966.db2.gz OLUXVRVWVAWKLL-WDEREUQCSA-N 1 3 212.381 2.256 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H](N)CC(F)F)CC12CCC2 ZINC000903913465 584822617 /nfs/dbraw/zinc/82/26/17/584822617.db2.gz CNUYCZTYIIHYBS-MNOVXSKESA-N 1 3 246.345 2.481 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H](N)CC(F)F)CC12CCC2 ZINC000903913465 584822618 /nfs/dbraw/zinc/82/26/18/584822618.db2.gz CNUYCZTYIIHYBS-MNOVXSKESA-N 1 3 246.345 2.481 20 0 BEADHO C1=C[C@@H](NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000903933276 584825132 /nfs/dbraw/zinc/82/51/32/584825132.db2.gz NWMBORYYINYDCJ-CQSZACIVSA-N 1 3 228.339 2.141 20 0 BEADHO CC(C)([NH3+])CCNCc1ccc2cnccc2c1 ZINC000903939616 584828992 /nfs/dbraw/zinc/82/89/92/584828992.db2.gz KLHBCRYPTZBGED-UHFFFAOYSA-N 1 3 243.354 2.452 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000903964097 584833911 /nfs/dbraw/zinc/83/39/11/584833911.db2.gz LJADWHKUEKEHNH-RXGFPQBGSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000903965046 584834576 /nfs/dbraw/zinc/83/45/76/584834576.db2.gz YUZQWJHRJDZLIN-FVCCEPFGSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCCCC1 ZINC000903964806 584834594 /nfs/dbraw/zinc/83/45/94/584834594.db2.gz WGMMUELEWJTSMX-NQBHXWOUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000903965023 584834765 /nfs/dbraw/zinc/83/47/65/584834765.db2.gz YLAFTAMIGKZEJC-FDYHWXHSSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccc(C)c1CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967478 584834974 /nfs/dbraw/zinc/83/49/74/584834974.db2.gz JVIGEEZKLBQNGV-KGLIPLIRSA-N 1 3 232.371 2.249 20 0 BEADHO CN(Cc1ccc(F)c(F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308186 584862784 /nfs/dbraw/zinc/86/27/84/584862784.db2.gz LQIORYXSRDTGMX-PHIMTYICSA-N 1 3 240.297 2.134 20 0 BEADHO C[C@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904313457 584863705 /nfs/dbraw/zinc/86/37/05/584863705.db2.gz UOGBKINGXFAPAY-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904313457 584863707 /nfs/dbraw/zinc/86/37/07/584863707.db2.gz UOGBKINGXFAPAY-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904313459 584863227 /nfs/dbraw/zinc/86/32/27/584863227.db2.gz UOGBKINGXFAPAY-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904313459 584863228 /nfs/dbraw/zinc/86/32/28/584863228.db2.gz UOGBKINGXFAPAY-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@H+](C[C@@]1(C)CCCNC1)C(C1CC1)C1CC1 ZINC000904313777 584863293 /nfs/dbraw/zinc/86/32/93/584863293.db2.gz JYVWPTJDBZFIAG-HNNXBMFYSA-N 1 3 236.403 2.497 20 0 BEADHO C[N@@H+](C[C@@]1(C)CCCNC1)C(C1CC1)C1CC1 ZINC000904313777 584863294 /nfs/dbraw/zinc/86/32/94/584863294.db2.gz JYVWPTJDBZFIAG-HNNXBMFYSA-N 1 3 236.403 2.497 20 0 BEADHO COc1ccccc1[C@H](C)NC1CC(C[NH3+])C1 ZINC000904360678 584872083 /nfs/dbraw/zinc/87/20/83/584872083.db2.gz NZGULVJEMBYVHG-UNXYVOJBSA-N 1 3 234.343 2.083 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904372358 584873915 /nfs/dbraw/zinc/87/39/15/584873915.db2.gz CBIVBUCLUMQUHB-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CC(C)(C)C[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904372358 584873916 /nfs/dbraw/zinc/87/39/16/584873916.db2.gz CBIVBUCLUMQUHB-OCCSQVGLSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CNC[C@@]1(C)CCCO1 ZINC000904366854 584874891 /nfs/dbraw/zinc/87/48/91/584874891.db2.gz RHHCPNLTXWVXSW-TZMCWYRMSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000904389703 584875644 /nfs/dbraw/zinc/87/56/44/584875644.db2.gz RGWNICUOBIPKAN-LPEHRKFASA-N 1 3 240.297 2.353 20 0 BEADHO C[C@H](C[NH2+]C[C@]1(C)CCCNC1)c1ccncc1 ZINC000904381597 584877541 /nfs/dbraw/zinc/87/75/41/584877541.db2.gz ZLQWTGGBMSSBCL-UKRRQHHQSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H](CNC[C@]1(C)CCC[NH2+]C1)c1ccncc1 ZINC000904381597 584877542 /nfs/dbraw/zinc/87/75/42/584877542.db2.gz ZLQWTGGBMSSBCL-UKRRQHHQSA-N 1 3 247.386 2.164 20 0 BEADHO [NH3+]CC1CC(N[C@@H]2c3ccccc3CC[C@H]2F)C1 ZINC000904386019 584877743 /nfs/dbraw/zinc/87/77/43/584877743.db2.gz MZEISRLQRYBSNO-CKCNXQLGSA-N 1 3 248.345 2.339 20 0 BEADHO COc1c(C)cc(C[NH2+][C@@H](C)[C@H](C)N)cc1C ZINC000841082176 584882878 /nfs/dbraw/zinc/88/28/78/584882878.db2.gz WPRVCXHSYXAKPM-RYUDHWBXSA-N 1 3 236.359 2.137 20 0 BEADHO CCCC[N@@H+]1CCCC12CCN(C)CC2 ZINC000769160048 584958797 /nfs/dbraw/zinc/95/87/97/584958797.db2.gz AAMRSDZDYORKKG-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO CCCC[N@H+]1CCCC12CCN(C)CC2 ZINC000769160048 584958798 /nfs/dbraw/zinc/95/87/98/584958798.db2.gz AAMRSDZDYORKKG-UHFFFAOYSA-N 1 3 210.365 2.347 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817957276 584991627 /nfs/dbraw/zinc/99/16/27/584991627.db2.gz ADIFIQUWOHHLIM-WDEREUQCSA-N 1 3 232.437 2.480 20 0 BEADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)[C@@H](C)N ZINC000817977266 584993358 /nfs/dbraw/zinc/99/33/58/584993358.db2.gz FUSFKGFBVBUEKQ-SUNKGSAMSA-N 1 3 218.344 2.308 20 0 BEADHO CC[C@@H](N)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817979521 584994931 /nfs/dbraw/zinc/99/49/31/584994931.db2.gz LEMBSUQVMVWGGO-TZMCWYRMSA-N 1 3 218.344 2.309 20 0 BEADHO CC[NH+]1CCC(CCNCc2ccoc2)CC1 ZINC000742378109 585125580 /nfs/dbraw/zinc/12/55/80/585125580.db2.gz WZVYJNXOXXXLIF-UHFFFAOYSA-N 1 3 236.359 2.491 20 0 BEADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000757641736 585343614 /nfs/dbraw/zinc/34/36/14/585343614.db2.gz GTOHZBPKCNHBIB-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000757641736 585343615 /nfs/dbraw/zinc/34/36/15/585343615.db2.gz GTOHZBPKCNHBIB-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000757641735 585343817 /nfs/dbraw/zinc/34/38/17/585343817.db2.gz GTOHZBPKCNHBIB-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCCC[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000757641735 585343818 /nfs/dbraw/zinc/34/38/18/585343818.db2.gz GTOHZBPKCNHBIB-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO C[C@@H]1C[C@@H](NCCNc2ccccc2)CC[N@@H+]1C ZINC000766514470 585503404 /nfs/dbraw/zinc/50/34/04/585503404.db2.gz GSTYXIIECQKTHW-HIFRSBDPSA-N 1 3 247.386 2.171 20 0 BEADHO C[C@@H]1C[C@@H](NCCNc2ccccc2)CC[N@H+]1C ZINC000766514470 585503405 /nfs/dbraw/zinc/50/34/05/585503405.db2.gz GSTYXIIECQKTHW-HIFRSBDPSA-N 1 3 247.386 2.171 20 0 BEADHO C[C@H](C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000777446447 585712559 /nfs/dbraw/zinc/71/25/59/585712559.db2.gz LWCCRFHTBZCMTG-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO C[C@H](C1CC1)[NH+]1CCN(c2ccncc2)CC1 ZINC000777446447 585712560 /nfs/dbraw/zinc/71/25/60/585712560.db2.gz LWCCRFHTBZCMTG-GFCCVEGCSA-N 1 3 231.343 2.002 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782184316 585810735 /nfs/dbraw/zinc/81/07/35/585810735.db2.gz CMYOUDDLXHQEMN-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782184316 585810736 /nfs/dbraw/zinc/81/07/36/585810736.db2.gz CMYOUDDLXHQEMN-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)C2CC2)C1 ZINC000782184316 585810737 /nfs/dbraw/zinc/81/07/37/585810737.db2.gz CMYOUDDLXHQEMN-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@@H]1C[N@H+](CC2CCN(C)CC2)CCS1 ZINC000788480633 585925422 /nfs/dbraw/zinc/92/54/22/585925422.db2.gz BWBRTCIMLQIVED-CYBMUJFWSA-N 1 3 242.432 2.156 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCS1 ZINC000788480633 585925423 /nfs/dbraw/zinc/92/54/23/585925423.db2.gz BWBRTCIMLQIVED-CYBMUJFWSA-N 1 3 242.432 2.156 20 0 BEADHO CCCN(CCC[NH+](C)C)C[C@H]1CCC=CO1 ZINC000809757793 586517750 /nfs/dbraw/zinc/51/77/50/586517750.db2.gz XWBHABJJKYDWFT-CQSZACIVSA-N 1 3 240.391 2.343 20 0 BEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)C(C)(C)C ZINC000817893966 586834012 /nfs/dbraw/zinc/83/40/12/586834012.db2.gz JTOJKAKXRNSHFW-VOAKCMCISA-N 1 3 242.407 2.011 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNc1ccccc1 ZINC000817899543 586835714 /nfs/dbraw/zinc/83/57/14/586835714.db2.gz GQFQAMYZRFGJSP-UKRRQHHQSA-N 1 3 247.386 2.206 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817899543 586835716 /nfs/dbraw/zinc/83/57/16/586835716.db2.gz GQFQAMYZRFGJSP-UKRRQHHQSA-N 1 3 247.386 2.206 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000817909095 586836814 /nfs/dbraw/zinc/83/68/14/586836814.db2.gz XQTMCYBEZJNHLA-UONOGXRCSA-N 1 3 218.344 2.273 20 0 BEADHO CC[C@H](NCCC[NH3+])c1ccc2c(c1)CCCO2 ZINC000817939086 586843854 /nfs/dbraw/zinc/84/38/54/586843854.db2.gz YRQOPSQIPLSXCM-AWEZNQCLSA-N 1 3 248.370 2.401 20 0 BEADHO C[NH2+]CCN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000817954230 586848814 /nfs/dbraw/zinc/84/88/14/586848814.db2.gz XNKRMWROYARVIZ-JHJVBQTASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@@H](C)[C@H](C)[NH3+] ZINC000817978014 586861849 /nfs/dbraw/zinc/86/18/49/586861849.db2.gz TVNAYRGQLURIHY-UTLUCORTSA-N 1 3 218.410 2.232 20 0 BEADHO CCOc1cccc([C@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000817961830 586852340 /nfs/dbraw/zinc/85/23/40/586852340.db2.gz DHKHZPCIIUSOAO-RYUDHWBXSA-N 1 3 236.359 2.331 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2NC[C@H](C)C[NH3+] ZINC000817962450 586853469 /nfs/dbraw/zinc/85/34/69/586853469.db2.gz MJLITHKGROVINV-BXUZGUMPSA-N 1 3 218.344 2.167 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817979517 586861402 /nfs/dbraw/zinc/86/14/02/586861402.db2.gz LEMBSUQVMVWGGO-JSGCOSHPSA-N 1 3 218.344 2.309 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)[C@H](C)N ZINC000817977449 586862086 /nfs/dbraw/zinc/86/20/86/586862086.db2.gz KLQIUCFDJYZBMP-AXFHLTTASA-N 1 3 234.343 2.008 20 0 BEADHO CC[C@](C)(NCCC[NH3+])c1ccccc1 ZINC000841010923 587935234 /nfs/dbraw/zinc/93/52/34/587935234.db2.gz WGINNGDCMFUJFL-ZDUSSCGKSA-N 1 3 206.333 2.250 20 0 BEADHO NC1(C[NH2+]Cc2cncc3ccccc32)CCC1 ZINC000841049763 587939677 /nfs/dbraw/zinc/93/96/77/587939677.db2.gz WDKVHZPAPCCVES-UHFFFAOYSA-N 1 3 241.338 2.206 20 0 BEADHO COc1c(C)cc(C[NH2+]C[C@@H](N)C2CC2)cc1C ZINC000841051847 587940310 /nfs/dbraw/zinc/94/03/10/587940310.db2.gz ZIPDQTPMGDVQOS-CQSZACIVSA-N 1 3 248.370 2.139 20 0 BEADHO CCCCCC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841081373 587945012 /nfs/dbraw/zinc/94/50/12/587945012.db2.gz WBSALCSDINHQST-NDBYEHHHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cncc2ccccc21 ZINC000843127993 588084966 /nfs/dbraw/zinc/08/49/66/588084966.db2.gz GRGFQYNYFKDEHF-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H]1CC[C@@H]1C ZINC000845997129 588252923 /nfs/dbraw/zinc/25/29/23/588252923.db2.gz VBDZVUWRSLLURG-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO Cl/C=C\CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000846220582 588261049 /nfs/dbraw/zinc/26/10/49/588261049.db2.gz LTUAUYCYNUXNHG-KYXXQBJFSA-N 1 3 228.767 2.060 20 0 BEADHO Cl/C=C\CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000846221253 588261360 /nfs/dbraw/zinc/26/13/60/588261360.db2.gz VICACEDIOOXPKE-VHGJUTQGSA-N 1 3 228.767 2.060 20 0 BEADHO c1cc(CNCC2CC[NH+](CC3CC3)CC2)co1 ZINC000850419260 588545135 /nfs/dbraw/zinc/54/51/35/588545135.db2.gz CKFLTGMJTLLXQL-UHFFFAOYSA-N 1 3 248.370 2.491 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000862483591 589217040 /nfs/dbraw/zinc/21/70/40/589217040.db2.gz VDGQZBXKPKTUCC-UNXYVOJBSA-N 1 3 246.345 2.352 20 0 BEADHO C1C[C@@H]([NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1 ZINC000863488054 589293874 /nfs/dbraw/zinc/29/38/74/589293874.db2.gz DQEKDOYOTGQRDT-RFQIPJPRSA-N 1 3 222.376 2.297 20 0 BEADHO C[NH2+]CCCN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863558000 589299169 /nfs/dbraw/zinc/29/91/69/589299169.db2.gz UPSGBEGAVJCXIA-HRCADAONSA-N 1 3 244.382 2.331 20 0 BEADHO CNCCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863558000 589299170 /nfs/dbraw/zinc/29/91/70/589299170.db2.gz UPSGBEGAVJCXIA-HRCADAONSA-N 1 3 244.382 2.331 20 0 BEADHO CNCCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863558000 589299171 /nfs/dbraw/zinc/29/91/71/589299171.db2.gz UPSGBEGAVJCXIA-HRCADAONSA-N 1 3 244.382 2.331 20 0 BEADHO CS[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000865733263 589459243 /nfs/dbraw/zinc/45/92/43/589459243.db2.gz GSQRQQHTWZHUQP-RVMXOQNASA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000865733263 589459244 /nfs/dbraw/zinc/45/92/44/589459244.db2.gz GSQRQQHTWZHUQP-RVMXOQNASA-N 1 3 240.416 2.097 20 0 BEADHO CCc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206193 589480100 /nfs/dbraw/zinc/48/01/00/589480100.db2.gz BYVAPYLYPSMFKE-DOMZBBRYSA-N 1 3 245.370 2.174 20 0 BEADHO CCc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccn1 ZINC000866206193 589480101 /nfs/dbraw/zinc/48/01/01/589480101.db2.gz BYVAPYLYPSMFKE-DOMZBBRYSA-N 1 3 245.370 2.174 20 0 BEADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CCC(C)(C)CO1 ZINC000866661822 589508840 /nfs/dbraw/zinc/50/88/40/589508840.db2.gz VOQUJQURKJSYJN-GXTWGEPZSA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCC(C)(C)CO1 ZINC000866665318 589509514 /nfs/dbraw/zinc/50/95/14/589509514.db2.gz BFYFCVDJUCDWQM-RYUDHWBXSA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)N1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872405558 589935674 /nfs/dbraw/zinc/93/56/74/589935674.db2.gz BSIINTQBUPQQTD-UHFFFAOYSA-N 1 3 245.370 2.489 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCC[C@@H]2F)C1 ZINC000873217629 589998006 /nfs/dbraw/zinc/99/80/06/589998006.db2.gz MNCABZDSHFMZSD-WISYIIOYSA-N 1 3 214.328 2.127 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2F)C1 ZINC000873217627 589998423 /nfs/dbraw/zinc/99/84/23/589998423.db2.gz MNCABZDSHFMZSD-NOOOWODRSA-N 1 3 214.328 2.127 20 0 BEADHO COCCC1([NH2+]CCC(C)(C)C)CCNCC1 ZINC000873225339 590000648 /nfs/dbraw/zinc/00/06/48/590000648.db2.gz OTUXUSKPVDBJEA-UHFFFAOYSA-N 1 3 242.407 2.171 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])C(C)(F)F ZINC000873250700 590008422 /nfs/dbraw/zinc/00/84/22/590008422.db2.gz GXUKGUPRXWWJJB-RKDXNWHRSA-N 1 3 220.307 2.137 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])C(C)(F)F ZINC000873250697 590008518 /nfs/dbraw/zinc/00/85/18/590008518.db2.gz GXUKGUPRXWWJJB-DTWKUNHWSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccco1 ZINC000873260021 590013412 /nfs/dbraw/zinc/01/34/12/590013412.db2.gz QTNFJKUWSHEXEE-FVCCEPFGSA-N 1 3 234.343 2.461 20 0 BEADHO Cc1cc([C@H](C)N[C@H](C)C2CC[NH2+]CC2)no1 ZINC000873269046 590015437 /nfs/dbraw/zinc/01/54/37/590015437.db2.gz KGMRNJDPDQHWRY-MNOVXSKESA-N 1 3 237.347 2.022 20 0 BEADHO Cc1cc([C@H](C)N[C@@H](C)C2CC[NH2+]CC2)no1 ZINC000873271620 590016182 /nfs/dbraw/zinc/01/61/82/590016182.db2.gz KGMRNJDPDQHWRY-QWRGUYRKSA-N 1 3 237.347 2.022 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000877074128 590278347 /nfs/dbraw/zinc/27/83/47/590278347.db2.gz ZSTBVNOCRSZXFP-MCIONIFRSA-N 1 3 240.391 2.018 20 0 BEADHO CN1CC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743364 590410299 /nfs/dbraw/zinc/41/02/99/590410299.db2.gz VIQJSJHFHGUSRR-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CN1CC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21 ZINC000877743364 590410301 /nfs/dbraw/zinc/41/03/01/590410301.db2.gz VIQJSJHFHGUSRR-QWHCGFSZSA-N 1 3 224.392 2.449 20 0 BEADHO CN1CC[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743495 590410436 /nfs/dbraw/zinc/41/04/36/590410436.db2.gz WJSQAVRBSNHSPY-JKSUJKDBSA-N 1 3 244.382 2.255 20 0 BEADHO CN1CC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21 ZINC000877743495 590410439 /nfs/dbraw/zinc/41/04/39/590410439.db2.gz WJSQAVRBSNHSPY-JKSUJKDBSA-N 1 3 244.382 2.255 20 0 BEADHO C[C@@H]1C[C@H](NC2(C)CC(F)(F)C2)CC[N@H+]1C ZINC000877834314 590428845 /nfs/dbraw/zinc/42/88/45/590428845.db2.gz QFZMQZLXCZYPHG-NXEZZACHSA-N 1 3 232.318 2.247 20 0 BEADHO C[C@@H]1C[C@H](NC2(C)CC(F)(F)C2)CC[N@@H+]1C ZINC000877834314 590428844 /nfs/dbraw/zinc/42/88/44/590428844.db2.gz QFZMQZLXCZYPHG-NXEZZACHSA-N 1 3 232.318 2.247 20 0 BEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(F)CC1 ZINC000880242481 590975879 /nfs/dbraw/zinc/97/58/79/590975879.db2.gz AUBZGOKOUBFUKS-CYBMUJFWSA-N 1 3 228.355 2.295 20 0 BEADHO CC[C@@H](C)[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258903 590979433 /nfs/dbraw/zinc/97/94/33/590979433.db2.gz DTDKOFKGIJKAIV-OLZOCXBDSA-N 1 3 233.359 2.391 20 0 BEADHO CC[C@@H](C)[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880258903 590979434 /nfs/dbraw/zinc/97/94/34/590979434.db2.gz DTDKOFKGIJKAIV-OLZOCXBDSA-N 1 3 233.359 2.391 20 0 BEADHO CCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262449 590980928 /nfs/dbraw/zinc/98/09/28/590980928.db2.gz ZSKBWWGAGYOBCQ-GFCCVEGCSA-N 1 3 219.332 2.002 20 0 BEADHO CCC[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880262449 590980930 /nfs/dbraw/zinc/98/09/30/590980930.db2.gz ZSKBWWGAGYOBCQ-GFCCVEGCSA-N 1 3 219.332 2.002 20 0 BEADHO CCC[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880262449 590980934 /nfs/dbraw/zinc/98/09/34/590980934.db2.gz ZSKBWWGAGYOBCQ-GFCCVEGCSA-N 1 3 219.332 2.002 20 0 BEADHO CC1([NH+]2CCC2)CCN(CCC2CC2)CC1 ZINC000880472867 591054092 /nfs/dbraw/zinc/05/40/92/591054092.db2.gz GWLNLLPTYGGBQA-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCNCC1)C2 ZINC000129220994 591270491 /nfs/dbraw/zinc/27/04/91/591270491.db2.gz AESJTXFICXVWMF-JKSUJKDBSA-N 1 3 244.382 2.276 20 0 BEADHO C[NH2+]C[C@H]1CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883416951 591652330 /nfs/dbraw/zinc/65/23/30/591652330.db2.gz JLQUAGUJSRAHJX-VXGBXAGGSA-N 1 3 246.345 2.353 20 0 BEADHO C=C/C=C\CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883429908 591662220 /nfs/dbraw/zinc/66/22/20/591662220.db2.gz HZRJEFBBPYKIBK-NQHOJNORSA-N 1 3 220.360 2.194 20 0 BEADHO CC1(C)CCC[C@@H](CN[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000883434600 591664544 /nfs/dbraw/zinc/66/45/44/591664544.db2.gz WNJHFIHXTBHZCH-YNEHKIRRSA-N 1 3 240.391 2.194 20 0 BEADHO Cc1ccc(OCC[NH2+][C@@H]2C[C@@H](N)C2(C)C)cc1 ZINC000883442072 591669406 /nfs/dbraw/zinc/66/94/06/591669406.db2.gz DKGDNWPDNJEPRN-ZIAGYGMSSA-N 1 3 248.370 2.089 20 0 BEADHO Cc1ccccc1OCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000883441982 591669444 /nfs/dbraw/zinc/66/94/44/591669444.db2.gz BSJZBCOKXWCMMZ-KBPBESRZSA-N 1 3 248.370 2.089 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000134807669 591951227 /nfs/dbraw/zinc/95/12/27/591951227.db2.gz CYTVXHVKYVZDFE-JHJVBQTASA-N 1 3 242.432 2.344 20 0 BEADHO C[NH2+]CCC1CCN(C/C=C\Cl)CC1 ZINC000216623727 592058007 /nfs/dbraw/zinc/05/80/07/592058007.db2.gz WFQJGILKURLBHD-KXFIGUGUSA-N 1 3 216.756 2.060 20 0 BEADHO C[N@H+](CCCF)CCCN1CCCCC1 ZINC000887141390 592455504 /nfs/dbraw/zinc/45/55/04/592455504.db2.gz RCJASHUMGBDIMD-UHFFFAOYSA-N 1 3 216.344 2.154 20 0 BEADHO C[N@@H+](CCCF)CCCN1CCCCC1 ZINC000887141390 592455505 /nfs/dbraw/zinc/45/55/05/592455505.db2.gz RCJASHUMGBDIMD-UHFFFAOYSA-N 1 3 216.344 2.154 20 0 BEADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000300999290 592526654 /nfs/dbraw/zinc/52/66/54/592526654.db2.gz VNOWWHMBAZWWCX-MNOVXSKESA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300999290 592526657 /nfs/dbraw/zinc/52/66/57/592526657.db2.gz VNOWWHMBAZWWCX-MNOVXSKESA-N 1 3 232.318 2.093 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300999290 592526660 /nfs/dbraw/zinc/52/66/60/592526660.db2.gz VNOWWHMBAZWWCX-MNOVXSKESA-N 1 3 232.318 2.093 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC12CCC2)CC(F)F ZINC000925707238 634393218 /nfs/dbraw/zinc/39/32/18/634393218.db2.gz DPHFRXGCKSDVOH-UWVGGRQHSA-N 1 3 232.318 2.152 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732459 634574401 /nfs/dbraw/zinc/57/44/01/634574401.db2.gz BEGUKURZNOSUFY-STQMWFEESA-N 1 3 222.376 2.284 20 0 BEADHO C(CCC1CC1)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925735680 634586335 /nfs/dbraw/zinc/58/63/35/634586335.db2.gz WLMQHIQHSHQUQM-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO CC(C)([NH3+])CCN[C@H]1CCCc2c(O)cccc21 ZINC000925736478 634589532 /nfs/dbraw/zinc/58/95/32/634589532.db2.gz AEJIMIRKCOSBBC-ZDUSSCGKSA-N 1 3 248.370 2.487 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CCS1 ZINC000925860946 635555939 /nfs/dbraw/zinc/55/59/39/635555939.db2.gz MLFDHHIIDPJSML-XQHKEYJVSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)([NH3+])CCN[C@H]1CCc2ccccc21 ZINC000304671830 635947452 /nfs/dbraw/zinc/94/74/52/635947452.db2.gz XNEFAQCTXLBJIU-ZDUSSCGKSA-N 1 3 218.344 2.391 20 0 BEADHO COc1ccc([C@H](C)NCCC(C)(C)[NH3+])cc1 ZINC000306088104 635956430 /nfs/dbraw/zinc/95/64/30/635956430.db2.gz HXZIMAFGSISKOW-NSHDSACASA-N 1 3 236.359 2.473 20 0 BEADHO C[C@H](CC[NH2+][C@H](C)C1CC(F)(F)C1)N(C)C ZINC000895291030 636131624 /nfs/dbraw/zinc/13/16/24/636131624.db2.gz YQDMKQXVHUGFLS-NXEZZACHSA-N 1 3 234.334 2.350 20 0 BEADHO Cc1ccc(CC[NH2+]CC[C@@H](C)N(C)C)cc1 ZINC000895291922 636131995 /nfs/dbraw/zinc/13/19/95/636131995.db2.gz KFTRKMZDUMGEJS-CQSZACIVSA-N 1 3 234.387 2.467 20 0 BEADHO CC(C)CC[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328466393 633768342 /nfs/dbraw/zinc/76/83/42/633768342.db2.gz XIIMRIUWHVZLDD-UQGHGMQMSA-N 1 3 236.403 2.397 20 0 BEADHO CC[C@H](C)[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328566133 633775513 /nfs/dbraw/zinc/77/55/13/633775513.db2.gz MKQBBMCWFBZSNM-CLSQCYNNSA-N 1 3 222.376 2.007 20 0 BEADHO FCCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925677635 634270593 /nfs/dbraw/zinc/27/05/93/634270593.db2.gz XFPHPFIXFLSYBI-UONOGXRCSA-N 1 3 242.382 2.494 20 0 BEADHO Cc1cccc(CNCCC(C)(C)[NH3+])c1 ZINC000258847530 635212878 /nfs/dbraw/zinc/21/28/78/635212878.db2.gz HLRHGFXBXYOPKX-UHFFFAOYSA-N 1 3 206.333 2.212 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925772529 635213754 /nfs/dbraw/zinc/21/37/54/635213754.db2.gz IKFQXXZRABMWBB-RKQHYHRCSA-N 1 3 234.387 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CCCC[C@H]1C ZINC000925783648 635291662 /nfs/dbraw/zinc/29/16/62/635291662.db2.gz KOCIZMIMSLXSNA-PEBLQZBPSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1CN(CCCCCCC[NH3+])[C@@H](C)CO1 ZINC000223221921 635363818 /nfs/dbraw/zinc/36/38/18/635363818.db2.gz DVTBGNYSBNZVBI-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCCOCC2)c2ccccc21 ZINC000261555000 635496959 /nfs/dbraw/zinc/49/69/59/635496959.db2.gz BEQSXUGPDHYSOC-NILFDRSVSA-N 1 3 246.354 2.290 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(F)c2)C1 ZINC000086402575 636886430 /nfs/dbraw/zinc/88/64/30/636886430.db2.gz HLGJHGLYWZBHLJ-STQMWFEESA-N 1 3 222.307 2.185 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(F)cc1 ZINC000089139597 636904816 /nfs/dbraw/zinc/90/48/16/636904816.db2.gz YXLYJNRXNWEPQH-TZMCWYRMSA-N 1 3 236.334 2.433 20 0 BEADHO N[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000041027712 636951047 /nfs/dbraw/zinc/95/10/47/636951047.db2.gz KLMUQWHZPDMFFJ-ZFWWWQNUSA-N 1 3 230.355 2.487 20 0 BEADHO N[C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000041027712 636951048 /nfs/dbraw/zinc/95/10/48/636951048.db2.gz KLMUQWHZPDMFFJ-ZFWWWQNUSA-N 1 3 230.355 2.487 20 0 BEADHO CCCCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000041043328 636954607 /nfs/dbraw/zinc/95/46/07/636954607.db2.gz MDXOIWYAGHUEKA-ZDUSSCGKSA-N 1 3 212.381 2.498 20 0 BEADHO CC1(C)CCC[C@@H](C[NH2+]C2CC(N)C2)C1 ZINC000906509551 638181015 /nfs/dbraw/zinc/18/10/15/638181015.db2.gz IYUJORVIJPZOLZ-VOMCLLRMSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+]C2CC(N)C2)C1 ZINC000906510158 638183947 /nfs/dbraw/zinc/18/39/47/638183947.db2.gz OKGWCNLKCSITTF-IALDZJHCSA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H]1CCC[C@@H](C[NH2+]C2CC(N)C2)C1 ZINC000906510160 638183992 /nfs/dbraw/zinc/18/39/92/638183992.db2.gz OKGWCNLKCSITTF-ZFDZMSFRSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000930805015 639911021 /nfs/dbraw/zinc/91/10/21/639911021.db2.gz NLQPZCOVEQODIT-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000930805015 639911026 /nfs/dbraw/zinc/91/10/26/639911026.db2.gz NLQPZCOVEQODIT-CYBMUJFWSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433428 640202762 /nfs/dbraw/zinc/20/27/62/640202762.db2.gz BOAKPLVMAMDKDZ-VHDGCEQUSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](c1cccnc1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433428 640202768 /nfs/dbraw/zinc/20/27/68/640202768.db2.gz BOAKPLVMAMDKDZ-VHDGCEQUSA-N 1 3 245.370 2.026 20 0 BEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 ZINC000165424229 640575088 /nfs/dbraw/zinc/57/50/88/640575088.db2.gz HYLKQKNSKJWRHZ-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000165423814 640576266 /nfs/dbraw/zinc/57/62/66/640576266.db2.gz ROIGIPYHLYMMKM-STQMWFEESA-N 1 3 210.365 2.391 20 0 BEADHO C[N@@H+]1C[C@@H]2CN(CCCCCF)C[C@]2(C)C1 ZINC000933732367 640754901 /nfs/dbraw/zinc/75/49/01/640754901.db2.gz PDLNEYWABVJGJC-OLZOCXBDSA-N 1 3 228.355 2.010 20 0 BEADHO C[N@H+]1C[C@@H]2CN(CCCCCF)C[C@]2(C)C1 ZINC000933732367 640754906 /nfs/dbraw/zinc/75/49/06/640754906.db2.gz PDLNEYWABVJGJC-OLZOCXBDSA-N 1 3 228.355 2.010 20 0 BEADHO Cc1ccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000229064979 640919769 /nfs/dbraw/zinc/91/97/69/640919769.db2.gz HGWYNHIXNXPMCB-ZFWWWQNUSA-N 1 3 232.371 2.412 20 0 BEADHO CCC[NH+](CCC)C[C@]1(C)CCCNC1 ZINC000062861667 641100758 /nfs/dbraw/zinc/10/07/58/641100758.db2.gz PXKPUKPXBBFZCB-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO CC(C)CC[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000062862454 641101211 /nfs/dbraw/zinc/10/12/11/641101211.db2.gz JHTWXIYJAHQYRQ-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CC[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000062862454 641101213 /nfs/dbraw/zinc/10/12/13/641101213.db2.gz JHTWXIYJAHQYRQ-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862454 641101218 /nfs/dbraw/zinc/10/12/18/641101218.db2.gz JHTWXIYJAHQYRQ-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000062861644 641101298 /nfs/dbraw/zinc/10/12/98/641101298.db2.gz OZCISRRGALPMJP-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000062861644 641101302 /nfs/dbraw/zinc/10/13/02/641101302.db2.gz OZCISRRGALPMJP-QWHCGFSZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@]1(CN2CCSC(C)(C)CC2)CC[NH2+]C1 ZINC000231052902 641131189 /nfs/dbraw/zinc/13/11/89/641131189.db2.gz QGKIBKGZEVZAKE-ZDUSSCGKSA-N 1 3 242.432 2.204 20 0 BEADHO CCN(CC)CCC[NH2+]C(C)(C)CSC ZINC000934666227 641223210 /nfs/dbraw/zinc/22/32/10/641223210.db2.gz DYFWBVFWUSEEIS-UHFFFAOYSA-N 1 3 232.437 2.450 20 0 BEADHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089139321 641464210 /nfs/dbraw/zinc/46/42/10/641464210.db2.gz QWIFDXBIIXHNKU-UKRRQHHQSA-N 1 3 248.370 2.302 20 0 BEADHO CC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCC1 ZINC000233027955 642645623 /nfs/dbraw/zinc/64/56/23/642645623.db2.gz WEZYVDQDMLRODJ-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO CCN(Cc1ccccc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233486912 642674111 /nfs/dbraw/zinc/67/41/11/642674111.db2.gz LGCCPDONUZMKQH-HIFRSBDPSA-N 1 3 232.371 2.364 20 0 BEADHO CC[C@H]1COCCN1CCCCCCC[NH3+] ZINC000036326907 643144412 /nfs/dbraw/zinc/14/44/12/643144412.db2.gz VFHNVMZAAANIAZ-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO CC[C@@H]1COCCN1CCCCCCC[NH3+] ZINC000036326905 643145952 /nfs/dbraw/zinc/14/59/52/643145952.db2.gz VFHNVMZAAANIAZ-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO C[C@H]1C[C@H]([N@H+](C)Cc2ccoc2)CCN1C ZINC000093644820 643338340 /nfs/dbraw/zinc/33/83/40/643338340.db2.gz HPWGCJQESPUINC-WCQYABFASA-N 1 3 222.332 2.194 20 0 BEADHO C[C@H]1C[C@H]([N@@H+](C)Cc2ccoc2)CCN1C ZINC000093644820 643338345 /nfs/dbraw/zinc/33/83/45/643338345.db2.gz HPWGCJQESPUINC-WCQYABFASA-N 1 3 222.332 2.194 20 0 BEADHO Cc1ncsc1CN(C)CCCCCC[NH3+] ZINC000082633723 643357449 /nfs/dbraw/zinc/35/74/49/643357449.db2.gz RGWQUOCQSDRYNY-UHFFFAOYSA-N 1 3 241.404 2.402 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@H+](CCCNC2CC2)C1 ZINC000084046567 643642969 /nfs/dbraw/zinc/64/29/69/643642969.db2.gz MXNKIBCQPHNFAG-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@@H](C)[N@@H+](CCCNC2CC2)C1 ZINC000084046567 643642978 /nfs/dbraw/zinc/64/29/78/643642978.db2.gz MXNKIBCQPHNFAG-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1CC[C@@H](C)N(CCC[NH2+]C2CC2)C1 ZINC000084046567 643642985 /nfs/dbraw/zinc/64/29/85/643642985.db2.gz MXNKIBCQPHNFAG-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000084216482 643651378 /nfs/dbraw/zinc/65/13/78/643651378.db2.gz DKIKJVKJVORTIV-STQMWFEESA-N 1 3 238.400 2.398 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245505 643662068 /nfs/dbraw/zinc/66/20/68/643662068.db2.gz AXCCSGLZYHMTOD-CHWSQXEVSA-N 1 3 218.344 2.071 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245505 643662072 /nfs/dbraw/zinc/66/20/72/643662072.db2.gz AXCCSGLZYHMTOD-CHWSQXEVSA-N 1 3 218.344 2.071 20 0 BEADHO CCC[N@@H+]1CC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000194261423 644311907 /nfs/dbraw/zinc/31/19/07/644311907.db2.gz SGNLVVLKHPCFDX-KGLIPLIRSA-N 1 3 238.375 2.001 20 0 BEADHO CCC[N@H+]1CC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000194261423 644311915 /nfs/dbraw/zinc/31/19/15/644311915.db2.gz SGNLVVLKHPCFDX-KGLIPLIRSA-N 1 3 238.375 2.001 20 0 BEADHO CCCCCC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294801 644331694 /nfs/dbraw/zinc/33/16/94/644331694.db2.gz QARUHDPJBQURNT-ZDUSSCGKSA-N 1 3 244.423 2.234 20 0 BEADHO CCCCCC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923367249 644377449 /nfs/dbraw/zinc/37/74/49/644377449.db2.gz DRCGRCFVOQQYEG-QWHCGFSZSA-N 1 3 244.423 2.281 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CN1CC1CCC2(CC2)CC1 ZINC000923411285 644415175 /nfs/dbraw/zinc/41/51/75/644415175.db2.gz BZSHAZHMAKUXQQ-YPMHNXCESA-N 1 3 222.376 2.378 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC1)C1CCCCC1 ZINC000086729799 644471076 /nfs/dbraw/zinc/47/10/76/644471076.db2.gz OYFNLPWBFHJAMN-OLZOCXBDSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521428 644482578 /nfs/dbraw/zinc/48/25/78/644482578.db2.gz UAEUXYYFTDKJAN-JKSUJKDBSA-N 1 3 244.382 2.345 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923534210 644490641 /nfs/dbraw/zinc/49/06/41/644490641.db2.gz RNVGWFNPDIKXFZ-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923534210 644490644 /nfs/dbraw/zinc/49/06/44/644490644.db2.gz RNVGWFNPDIKXFZ-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO CCC[N@@H+]1CC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000249035451 644709579 /nfs/dbraw/zinc/70/95/79/644709579.db2.gz SGNLVVLKHPCFDX-ZIAGYGMSSA-N 1 3 238.375 2.001 20 0 BEADHO CCC[N@H+]1CC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000249035451 644709582 /nfs/dbraw/zinc/70/95/82/644709582.db2.gz SGNLVVLKHPCFDX-ZIAGYGMSSA-N 1 3 238.375 2.001 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C[C@H]1C ZINC000253068704 644933605 /nfs/dbraw/zinc/93/36/05/644933605.db2.gz KZPNGGIIRSSJII-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1C ZINC000253068704 644933615 /nfs/dbraw/zinc/93/36/15/644933615.db2.gz KZPNGGIIRSSJII-MGPQQGTHSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925482024 645861630 /nfs/dbraw/zinc/86/16/30/645861630.db2.gz PTWDJZVVQCONPX-FHUSYTEZSA-N 1 3 222.376 2.009 20 0 BEADHO CC[NH+](CC)CCCN[C@H](C)Cc1ccccn1 ZINC000924530068 646049911 /nfs/dbraw/zinc/04/99/11/646049911.db2.gz ZIEABMYNCPCFNP-CQSZACIVSA-N 1 3 249.402 2.334 20 0 BEADHO CSCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925501786 646303467 /nfs/dbraw/zinc/30/34/67/646303467.db2.gz CATFKPUCQAAHJL-OLZOCXBDSA-N 1 3 242.432 2.107 20 0 BEADHO C([NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000925535038 646322309 /nfs/dbraw/zinc/32/23/09/646322309.db2.gz BBCVLLJUXFRRNN-KGLIPLIRSA-N 1 3 222.376 2.154 20 0 BEADHO Cc1cncc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925629719 646374489 /nfs/dbraw/zinc/37/44/89/646374489.db2.gz NLSKUEAOQWTIMX-KGLIPLIRSA-N 1 3 247.386 2.386 20 0 BEADHO CS[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000925637741 646380166 /nfs/dbraw/zinc/38/01/66/646380166.db2.gz QWPBZPVLUFSIRP-IJLUTSLNSA-N 1 3 244.448 2.494 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NC2CC(F)(F)C2)C1 ZINC000925651484 646392465 /nfs/dbraw/zinc/39/24/65/646392465.db2.gz DKHKASJHYIMKGR-IUCAKERBSA-N 1 3 232.318 2.280 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925661192 646395831 /nfs/dbraw/zinc/39/58/31/646395831.db2.gz BTMKVJPLHCYWKK-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCF ZINC000925674922 646400076 /nfs/dbraw/zinc/40/00/76/646400076.db2.gz FLLFWVUXEKJVNA-SRVKXCTJSA-N 1 3 228.355 2.102 20 0 BEADHO CC(C)C1([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925677447 646407042 /nfs/dbraw/zinc/40/70/42/646407042.db2.gz QCGKLMYUQCEVDU-NSHDSACASA-N 1 3 208.349 2.049 20 0 BEADHO CC(C)C1([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925677446 646407695 /nfs/dbraw/zinc/40/76/95/646407695.db2.gz QCGKLMYUQCEVDU-LLVKDONJSA-N 1 3 208.349 2.049 20 0 BEADHO CC1(C)C[C@@H]1[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925684928 646410644 /nfs/dbraw/zinc/41/06/44/646410644.db2.gz DYVPEKBFGUIYSW-RHYQMDGZSA-N 1 3 222.376 2.151 20 0 BEADHO CC1(C)C[C@@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925684928 646410648 /nfs/dbraw/zinc/41/06/48/646410648.db2.gz DYVPEKBFGUIYSW-RHYQMDGZSA-N 1 3 222.376 2.151 20 0 BEADHO CC1(C)[C@H](NCC2=CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925707038 646431181 /nfs/dbraw/zinc/43/11/81/646431181.db2.gz MZHTXAUPCVVPGU-HZSPNIEDSA-N 1 3 234.387 2.463 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCC[C@H]2C[C@H]21 ZINC000925708294 646432206 /nfs/dbraw/zinc/43/22/06/646432206.db2.gz KPBWJDUKMZSCPP-REWJHTLYSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1C[C@H]1C1CCC1 ZINC000925711084 646436997 /nfs/dbraw/zinc/43/69/97/646436997.db2.gz WUEVZGNLMULSAK-NLWNOMGPSA-N 1 3 246.398 2.009 20 0 BEADHO CC1(C)C[C@]1(C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716878 646440999 /nfs/dbraw/zinc/44/09/99/646440999.db2.gz RNXWKDPQJZVJPT-NHCYSSNCSA-N 1 3 208.349 2.035 20 0 BEADHO C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCC12CC2 ZINC000925719849 646444430 /nfs/dbraw/zinc/44/44/30/646444430.db2.gz VCOAQCMNTCYTKY-OLZOCXBDSA-N 1 3 234.387 2.441 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1CCCC12CC2 ZINC000925719849 646444434 /nfs/dbraw/zinc/44/44/34/646444434.db2.gz VCOAQCMNTCYTKY-OLZOCXBDSA-N 1 3 234.387 2.441 20 0 BEADHO C(C[C@H]1CCSC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000925724803 646450022 /nfs/dbraw/zinc/45/00/22/646450022.db2.gz NFKSQEZRYFVIGK-NWDGAFQWSA-N 1 3 240.416 2.004 20 0 BEADHO C[C@@H](NC[C@@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000925731527 646455484 /nfs/dbraw/zinc/45/54/84/646455484.db2.gz LTDYEMPQCXLTDJ-UPJWGTAASA-N 1 3 208.349 2.073 20 0 BEADHO FC1(F)CCC[C@@H]1CC[NH2+]C1CCNCC1 ZINC000925735808 646461065 /nfs/dbraw/zinc/46/10/65/646461065.db2.gz ILSGHPXHEAPYOW-SNVBAGLBSA-N 1 3 232.318 2.154 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC12CCCC2 ZINC000925781590 646476640 /nfs/dbraw/zinc/47/66/40/646476640.db2.gz AYRLHXILZCXZHN-JHJVBQTASA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000925782441 646478942 /nfs/dbraw/zinc/47/89/42/646478942.db2.gz GMPHLOCSBCCGAV-IRCOFANPSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CC1(C)C ZINC000925782479 646479015 /nfs/dbraw/zinc/47/90/15/646479015.db2.gz GPTYSDYTAUYRCA-DDHJBXDOSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000925782447 646479767 /nfs/dbraw/zinc/47/97/67/646479767.db2.gz GMPHLOCSBCCGAV-WISYIIOYSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000925790636 646485306 /nfs/dbraw/zinc/48/53/06/646485306.db2.gz JKBBQJIJLFHNJY-INWMFGNUSA-N 1 3 244.382 2.427 20 0 BEADHO C(C[C@@H]1CC[C@H]2C[C@H]21)[NH2+][C@H]1CCNC12CCC2 ZINC000925806260 646488786 /nfs/dbraw/zinc/48/87/86/646488786.db2.gz ZFSUKOPJOWWSDE-XUXIUFHCSA-N 1 3 234.387 2.297 20 0 BEADHO C(C[C@@H]1CC[C@@H]2C[C@@H]21)[NH2+][C@H]1CCNC12CCC2 ZINC000925806258 646488861 /nfs/dbraw/zinc/48/88/61/646488861.db2.gz ZFSUKOPJOWWSDE-DGAVXFQQSA-N 1 3 234.387 2.297 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@]12C[C@@H]1CCCC2 ZINC000925802639 646489171 /nfs/dbraw/zinc/48/91/71/646489171.db2.gz PIKWHFJOGRRFBW-BFHYXJOUSA-N 1 3 234.387 2.441 20 0 BEADHO C([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1CNC1 ZINC000723659716 711531887 /nfs/dbraw/zinc/53/18/87/711531887.db2.gz VMXVIGOOHJIIJV-MGPQQGTHSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)CN(C)C ZINC000926474042 646653737 /nfs/dbraw/zinc/65/37/37/646653737.db2.gz NQAKDHNFRMIUOQ-FQUUOJAGSA-N 1 3 222.376 2.128 20 0 BEADHO C[C@H](NCCC1CC=CC1)[C@@H]1CCCC[NH2+]1 ZINC000724202161 711569992 /nfs/dbraw/zinc/56/99/92/711569992.db2.gz KHSIIVFFKPGGOB-JSGCOSHPSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)CN(C)C ZINC000382229754 711643130 /nfs/dbraw/zinc/64/31/30/711643130.db2.gz GTHQVJKOIQDLBG-GFJIZPEISA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC2CCC1CC2)CN(C)C ZINC000382229755 711643348 /nfs/dbraw/zinc/64/33/48/711643348.db2.gz GTHQVJKOIQDLBG-RYSNWHEDSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1(Cl)CC1 ZINC000700807817 711852491 /nfs/dbraw/zinc/85/24/91/711852491.db2.gz DTQDNPZOADJTOQ-VXGBXAGGSA-N 1 3 244.810 2.468 20 0 BEADHO CN(C[C@H]1CC(C)(C)OC1(C)C)C1CC([NH3+])C1 ZINC000709702367 712216124 /nfs/dbraw/zinc/21/61/24/712216124.db2.gz MZSVBXPEYHYKGS-VOMCLLRMSA-N 1 3 240.391 2.002 20 0 BEADHO CCCCOCC[N@@H+]1CCNCCC12CCC2 ZINC000713159216 712453535 /nfs/dbraw/zinc/45/35/35/712453535.db2.gz SSMGXRXGIMHHDH-UHFFFAOYSA-N 1 3 240.391 2.021 20 0 BEADHO CCCCOCC[N@H+]1CCNCCC12CCC2 ZINC000713159216 712453536 /nfs/dbraw/zinc/45/35/36/712453536.db2.gz SSMGXRXGIMHHDH-UHFFFAOYSA-N 1 3 240.391 2.021 20 0 BEADHO CCCCCN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720809505 712866944 /nfs/dbraw/zinc/86/69/44/712866944.db2.gz ZVYWWTYZEJTZFG-UWVGGRQHSA-N 1 3 238.297 2.246 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CCC[C@H](C)C2)C[C@H]1[NH3+] ZINC000723469763 710727881 /nfs/dbraw/zinc/72/78/81/710727881.db2.gz IALMBPNPHJGOON-UMSGYPCISA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@H](C)CC[N@H+](CCCNC2CC2)C1 ZINC000723808554 710729721 /nfs/dbraw/zinc/72/97/21/710729721.db2.gz LARNAIMKZFOVRQ-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1C[C@H](C)CC[N@@H+](CCCNC2CC2)C1 ZINC000723808554 710729727 /nfs/dbraw/zinc/72/97/27/710729727.db2.gz LARNAIMKZFOVRQ-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CCc1nc(CNCCCCCC[NH3+])cs1 ZINC000382032070 710767205 /nfs/dbraw/zinc/76/72/05/710767205.db2.gz UPFNVMNDDCLSKA-UHFFFAOYSA-N 1 3 241.404 2.314 20 0 BEADHO CCN1CC[C@@H](C[NH2+]C[C@]2(C)CCCS2)C1 ZINC000382099360 710776087 /nfs/dbraw/zinc/77/60/87/710776087.db2.gz BEMFWOOQCJTESA-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1(C2CC2)CCC1 ZINC000391420723 711138592 /nfs/dbraw/zinc/13/85/92/711138592.db2.gz DBSRRJZQBTWQAE-RCZQDCHWSA-N 1 3 246.398 2.153 20 0 BEADHO CC(C)(C)CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392832582 711153537 /nfs/dbraw/zinc/15/35/37/711153537.db2.gz IILKKDWLCJDWNA-JZRPKSSGSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CCCC2CC2)C1 ZINC000394570136 711195517 /nfs/dbraw/zinc/19/55/17/711195517.db2.gz PQGKZNXIUAZUQK-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570136 711195519 /nfs/dbraw/zinc/19/55/19/711195519.db2.gz PQGKZNXIUAZUQK-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000399010444 711418574 /nfs/dbraw/zinc/41/85/74/711418574.db2.gz AOJKZDOANIEESG-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@]1(C)CCCNC1 ZINC000399010444 711418578 /nfs/dbraw/zinc/41/85/78/711418578.db2.gz AOJKZDOANIEESG-MJBXVCDLSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCCN(C)CC[C@H]1CC1(Cl)Cl ZINC000399262835 711426260 /nfs/dbraw/zinc/42/62/60/711426260.db2.gz PQMUJGDFTHYXPC-VIFPVBQESA-N 1 3 239.190 2.112 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@H+](CCCC2CC2)C1 ZINC000394570134 711195145 /nfs/dbraw/zinc/19/51/45/711195145.db2.gz PQGKZNXIUAZUQK-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570134 711195147 /nfs/dbraw/zinc/19/51/47/711195147.db2.gz PQGKZNXIUAZUQK-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CCCC2CC2)C1 ZINC000394570132 711195257 /nfs/dbraw/zinc/19/52/57/711195257.db2.gz PQGKZNXIUAZUQK-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000394570132 711195259 /nfs/dbraw/zinc/19/52/59/711195259.db2.gz PQGKZNXIUAZUQK-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1csc(CNCCCCCC[NH3+])n1 ZINC000049539113 711448765 /nfs/dbraw/zinc/44/87/65/711448765.db2.gz HPJRRJZTNAIMIP-UHFFFAOYSA-N 1 3 227.377 2.060 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000723106502 711504276 /nfs/dbraw/zinc/50/42/76/711504276.db2.gz MOFQPXWZTMTOCU-RDBSUJKOSA-N 1 3 222.376 2.108 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000723106502 711504278 /nfs/dbraw/zinc/50/42/78/711504278.db2.gz MOFQPXWZTMTOCU-RDBSUJKOSA-N 1 3 222.376 2.108 20 0 BEADHO C([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CNC1 ZINC000723659953 711532182 /nfs/dbraw/zinc/53/21/82/711532182.db2.gz VMXVIGOOHJIIJV-MJBXVCDLSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2C)C[C@H]1CN ZINC000723862702 711539788 /nfs/dbraw/zinc/53/97/88/711539788.db2.gz QSJAIXGKHHEXPK-REWJHTLYSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2C)C[C@H]1CN ZINC000723862702 711539790 /nfs/dbraw/zinc/53/97/90/711539790.db2.gz QSJAIXGKHHEXPK-REWJHTLYSA-N 1 3 224.392 2.339 20 0 BEADHO NCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000225141762 711827530 /nfs/dbraw/zinc/82/75/30/711827530.db2.gz VFIPEGQHDKRVGD-JHJVBQTASA-N 1 3 210.365 2.284 20 0 BEADHO C[C@]1(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCCNC1 ZINC000382942934 711834553 /nfs/dbraw/zinc/83/45/53/711834553.db2.gz JOESDMIVUSTGTC-ZNMIVQPWSA-N 1 3 234.387 2.274 20 0 BEADHO C[C@]1(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCCNC1 ZINC000382942934 711834554 /nfs/dbraw/zinc/83/45/54/711834554.db2.gz JOESDMIVUSTGTC-ZNMIVQPWSA-N 1 3 234.387 2.274 20 0 BEADHO C[C@H](NCC[C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000704777787 711892099 /nfs/dbraw/zinc/89/20/99/711892099.db2.gz VKZNJWIWFXPVHS-AVGNSLFASA-N 1 3 242.432 2.250 20 0 BEADHO C[NH2+]CCC1CCN(C/C=C/Cl)CC1 ZINC000069730601 711893878 /nfs/dbraw/zinc/89/38/78/711893878.db2.gz WFQJGILKURLBHD-QHHAFSJGSA-N 1 3 216.756 2.060 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1(Cl)CC1 ZINC000700807807 712006328 /nfs/dbraw/zinc/00/63/28/712006328.db2.gz DTQDNPZOADJTOQ-NEPJUHHUSA-N 1 3 244.810 2.468 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(C)CC1(C)C ZINC000701943823 712032509 /nfs/dbraw/zinc/03/25/09/712032509.db2.gz LPQWDNSXZOUIJP-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@]1(C)CC1(C)C ZINC000701943817 712032810 /nfs/dbraw/zinc/03/28/10/712032810.db2.gz LPQWDNSXZOUIJP-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](CC[NH2+][C@@H]1CCCC12CC2)N(C)C ZINC000706614983 712151068 /nfs/dbraw/zinc/15/10/68/712151068.db2.gz MSQHNQAZLMHSKW-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO CSC1CC([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000706918573 712158512 /nfs/dbraw/zinc/15/85/12/712158512.db2.gz PWVKSLCYNMCZAA-PNESKVBLSA-N 1 3 242.432 2.202 20 0 BEADHO C[C@@H](C[N@@H+]1CC[C@@H](CN)C1)CC(C)(C)C ZINC000709120939 712209205 /nfs/dbraw/zinc/20/92/05/712209205.db2.gz BADAMCPPXGMCIS-NEPJUHHUSA-N 1 3 212.381 2.339 20 0 BEADHO C[C@@H](C[N@H+]1CC[C@@H](CN)C1)CC(C)(C)C ZINC000709120939 712209206 /nfs/dbraw/zinc/20/92/06/712209206.db2.gz BADAMCPPXGMCIS-NEPJUHHUSA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709795476 712227273 /nfs/dbraw/zinc/22/72/73/712227273.db2.gz RAOPMJCQJXMOQS-NXEZZACHSA-N 1 3 238.297 2.102 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)N(C)C ZINC000710931259 712266218 /nfs/dbraw/zinc/26/62/18/712266218.db2.gz QINSFXWXPNBOSZ-IGQOVBAYSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H]1CSCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000379538598 712387818 /nfs/dbraw/zinc/38/78/18/712387818.db2.gz DRSYCTADWCUIAM-OLZOCXBDSA-N 1 3 242.432 2.061 20 0 BEADHO C[C@H]1CSCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000379538598 712387819 /nfs/dbraw/zinc/38/78/19/712387819.db2.gz DRSYCTADWCUIAM-OLZOCXBDSA-N 1 3 242.432 2.061 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 ZINC000379780125 712398766 /nfs/dbraw/zinc/39/87/66/712398766.db2.gz BVGPYLXRIIYPNG-UPJWGTAASA-N 1 3 210.365 2.105 20 0 BEADHO CN(C[C@@H]1CCC2(CCC2)O1)CC(C)(C)C[NH3+] ZINC000712437662 712429668 /nfs/dbraw/zinc/42/96/68/712429668.db2.gz KDLFJPGNFGKVPW-LBPRGKRZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1N ZINC000714351304 712483516 /nfs/dbraw/zinc/48/35/16/712483516.db2.gz YRIDXYSOIDXIMO-VXGBXAGGSA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@H]1N ZINC000714351304 712483518 /nfs/dbraw/zinc/48/35/18/712483518.db2.gz YRIDXYSOIDXIMO-VXGBXAGGSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCCC(C)(C)O2)CC[C@@H]1[NH3+] ZINC000714368285 712484091 /nfs/dbraw/zinc/48/40/91/712484091.db2.gz LXBMOZOZVGYZEX-UPJWGTAASA-N 1 3 240.391 2.003 20 0 BEADHO CC(C)(C[NH3+])C1CCN(C/C=C\Cl)CC1 ZINC000714414305 712485551 /nfs/dbraw/zinc/48/55/51/712485551.db2.gz SNESLANGRUDWPD-UTCJRWHESA-N 1 3 230.783 2.436 20 0 BEADHO CC(C)(C[NH3+])C1CCN(C/C=C/Cl)CC1 ZINC000714414307 712485793 /nfs/dbraw/zinc/48/57/93/712485793.db2.gz SNESLANGRUDWPD-ZZXKWVIFSA-N 1 3 230.783 2.436 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)NCc1cc[nH]n1 ZINC000036900037 712513295 /nfs/dbraw/zinc/51/32/95/712513295.db2.gz AEBLOLAIKFKZGV-GFCCVEGCSA-N 1 3 238.379 2.010 20 0 BEADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)OC ZINC000715532494 712526061 /nfs/dbraw/zinc/52/60/61/712526061.db2.gz MLNDFDKCAGEFDD-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CCC[C@H](CN[C@@H]1CCC[C@@H]([NH+](C)C)C1)OC ZINC000715532494 712526063 /nfs/dbraw/zinc/52/60/63/712526063.db2.gz MLNDFDKCAGEFDD-MGPQQGTHSA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@](C)(C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)OC ZINC000715543930 712527235 /nfs/dbraw/zinc/52/72/35/712527235.db2.gz OSFVEERIKZPQLK-BFHYXJOUSA-N 1 3 242.407 2.264 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCCC2CC2)C1 ZINC000813335342 712587786 /nfs/dbraw/zinc/58/77/86/712587786.db2.gz AHENPZUPACKVIL-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCCC2CC2)C1 ZINC000813335342 712587787 /nfs/dbraw/zinc/58/77/87/712587787.db2.gz AHENPZUPACKVIL-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)c2ccccc21 ZINC000380030304 712683152 /nfs/dbraw/zinc/68/31/52/712683152.db2.gz YVCMSVADYWBNMR-GLQYFDAESA-N 1 3 244.338 2.414 20 0 BEADHO C1=CCCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000718097838 712742733 /nfs/dbraw/zinc/74/27/33/712742733.db2.gz LSIOTDZKJQJJMA-RCZQDCHWSA-N 1 3 232.371 2.071 20 0 BEADHO CCCC[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000037997636 712798122 /nfs/dbraw/zinc/79/81/22/712798122.db2.gz KAHJELKYVBWVFM-CYBMUJFWSA-N 1 3 212.381 2.498 20 0 BEADHO C[C@@H](C[NH2+]CC1CC1)CN1CCCCC1 ZINC000038041988 712801405 /nfs/dbraw/zinc/80/14/05/712801405.db2.gz MEKDJBVVIVXABN-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+]C1CCCCCC1 ZINC000720779078 712865493 /nfs/dbraw/zinc/86/54/93/712865493.db2.gz FLNCCTGARQNACD-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CCN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720806744 712866801 /nfs/dbraw/zinc/86/68/01/712866801.db2.gz RAOPMJCQJXMOQS-ZJUUUORDSA-N 1 3 238.297 2.102 20 0 BEADHO [NH3+]C[C@H]1CN(CC2CC=CC2)C[C@H]1C(F)(F)F ZINC000720878444 712873004 /nfs/dbraw/zinc/87/30/04/712873004.db2.gz SRFYJVGKYQQGQN-WDEREUQCSA-N 1 3 248.292 2.022 20 0 BEADHO C[NH+](C)[C@H]1CCCN(c2nccc3[nH]ccc32)C1 ZINC000647866492 721886368 /nfs/dbraw/zinc/88/63/68/721886368.db2.gz XBHJNCCYRJONFW-NSHDSACASA-N 1 3 244.342 2.093 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CC3(C2)CCCC3)C1 ZINC001208608175 957089581 /nfs/dbraw/zinc/08/95/81/957089581.db2.gz QYBFPXUGGSZWOB-ZDUSSCGKSA-N 1 3 222.376 2.204 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CC3(C2)CCCC3)C1 ZINC001208608175 957089597 /nfs/dbraw/zinc/08/95/97/957089597.db2.gz QYBFPXUGGSZWOB-ZDUSSCGKSA-N 1 3 222.376 2.204 20 0 BEADHO CC(C)CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708863860 959985556 /nfs/dbraw/zinc/98/55/56/959985556.db2.gz QOQCBHPDWUPNRH-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708863860 959985563 /nfs/dbraw/zinc/98/55/63/959985563.db2.gz QOQCBHPDWUPNRH-RWMBFGLXSA-N 1 3 212.381 2.338 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](CC2CC2)C2CC2)CCN1 ZINC000709465058 960608800 /nfs/dbraw/zinc/60/88/00/960608800.db2.gz NTKHILQHDOVNNL-MFKMUULPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](CC2CC2)C2CC2)CCN1 ZINC000709465058 960608810 /nfs/dbraw/zinc/60/88/10/960608810.db2.gz NTKHILQHDOVNNL-MFKMUULPSA-N 1 3 208.349 2.001 20 0 BEADHO CCCC[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000697868673 964596119 /nfs/dbraw/zinc/59/61/19/964596119.db2.gz CKOTXFUXPXHAKE-NWDGAFQWSA-N 1 3 200.370 2.495 20 0 BEADHO [NH3+]C[C@@H]1CN(C[C@H]2CC=CCC2)CCC1(F)F ZINC001205736242 967807864 /nfs/dbraw/zinc/80/78/64/967807864.db2.gz WVULZPXPEZYLIN-NWDGAFQWSA-N 1 3 244.329 2.259 20 0 BEADHO C[C@H](Cc1cccs1)[N@H+](C)CC(C)(C)N ZINC000086442206 1165972921 /nfs/dbraw/zinc/97/29/21/1165972921.db2.gz XGTURAZEEUFJCY-SNVBAGLBSA-N 1 3 226.389 2.348 20 0 BEADHO C[C@H](Cc1cccs1)[N@@H+](C)CC(C)(C)N ZINC000086442206 1165972927 /nfs/dbraw/zinc/97/29/27/1165972927.db2.gz XGTURAZEEUFJCY-SNVBAGLBSA-N 1 3 226.389 2.348 20 0 BEADHO CC/C=C\CC[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206760700 968457999 /nfs/dbraw/zinc/45/79/99/968457999.db2.gz KKTYOKBSRVBHOX-OEFFGFFESA-N 1 3 210.365 2.402 20 0 BEADHO CC/C=C\CC[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC001206760700 968458003 /nfs/dbraw/zinc/45/80/03/968458003.db2.gz KKTYOKBSRVBHOX-OEFFGFFESA-N 1 3 210.365 2.402 20 0 BEADHO Cc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC000075144789 1165998038 /nfs/dbraw/zinc/99/80/38/1165998038.db2.gz MVRXJEUNAKMTQN-AWEZNQCLSA-N 1 3 218.344 2.308 20 0 BEADHO C[C@H]1C[C@@H](CF)[N@H+](CC(C)(C)CN(C)C)C1 ZINC001207276000 968713372 /nfs/dbraw/zinc/71/33/72/968713372.db2.gz RWCOOTYKLQEBQY-RYUDHWBXSA-N 1 3 230.371 2.254 20 0 BEADHO C[C@H]1C[C@@H](CF)[N@@H+](CC(C)(C)CN(C)C)C1 ZINC001207276000 968713383 /nfs/dbraw/zinc/71/33/83/968713383.db2.gz RWCOOTYKLQEBQY-RYUDHWBXSA-N 1 3 230.371 2.254 20 0 BEADHO CC1(C)CC[C@@H](NC[C@@]2(C)CCC[NH2+]2)C1 ZINC000129509792 1166197460 /nfs/dbraw/zinc/19/74/60/1166197460.db2.gz VGMOPPOWLYQCAH-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CN(C[C@H]2CCC[N@H+](C)C2)CCC1(F)F ZINC001208609275 969147042 /nfs/dbraw/zinc/14/70/42/969147042.db2.gz ZYJZLEJZRJHNIO-RYUDHWBXSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@H]1CN(C[C@H]2CCC[N@@H+](C)C2)CCC1(F)F ZINC001208609275 969147049 /nfs/dbraw/zinc/14/70/49/969147049.db2.gz ZYJZLEJZRJHNIO-RYUDHWBXSA-N 1 3 246.345 2.305 20 0 BEADHO CSCC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000228916690 1166266716 /nfs/dbraw/zinc/26/67/16/1166266716.db2.gz HLXBFOXGUZOQHW-GFCCVEGCSA-N 1 3 230.421 2.204 20 0 BEADHO CO[C@@H]1CCC[C@H]([N@H+](CCCN)C(C)C)C1 ZINC000226539041 1166288202 /nfs/dbraw/zinc/28/82/02/1166288202.db2.gz FCPFWIUHKPLWFT-QWHCGFSZSA-N 1 3 228.380 2.003 20 0 BEADHO CO[C@@H]1CCC[C@H]([N@@H+](CCCN)C(C)C)C1 ZINC000226539041 1166288210 /nfs/dbraw/zinc/28/82/10/1166288210.db2.gz FCPFWIUHKPLWFT-QWHCGFSZSA-N 1 3 228.380 2.003 20 0 BEADHO C[C@H]1C[C@H]([N@H+](C)CCCN)CC(C)(C)C1 ZINC000227741945 1166307346 /nfs/dbraw/zinc/30/73/46/1166307346.db2.gz JKIWMZIRWASWGS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@H]([N@@H+](C)CCCN)CC(C)(C)C1 ZINC000227741945 1166307350 /nfs/dbraw/zinc/30/73/50/1166307350.db2.gz JKIWMZIRWASWGS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCCCC[C@H]2C)CCN1 ZINC000252952867 1166448560 /nfs/dbraw/zinc/44/85/60/1166448560.db2.gz PWCBBFFZNBJJBI-JHJVBQTASA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCCCC[C@H]2C)CCN1 ZINC000252952867 1166448564 /nfs/dbraw/zinc/44/85/64/1166448564.db2.gz PWCBBFFZNBJJBI-JHJVBQTASA-N 1 3 210.365 2.391 20 0 BEADHO CN1CCC[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516152 969691077 /nfs/dbraw/zinc/69/10/77/969691077.db2.gz JGJREURBUPRARP-CHWSQXEVSA-N 1 3 228.355 2.295 20 0 BEADHO CN1CCC[C@@H]([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001254516152 969691081 /nfs/dbraw/zinc/69/10/81/969691081.db2.gz JGJREURBUPRARP-CHWSQXEVSA-N 1 3 228.355 2.295 20 0 BEADHO CC[N@@H+](Cc1ccccc1)C[C@H](N)CC(F)F ZINC000306899283 1166507867 /nfs/dbraw/zinc/50/78/67/1166507867.db2.gz ZVFXNEBHCWKROX-GFCCVEGCSA-N 1 3 242.313 2.491 20 0 BEADHO CC[N@H+](Cc1ccccc1)C[C@H](N)CC(F)F ZINC000306899283 1166507875 /nfs/dbraw/zinc/50/78/75/1166507875.db2.gz ZVFXNEBHCWKROX-GFCCVEGCSA-N 1 3 242.313 2.491 20 0 BEADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)C1(Cl)CC1 ZINC000695665911 1166663333 /nfs/dbraw/zinc/66/33/33/1166663333.db2.gz FFLQEXAOHNDWED-UWVGGRQHSA-N 1 3 218.772 2.076 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CCCC(F)(F)F)CCN1 ZINC000709317850 1166690918 /nfs/dbraw/zinc/69/09/18/1166690918.db2.gz HKOODRKZLQFAAN-DTWKUNHWSA-N 1 3 224.270 2.059 20 0 BEADHO C[C@@H]1CC[C@@H]([NH+]2CCC3(CN(C)C3)CC2)C1 ZINC001170152940 970465305 /nfs/dbraw/zinc/46/53/05/970465305.db2.gz YGUNCFNNKPJRDL-CHWSQXEVSA-N 1 3 222.376 2.203 20 0 BEADHO CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCCNC2)C1 ZINC000228080226 1166750545 /nfs/dbraw/zinc/75/05/45/1166750545.db2.gz YSNBNHRHEXZVCQ-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](C)C[N@H+]1CCC[C@@]2(CCCNC2)C1 ZINC000228080226 1166750554 /nfs/dbraw/zinc/75/05/54/1166750554.db2.gz YSNBNHRHEXZVCQ-UONOGXRCSA-N 1 3 224.392 2.498 20 0 BEADHO CCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000233225664 1166775960 /nfs/dbraw/zinc/77/59/60/1166775960.db2.gz DTUZQCDTTRGJRD-AGUYFDCRSA-N 1 3 240.391 2.018 20 0 BEADHO CCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000233225664 1166775967 /nfs/dbraw/zinc/77/59/67/1166775967.db2.gz DTUZQCDTTRGJRD-AGUYFDCRSA-N 1 3 240.391 2.018 20 0 BEADHO NC1CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000400139481 970558280 /nfs/dbraw/zinc/55/82/80/970558280.db2.gz ZSLHDVRUOQQWDK-WXRRBKDZSA-N 1 3 222.376 2.236 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC001255941000 970570746 /nfs/dbraw/zinc/57/07/46/970570746.db2.gz LDMKNHPDPUEEAM-MCIONIFRSA-N 1 3 242.407 2.121 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001255944172 970575560 /nfs/dbraw/zinc/57/55/60/970575560.db2.gz SHDFOJWMFGVXQZ-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCCCCCO ZINC001255943658 970577065 /nfs/dbraw/zinc/57/70/65/970577065.db2.gz PPOUGFNDVYFKCF-CQSZACIVSA-N 1 3 244.423 2.249 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CC(OC)C1 ZINC001255954849 970582748 /nfs/dbraw/zinc/58/27/48/970582748.db2.gz JHNVHKJHGGPTFM-IYXRBSQSSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC000252770687 1166833432 /nfs/dbraw/zinc/83/34/32/1166833432.db2.gz LEATTXCNFOHCNM-RWSFTLGLSA-N 1 3 248.345 2.482 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H]1C1CC1 ZINC001255954456 970589326 /nfs/dbraw/zinc/58/93/26/970589326.db2.gz DSRGRQFTQFCXJE-YUTCNCBUSA-N 1 3 224.392 2.495 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC001255953166 970591485 /nfs/dbraw/zinc/59/14/85/970591485.db2.gz XVKUOPQZJYXGKJ-KGLIPLIRSA-N 1 3 244.423 2.103 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](CC)CCOC ZINC001255955974 970594681 /nfs/dbraw/zinc/59/46/81/970594681.db2.gz YIUSGXCKHVTLLN-ZDUSSCGKSA-N 1 3 230.396 2.075 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](CC)CCOC ZINC001255955974 970594695 /nfs/dbraw/zinc/59/46/95/970594695.db2.gz YIUSGXCKHVTLLN-ZDUSSCGKSA-N 1 3 230.396 2.075 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)N(C)CC1(C)COC1 ZINC001255962905 970603346 /nfs/dbraw/zinc/60/33/46/970603346.db2.gz BWOVFNHSBYWAAQ-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+](C)CC1(C)COC1 ZINC001255962905 970603354 /nfs/dbraw/zinc/60/33/54/970603354.db2.gz BWOVFNHSBYWAAQ-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+](C)CC1(C)COC1 ZINC001255962905 970603363 /nfs/dbraw/zinc/60/33/63/970603363.db2.gz BWOVFNHSBYWAAQ-CYBMUJFWSA-N 1 3 242.407 2.075 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N(C)CC1(C)COC1 ZINC001255962906 970604879 /nfs/dbraw/zinc/60/48/79/970604879.db2.gz BWOVFNHSBYWAAQ-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@H](C)[N@H+](C)CC1(C)COC1 ZINC001255962906 970604885 /nfs/dbraw/zinc/60/48/85/970604885.db2.gz BWOVFNHSBYWAAQ-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(CC)CC[C@H](C)[N@@H+](C)CC1(C)COC1 ZINC001255962906 970604899 /nfs/dbraw/zinc/60/48/99/970604899.db2.gz BWOVFNHSBYWAAQ-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)C[C@@H](C)O2 ZINC000925829539 1166879433 /nfs/dbraw/zinc/87/94/33/1166879433.db2.gz CKSVZUYSRFPBBL-QJPTWQEYSA-N 1 3 248.370 2.225 20 0 BEADHO Fc1ccc(CCC[N@@H+]2CCCNCC2)cc1 ZINC000041271289 1166991668 /nfs/dbraw/zinc/99/16/68/1166991668.db2.gz UPJZTQZBFNDKKE-UHFFFAOYSA-N 1 3 236.334 2.054 20 0 BEADHO Fc1ccc(CCC[N@H+]2CCCNCC2)cc1 ZINC000041271289 1166991676 /nfs/dbraw/zinc/99/16/76/1166991676.db2.gz UPJZTQZBFNDKKE-UHFFFAOYSA-N 1 3 236.334 2.054 20 0 BEADHO CCSC[C@H](C)N(CC)CCC[NH+](C)C ZINC001173316885 975305457 /nfs/dbraw/zinc/30/54/57/975305457.db2.gz ZVBAVPLORMKHCB-LBPRGKRZSA-N 1 3 232.437 2.402 20 0 BEADHO CCSC[C@@H](C)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173315642 975305085 /nfs/dbraw/zinc/30/50/85/975305085.db2.gz RVUKSJUJEFUFDJ-JHJVBQTASA-N 1 3 242.432 2.012 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001332991572 975362037 /nfs/dbraw/zinc/36/20/37/975362037.db2.gz QUGQJBCVFMVUPI-YPMHNXCESA-N 1 3 210.365 2.201 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001332991572 975362045 /nfs/dbraw/zinc/36/20/45/975362045.db2.gz QUGQJBCVFMVUPI-YPMHNXCESA-N 1 3 210.365 2.201 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H](CN)C2)C1 ZINC000308800139 1167200614 /nfs/dbraw/zinc/20/06/14/1167200614.db2.gz DJVGPPMTVMUBFL-UPJWGTAASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](CN)C2)C1 ZINC000308800139 1167200621 /nfs/dbraw/zinc/20/06/21/1167200621.db2.gz DJVGPPMTVMUBFL-UPJWGTAASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H](CN)C2)C1 ZINC000308800136 1167201580 /nfs/dbraw/zinc/20/15/80/1167201580.db2.gz DJVGPPMTVMUBFL-AGIUHOORSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](CN)C2)C1 ZINC000308800136 1167201587 /nfs/dbraw/zinc/20/15/87/1167201587.db2.gz DJVGPPMTVMUBFL-AGIUHOORSA-N 1 3 210.365 2.236 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000309044779 1167244775 /nfs/dbraw/zinc/24/47/75/1167244775.db2.gz NSHHPLAJFGSSND-NEPJUHHUSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CNCC[C@@H]3C2)C[C@@H](C)C1 ZINC000310489185 1167783585 /nfs/dbraw/zinc/78/35/85/1167783585.db2.gz FNVFLWZCHCGECK-KHMAMNHCSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CNCC[C@@H]3C2)C[C@@H](C)C1 ZINC000310489185 1167783591 /nfs/dbraw/zinc/78/35/91/1167783591.db2.gz FNVFLWZCHCGECK-KHMAMNHCSA-N 1 3 236.403 2.352 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3(N)C2)c(C)c1 ZINC001235980812 1167802538 /nfs/dbraw/zinc/80/25/38/1167802538.db2.gz ORSAJOOVXDXXGQ-HUUCEWRRSA-N 1 3 230.355 2.227 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@]3(N)C2)c(C)c1 ZINC001235980812 1167802550 /nfs/dbraw/zinc/80/25/50/1167802550.db2.gz ORSAJOOVXDXXGQ-HUUCEWRRSA-N 1 3 230.355 2.227 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001235256720 979009775 /nfs/dbraw/zinc/00/97/75/979009775.db2.gz GKKHGQNUBMECQU-IHRRRGAJSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CNCC[C@@H]21 ZINC001235256720 979009781 /nfs/dbraw/zinc/00/97/81/979009781.db2.gz GKKHGQNUBMECQU-IHRRRGAJSA-N 1 3 224.392 2.497 20 0 BEADHO C1CC[C@@H]2[C@H](C1)CCCN2[C@H]1CCC[NH2+]C1 ZINC000226109532 1168653887 /nfs/dbraw/zinc/65/38/87/1168653887.db2.gz HBTGAYJPEGRVRI-HZSPNIEDSA-N 1 3 222.376 2.393 20 0 BEADHO CCCCOCCN1CCCC[C@H]1CC[NH3+] ZINC000082594414 983104052 /nfs/dbraw/zinc/10/40/52/983104052.db2.gz VBEHNUCSYRUUFS-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246557333 972772781 /nfs/dbraw/zinc/77/27/81/972772781.db2.gz KOSKHMSFXIPAOB-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](C)C2)CCN1 ZINC001246557333 972772793 /nfs/dbraw/zinc/77/27/93/972772793.db2.gz KOSKHMSFXIPAOB-XQQFMLRXSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H](CC(F)(F)F)N1CCCC[C@H](C[NH3+])C1 ZINC001246596755 973010421 /nfs/dbraw/zinc/01/04/21/973010421.db2.gz VJLKEMZPRRWOHH-VHSXEESVSA-N 1 3 238.297 2.388 20 0 BEADHO NC[C@@H]1CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000402202316 970769281 /nfs/dbraw/zinc/76/92/81/970769281.db2.gz FFNWMHXUHCUFJO-KGLIPLIRSA-N 1 3 222.376 2.404 20 0 BEADHO NC[C@@H]1CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000402202316 970769300 /nfs/dbraw/zinc/76/93/00/970769300.db2.gz FFNWMHXUHCUFJO-KGLIPLIRSA-N 1 3 222.376 2.404 20 0 BEADHO CCOC1CCC([N@H+](CCCN)C(C)C)CC1 ZINC001256429116 970833810 /nfs/dbraw/zinc/83/38/10/970833810.db2.gz APQNPYXFHCGFMW-UHFFFAOYSA-N 1 3 242.407 2.393 20 0 BEADHO CCOC1CCC([N@@H+](CCCN)C(C)C)CC1 ZINC001256429116 970833818 /nfs/dbraw/zinc/83/38/18/970833818.db2.gz APQNPYXFHCGFMW-UHFFFAOYSA-N 1 3 242.407 2.393 20 0 BEADHO CC(C)(C[NH3+])N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256787707 970987844 /nfs/dbraw/zinc/98/78/44/970987844.db2.gz WQHMXFWNNFIMJG-KGLIPLIRSA-N 1 3 248.370 2.234 20 0 BEADHO Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)n1C ZINC001257206160 971124814 /nfs/dbraw/zinc/12/48/14/971124814.db2.gz UNQKPVUJWMRBOJ-UHFFFAOYSA-N 1 3 249.402 2.296 20 0 BEADHO CC(C)N1CCC([N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001257223949 971133761 /nfs/dbraw/zinc/13/37/61/971133761.db2.gz JWFMHKOSVOWKSM-GXTWGEPZSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)N1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001257223949 971133770 /nfs/dbraw/zinc/13/37/70/971133770.db2.gz JWFMHKOSVOWKSM-GXTWGEPZSA-N 1 3 222.376 2.344 20 0 BEADHO CCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001257324207 971216587 /nfs/dbraw/zinc/21/65/87/971216587.db2.gz KRVMMMLYPVYNGD-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO CCCC[C@H](CC)[N@H+](C)C[C@@H](C)CN ZINC001257413456 971300027 /nfs/dbraw/zinc/30/00/27/971300027.db2.gz WLLIHEDWXPWMKJ-RYUDHWBXSA-N 1 3 200.370 2.482 20 0 BEADHO CCCC[C@H](CC)[N@@H+](C)C[C@@H](C)CN ZINC001257413456 971300031 /nfs/dbraw/zinc/30/00/31/971300031.db2.gz WLLIHEDWXPWMKJ-RYUDHWBXSA-N 1 3 200.370 2.482 20 0 BEADHO CCCCN(C)CCC[NH2+][C@H](C)CC ZINC001257429269 971333705 /nfs/dbraw/zinc/33/37/05/971333705.db2.gz MDKFZLIWKVZRFU-GFCCVEGCSA-N 1 3 200.370 2.497 20 0 BEADHO CC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257432804 971340303 /nfs/dbraw/zinc/34/03/03/971340303.db2.gz AIENKDXAUWTTET-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)[N@H+](CCCN)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716135 971635744 /nfs/dbraw/zinc/63/57/44/971635744.db2.gz PFAGJODHIWOWPI-XYYAHUGASA-N 1 3 224.392 2.480 20 0 BEADHO CC(C)[N@@H+](CCCN)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716135 971635746 /nfs/dbraw/zinc/63/57/46/971635746.db2.gz PFAGJODHIWOWPI-XYYAHUGASA-N 1 3 224.392 2.480 20 0 BEADHO C[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000216861641 971676855 /nfs/dbraw/zinc/67/68/55/971676855.db2.gz VXOJCELMRUMVMI-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000216861641 971676865 /nfs/dbraw/zinc/67/68/65/971676865.db2.gz VXOJCELMRUMVMI-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CN1CC2(C1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170764048 971748732 /nfs/dbraw/zinc/74/87/32/971748732.db2.gz GEPVVFNNXJKHQQ-BTTYYORXSA-N 1 3 248.414 2.449 20 0 BEADHO CCCCN(C)CCC[NH2+][C@@H]1CCCOCC1 ZINC001170775748 971800194 /nfs/dbraw/zinc/80/01/94/971800194.db2.gz LSTIWFAZXZWPRF-CQSZACIVSA-N 1 3 242.407 2.267 20 0 BEADHO COc1cccc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC000310990098 971990481 /nfs/dbraw/zinc/99/04/81/971990481.db2.gz GMISDKWDFFTVEP-CQSZACIVSA-N 1 3 248.370 2.256 20 0 BEADHO Cc1c2[nH]cnc2ccc1NCC[C@@H](C)[NH3+] ZINC001170891345 972046611 /nfs/dbraw/zinc/04/66/11/972046611.db2.gz USTXNDWPGDXVHV-MRVPVSSYSA-N 1 3 218.304 2.021 20 0 BEADHO Cc1cc(C)c(C)c(N[C@H](N)CCC[NH3+])c1C ZINC001170899303 972061985 /nfs/dbraw/zinc/06/19/85/972061985.db2.gz AAWYLPXVWFZFBU-ZDUSSCGKSA-N 1 3 235.375 2.356 20 0 BEADHO Cc1cc(Cl)cc(C)c1N[C@@H](N)CCC[NH3+] ZINC001170898989 972062233 /nfs/dbraw/zinc/06/22/33/972062233.db2.gz GCFGQKLSJZYVSG-LLVKDONJSA-N 1 3 241.766 2.392 20 0 BEADHO N[C@H](CCC[NH3+])Nc1cccc2c1CCCC2 ZINC001170900432 972064399 /nfs/dbraw/zinc/06/43/99/972064399.db2.gz UCBOHPYHESHRGY-AWEZNQCLSA-N 1 3 233.359 2.001 20 0 BEADHO Cc1ccc(Cl)c(C)c1N[C@H](N)CCC[NH3+] ZINC001170902517 972077190 /nfs/dbraw/zinc/07/71/90/972077190.db2.gz FJURYPLHLZUUHU-NSHDSACASA-N 1 3 241.766 2.392 20 0 BEADHO CC1(C)[C@@H]2C[C@H](N[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC001246089285 972143833 /nfs/dbraw/zinc/14/38/33/972143833.db2.gz BXGYQIFFZOUUMM-RVMXOQNASA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CC[C@@H](CNC2CCCCC2)[NH2+]C1 ZINC001246115081 972176604 /nfs/dbraw/zinc/17/66/04/972176604.db2.gz QUABTAXVDRDLMV-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CNC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246116496 972181016 /nfs/dbraw/zinc/18/10/16/972181016.db2.gz MRTLBRBZQWCLME-MROQNXINSA-N 1 3 224.392 2.399 20 0 BEADHO CCCC[C@H](CC)[NH2+][C@H]1CNCC12CC2 ZINC001246133534 972190380 /nfs/dbraw/zinc/19/03/80/972190380.db2.gz OEJBEZRYJIXBNA-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CC(C)(C)C1 ZINC001246190706 972211322 /nfs/dbraw/zinc/21/13/22/972211322.db2.gz RRESNSRJXWDVKA-DDHJBXDOSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)CC(C)(C)C1 ZINC001246190704 972213495 /nfs/dbraw/zinc/21/34/95/972213495.db2.gz RRESNSRJXWDVKA-BJDJZHNGSA-N 1 3 210.365 2.281 20 0 BEADHO CSC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000300796439 957045860 /nfs/dbraw/zinc/04/58/60/957045860.db2.gz DVECYADFJNMLDU-CYBMUJFWSA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H]1CCc2cccc(F)c2C1 ZINC001246313133 972272276 /nfs/dbraw/zinc/27/22/76/972272276.db2.gz JELPRQPPPPJQMM-NEPJUHHUSA-N 1 3 236.334 2.010 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2c(F)cccc2C1 ZINC001246311424 972273056 /nfs/dbraw/zinc/27/30/56/972273056.db2.gz CLTFSTUHWMKUOE-VXGBXAGGSA-N 1 3 236.334 2.010 20 0 BEADHO C[C@@H](Cc1ccco1)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000397523283 957663400 /nfs/dbraw/zinc/66/34/00/957663400.db2.gz FZOUKTXISBNQFP-AGIUHOORSA-N 1 3 236.359 2.188 20 0 BEADHO CC(C)C1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246442274 972315317 /nfs/dbraw/zinc/31/53/17/972315317.db2.gz COMMKTYJOVIAAJ-BPCQOVAHSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)C1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246442274 972315324 /nfs/dbraw/zinc/31/53/24/972315324.db2.gz COMMKTYJOVIAAJ-BPCQOVAHSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)C1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246442275 972315841 /nfs/dbraw/zinc/31/58/41/972315841.db2.gz COMMKTYJOVIAAJ-WXRRBKDZSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)C1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246442275 972315844 /nfs/dbraw/zinc/31/58/44/972315844.db2.gz COMMKTYJOVIAAJ-WXRRBKDZSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]1CC([NH2+][C@H]2C[C@@](C)(N)C2)C[C@H](C)C1 ZINC001246458507 972329805 /nfs/dbraw/zinc/32/98/05/972329805.db2.gz HAKYSZJHASUFHR-WFFHOREQSA-N 1 3 210.365 2.281 20 0 BEADHO C[C@@H](Cc1ccco1)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000398805630 958394101 /nfs/dbraw/zinc/39/41/01/958394101.db2.gz PHFDSOQEVYHZHT-RWMBFGLXSA-N 1 3 236.359 2.046 20 0 BEADHO C[C@H]1CC[C@H](NCCC2CCCC2)C[NH2+]1 ZINC000398958874 958458839 /nfs/dbraw/zinc/45/88/39/958458839.db2.gz KQAFBXPMDUVCFN-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO COc1cccc([C@@H](C)C[NH2+]C2CCNCC2)c1 ZINC001246502229 972359203 /nfs/dbraw/zinc/35/92/03/972359203.db2.gz UMZSMXWRLMZWNL-LBPRGKRZSA-N 1 3 248.370 2.140 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2CCC23CCCC3)CCN1 ZINC000707627662 958634114 /nfs/dbraw/zinc/63/41/14/958634114.db2.gz RRRVYQWPEYYIDB-RYUDHWBXSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2CCC23CCCC3)CCN1 ZINC000707627662 958634126 /nfs/dbraw/zinc/63/41/26/958634126.db2.gz RRRVYQWPEYYIDB-RYUDHWBXSA-N 1 3 208.349 2.145 20 0 BEADHO [NH3+]CC[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000690738448 958857027 /nfs/dbraw/zinc/85/70/27/958857027.db2.gz HPIUWMWPCARBOS-JTQLQIEISA-N 1 3 240.297 2.136 20 0 BEADHO C[C@H](Cc1ccccn1)[NH2+]CC[C@@H]1CCCN1C ZINC000707961854 958881238 /nfs/dbraw/zinc/88/12/38/958881238.db2.gz VMONDLYLFQKGSE-HIFRSBDPSA-N 1 3 247.386 2.087 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222231888 972413635 /nfs/dbraw/zinc/41/36/35/972413635.db2.gz QJNLKQFBMNSXBZ-JJXSEGSLSA-N 1 3 246.398 2.417 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCC[C@]12CCCNC2 ZINC001222231888 972413640 /nfs/dbraw/zinc/41/36/40/972413640.db2.gz QJNLKQFBMNSXBZ-JJXSEGSLSA-N 1 3 246.398 2.417 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222231891 972413856 /nfs/dbraw/zinc/41/38/56/972413856.db2.gz QJNLKQFBMNSXBZ-XUWVNRHRSA-N 1 3 246.398 2.417 20 0 BEADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222231891 972413861 /nfs/dbraw/zinc/41/38/61/972413861.db2.gz QJNLKQFBMNSXBZ-XUWVNRHRSA-N 1 3 246.398 2.417 20 0 BEADHO C[C@H]1C[N@@H+](C2CCCCCC2)C[C@H]1CN ZINC000708830348 959860038 /nfs/dbraw/zinc/86/00/38/959860038.db2.gz LPQMUIRYIALSHR-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@H+](C2CCCCCC2)C[C@H]1CN ZINC000708830348 959860040 /nfs/dbraw/zinc/86/00/40/959860040.db2.gz LPQMUIRYIALSHR-NWDGAFQWSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@H+](CC2(c3ccccc3)CC2)C[C@H]1CN ZINC000708872991 959995143 /nfs/dbraw/zinc/99/51/43/959995143.db2.gz XUYOUKHCVOWTCU-UONOGXRCSA-N 1 3 244.382 2.245 20 0 BEADHO C[C@H]1C[N@@H+](CC2(c3ccccc3)CC2)C[C@H]1CN ZINC000708872991 959995156 /nfs/dbraw/zinc/99/51/56/959995156.db2.gz XUYOUKHCVOWTCU-UONOGXRCSA-N 1 3 244.382 2.245 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCOC1CCCC1 ZINC000925530892 960286855 /nfs/dbraw/zinc/28/68/55/960286855.db2.gz HHOSLVKKSNCKSQ-JSGCOSHPSA-N 1 3 240.391 2.066 20 0 BEADHO CC[NH+]1CCC(N[C@H](C)C2(Cl)CC2)CC1 ZINC000695669452 960343374 /nfs/dbraw/zinc/34/33/74/960343374.db2.gz VJFOWTKKMSIZTJ-SNVBAGLBSA-N 1 3 230.783 2.220 20 0 BEADHO CC[NH+]1CCC(N[C@@H](C)C2(Cl)CC2)CC1 ZINC000695669230 960343744 /nfs/dbraw/zinc/34/37/44/960343744.db2.gz VJFOWTKKMSIZTJ-JTQLQIEISA-N 1 3 230.783 2.220 20 0 BEADHO C1CC12CCC(N[C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)CC2 ZINC000695766816 960445046 /nfs/dbraw/zinc/44/50/46/960445046.db2.gz CWWZODHHJOFCCG-RCZQDCHWSA-N 1 3 246.398 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CCCC1 ZINC000709264534 960464367 /nfs/dbraw/zinc/46/43/67/960464367.db2.gz IFNUUSONVZECMX-GVXVVHGQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)c1ccccn1 ZINC000692744339 960564154 /nfs/dbraw/zinc/56/41/54/960564154.db2.gz GBJVNHFLEWBTOZ-XBFCOCLRSA-N 1 3 245.370 2.045 20 0 BEADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000709525823 960633891 /nfs/dbraw/zinc/63/38/91/960633891.db2.gz RTKRSYRGDVFZRW-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCCC(C)(C)C1 ZINC000709525823 960633899 /nfs/dbraw/zinc/63/38/99/960633899.db2.gz RTKRSYRGDVFZRW-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO CCCCN(C)CCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167899406 961538533 /nfs/dbraw/zinc/53/85/33/961538533.db2.gz ZVDABTCHFSKJQV-BTTYYORXSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1c(O)cccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206632374 962121220 /nfs/dbraw/zinc/12/12/20/962121220.db2.gz JZEPOAXPFLAELJ-CYBMUJFWSA-N 1 3 248.370 2.261 20 0 BEADHO Cc1cc(O)cc(CN2CCCC[C@H](C[NH3+])C2)c1 ZINC001206632344 962127603 /nfs/dbraw/zinc/12/76/03/962127603.db2.gz JIBAJXHIDRLDOF-CYBMUJFWSA-N 1 3 248.370 2.261 20 0 BEADHO C(C1CC1)N1[C@@H]2CC[C@H]1CC([NH+]1CCCC1)C2 ZINC001167981760 963067526 /nfs/dbraw/zinc/06/75/26/963067526.db2.gz ITLKQQNEFNXSHV-YIONKMFJSA-N 1 3 234.387 2.488 20 0 BEADHO CN1CCC[C@H]1CC[NH2+]C1CCCCC1 ZINC000822123799 963938145 /nfs/dbraw/zinc/93/81/45/963938145.db2.gz FKEVXQBYXGVUAV-ZDUSSCGKSA-N 1 3 210.365 2.393 20 0 BEADHO C[C@@H](CC1CC1)[NH2+]CC[C@H]1CCCN1C ZINC000822123673 963938806 /nfs/dbraw/zinc/93/88/06/963938806.db2.gz ABJLJEBALCUXQJ-WCQYABFASA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)N(C)C)CCO1 ZINC000697824947 964547837 /nfs/dbraw/zinc/54/78/37/964547837.db2.gz DKGLEQFJOPLZNX-MJBXVCDLSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N(C)C ZINC000697869829 964596738 /nfs/dbraw/zinc/59/67/38/964596738.db2.gz IXSHDOMEIHBGTQ-NDBYEHHHSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H](CC[NH2+]Cc1ccccc1)N(C)C ZINC000697871131 964600772 /nfs/dbraw/zinc/60/07/72/964600772.db2.gz NUMAYGGVVYUMFP-GFCCVEGCSA-N 1 3 206.333 2.116 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](Nc2c[nH]cc3ccnc2-3)C1 ZINC001162396446 964954535 /nfs/dbraw/zinc/95/45/35/964954535.db2.gz JJMOZTVQHVQLDO-GHMZBOCLSA-N 1 3 230.315 2.245 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](Nc2cncc3cc[nH]c32)C1 ZINC001162396446 964954542 /nfs/dbraw/zinc/95/45/42/964954542.db2.gz JJMOZTVQHVQLDO-GHMZBOCLSA-N 1 3 230.315 2.245 20 0 BEADHO CC(C)[N@@H+]1CC[C@H](Nc2cccc(N)n2)[C@H](C)C1 ZINC001163365410 965371020 /nfs/dbraw/zinc/37/10/20/965371020.db2.gz ZVKAJMURYHKZIO-NEPJUHHUSA-N 1 3 248.374 2.195 20 0 BEADHO CC(C)[N@H+]1CC[C@H](Nc2cccc(N)n2)[C@H](C)C1 ZINC001163365410 965371032 /nfs/dbraw/zinc/37/10/32/965371032.db2.gz ZVKAJMURYHKZIO-NEPJUHHUSA-N 1 3 248.374 2.195 20 0 BEADHO CC/C=C\CCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205131227 965935903 /nfs/dbraw/zinc/93/59/03/965935903.db2.gz VAPSSOOSRBXRTC-OEFFGFFESA-N 1 3 210.365 2.259 20 0 BEADHO CC/C=C\CCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205131227 965935919 /nfs/dbraw/zinc/93/59/19/965935919.db2.gz VAPSSOOSRBXRTC-OEFFGFFESA-N 1 3 210.365 2.259 20 0 BEADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CC(C)(CN)C2)CC1 ZINC001206711325 966198309 /nfs/dbraw/zinc/19/83/09/966198309.db2.gz IOANHGYCDOROCD-CHWSQXEVSA-N 1 3 222.376 2.259 20 0 BEADHO CC1=C[C@@H](C)[C@@H](CN2CC(C)(C[NH3+])C2)CC1 ZINC001206711325 966198296 /nfs/dbraw/zinc/19/82/96/966198296.db2.gz IOANHGYCDOROCD-CHWSQXEVSA-N 1 3 222.376 2.259 20 0 BEADHO CC1=C[C@H](C)[C@@H](CN2CC(C)(C[NH3+])C2)CC1 ZINC001206711328 966198617 /nfs/dbraw/zinc/19/86/17/966198617.db2.gz IOANHGYCDOROCD-QWHCGFSZSA-N 1 3 222.376 2.259 20 0 BEADHO CC1=C[C@H](C)[C@@H](C[NH+]2CC(C)(CN)C2)CC1 ZINC001206711328 966198625 /nfs/dbraw/zinc/19/86/25/966198625.db2.gz IOANHGYCDOROCD-QWHCGFSZSA-N 1 3 222.376 2.259 20 0 BEADHO CC/C=C\CC[N@H+](C)[C@@]1(C)CCCNC1 ZINC001236202426 966308510 /nfs/dbraw/zinc/30/85/10/966308510.db2.gz RGTVYQHYALJMNM-SZZPACECSA-N 1 3 210.365 2.417 20 0 BEADHO CC/C=C\CC[N@@H+](C)[C@@]1(C)CCCNC1 ZINC001236202426 966308522 /nfs/dbraw/zinc/30/85/22/966308522.db2.gz RGTVYQHYALJMNM-SZZPACECSA-N 1 3 210.365 2.417 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000715584758 967193506 /nfs/dbraw/zinc/19/35/06/967193506.db2.gz RBFCVXPRVOZKBR-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(CN2CCC[C@H]([NH3+])CC2)s1 ZINC001205093913 967337666 /nfs/dbraw/zinc/33/76/66/967337666.db2.gz HXPDJKGPSVYQRY-NSHDSACASA-N 1 3 224.373 2.370 20 0 BEADHO Cc1sccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205123976 967352197 /nfs/dbraw/zinc/35/21/97/967352197.db2.gz IAYJVZQVNWIHQP-LBPRGKRZSA-N 1 3 224.373 2.370 20 0 BEADHO CNc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205123423 967371283 /nfs/dbraw/zinc/37/12/83/967371283.db2.gz AWNFMWWQLQLMPC-CYBMUJFWSA-N 1 3 233.359 2.042 20 0 BEADHO COc1ccc(C)c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205151544 967394817 /nfs/dbraw/zinc/39/48/17/967394817.db2.gz WRZJWNQXQAOCIG-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO C[C@@H](CN1CCC[C@@](C)([NH3+])CC1)C(F)(F)F ZINC001205255007 967438380 /nfs/dbraw/zinc/43/83/80/967438380.db2.gz DORUXEYVZNXBLV-VHSXEESVSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1CN ZINC001205297119 967494482 /nfs/dbraw/zinc/49/44/82/967494482.db2.gz ZKBTVZOWGRVMSJ-KHMAMNHCSA-N 1 3 234.387 2.115 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1CN ZINC001205297119 967494490 /nfs/dbraw/zinc/49/44/90/967494490.db2.gz ZKBTVZOWGRVMSJ-KHMAMNHCSA-N 1 3 234.387 2.115 20 0 BEADHO [NH3+]C[C@@H]1CN(C[C@@H]2CC=CCC2)CCC1(F)F ZINC001205736245 967807771 /nfs/dbraw/zinc/80/77/71/967807771.db2.gz WVULZPXPEZYLIN-VXGBXAGGSA-N 1 3 244.329 2.259 20 0 BEADHO [NH3+]C[C@H]1CN(C[C@H]2CC=CCC2)CCC1(F)F ZINC001205736244 967809329 /nfs/dbraw/zinc/80/93/29/967809329.db2.gz WVULZPXPEZYLIN-RYUDHWBXSA-N 1 3 244.329 2.259 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CCC[C@@H](C)C1)N(C)C ZINC000697878749 968048627 /nfs/dbraw/zinc/04/86/27/968048627.db2.gz LMQCEVGFNWGBSM-AGIUHOORSA-N 1 3 212.381 2.495 20 0 BEADHO N[C@H]1CC[N@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165544 968104283 /nfs/dbraw/zinc/10/42/83/968104283.db2.gz NZLBXCQVXDDXJB-QWRGUYRKSA-N 1 3 228.336 2.009 20 0 BEADHO N[C@H]1CC[N@@H+](Cc2ccsc2)CC[C@@H]1F ZINC001206165544 968104295 /nfs/dbraw/zinc/10/42/95/968104295.db2.gz NZLBXCQVXDDXJB-QWRGUYRKSA-N 1 3 228.336 2.009 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCCNC[C@@H]2C)c1 ZINC001206257685 968176565 /nfs/dbraw/zinc/17/65/65/968176565.db2.gz HNLKTRBUNPZCMU-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCCNC[C@@H]2C)c1 ZINC001206257685 968176571 /nfs/dbraw/zinc/17/65/71/968176571.db2.gz HNLKTRBUNPZCMU-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@H]1CNCCC[N@@H+]1Cc1cccc2c1CCC2 ZINC001206269855 968188289 /nfs/dbraw/zinc/18/82/89/968188289.db2.gz WTSGILDWRFYXEH-ZDUSSCGKSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@H]1CNCCC[N@H+]1Cc1cccc2c1CCC2 ZINC001206269855 968188294 /nfs/dbraw/zinc/18/82/94/968188294.db2.gz WTSGILDWRFYXEH-ZDUSSCGKSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@@H]1CNCC[N@H+](Cc2cccc3c2CCC3)C1 ZINC001206284758 968193029 /nfs/dbraw/zinc/19/30/29/968193029.db2.gz GSGLATSZTNQMCZ-CYBMUJFWSA-N 1 3 244.382 2.217 20 0 BEADHO C[C@@H]1CNCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001206284758 968193034 /nfs/dbraw/zinc/19/30/34/968193034.db2.gz GSGLATSZTNQMCZ-CYBMUJFWSA-N 1 3 244.382 2.217 20 0 BEADHO Cc1cc(CN2CCCC[C@@H](C[NH3+])C2)ccc1O ZINC001206622384 968422962 /nfs/dbraw/zinc/42/29/62/968422962.db2.gz BBENJEMMSLBWDW-AWEZNQCLSA-N 1 3 248.370 2.261 20 0 BEADHO C[NH+]1CCC(CCN2CCC[C@H](F)C2)CC1 ZINC001207482366 968798197 /nfs/dbraw/zinc/79/81/97/968798197.db2.gz BOQFVOGEOYWDMG-ZDUSSCGKSA-N 1 3 228.355 2.152 20 0 BEADHO C[NH+]1CCC(CCN2CCc3occc3C2)CC1 ZINC001207486533 968799452 /nfs/dbraw/zinc/79/94/52/968799452.db2.gz JUTHSPDABYBZMV-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO CN1CCC=C(c2ccc3c(c2)CC[NH2+]C3)C1 ZINC001241569631 969059625 /nfs/dbraw/zinc/05/96/25/969059625.db2.gz JHWSAZMCFCQYKB-UHFFFAOYSA-N 1 3 228.339 2.051 20 0 BEADHO C[C@H](CN)C[N@H+](C)C1CCC2(CC2)CC1 ZINC000723428309 969146009 /nfs/dbraw/zinc/14/60/09/969146009.db2.gz XNHGGAMNIONXRJ-LLVKDONJSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](CN)C[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723428309 969146018 /nfs/dbraw/zinc/14/60/18/969146018.db2.gz XNHGGAMNIONXRJ-LLVKDONJSA-N 1 3 210.365 2.236 20 0 BEADHO CC[NH+]1CCC(CN(C)Cc2ccccn2)CC1 ZINC001208595149 969151383 /nfs/dbraw/zinc/15/13/83/969151383.db2.gz QLJHDPUDEAPRIQ-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO C[N@@H+]1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC001208605070 969154923 /nfs/dbraw/zinc/15/49/23/969154923.db2.gz XZFPIMOIUQHKQO-CQSZACIVSA-N 1 3 244.382 2.387 20 0 BEADHO C[N@H+]1CCC[C@@H](CN2CCc3ccccc3C2)C1 ZINC001208605070 969154929 /nfs/dbraw/zinc/15/49/29/969154929.db2.gz XZFPIMOIUQHKQO-CQSZACIVSA-N 1 3 244.382 2.387 20 0 BEADHO CC(C)CC[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405127 969159770 /nfs/dbraw/zinc/15/97/70/969159770.db2.gz PUAZBVKZNLITND-STQMWFEESA-N 1 3 244.423 2.150 20 0 BEADHO CC(C)CC[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405127 969159774 /nfs/dbraw/zinc/15/97/74/969159774.db2.gz PUAZBVKZNLITND-STQMWFEESA-N 1 3 244.423 2.150 20 0 BEADHO CC(C)C([NH2+]C[C@H](O)CNC(C)(C)C)C(C)C ZINC001253406206 969164057 /nfs/dbraw/zinc/16/40/57/969164057.db2.gz CSPABFQTWYLVFQ-LBPRGKRZSA-N 1 3 244.423 2.006 20 0 BEADHO CCCCC[C@H](O)CNCCC[NH+](CC)CC ZINC001253522361 969199199 /nfs/dbraw/zinc/19/91/99/969199199.db2.gz KSZHMNSDFCZXSX-AWEZNQCLSA-N 1 3 244.423 2.249 20 0 BEADHO CN1CC=C(Nc2cccc(C[NH+](C)C)c2)CC1 ZINC001208837472 969250487 /nfs/dbraw/zinc/25/04/87/969250487.db2.gz JNDNZKJILBOUBG-UHFFFAOYSA-N 1 3 245.370 2.380 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC001169080441 969403089 /nfs/dbraw/zinc/40/30/89/969403089.db2.gz NMYGGOLFSINENC-CYUUQNCZSA-N 1 3 245.370 2.357 20 0 BEADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC001169080446 969403115 /nfs/dbraw/zinc/40/31/15/969403115.db2.gz NMYGGOLFSINENC-NGFQHRJXSA-N 1 3 245.370 2.357 20 0 BEADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(F)(F)CC1)C2 ZINC001169124282 969421628 /nfs/dbraw/zinc/42/16/28/969421628.db2.gz BKFCLZPGSUXCJK-GDNZZTSVSA-N 1 3 244.329 2.343 20 0 BEADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001209452427 969516543 /nfs/dbraw/zinc/51/65/43/969516543.db2.gz OTSCCUPDJDIVEM-UONOGXRCSA-N 1 3 222.376 2.347 20 0 BEADHO C(CN1CCCCC1)C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001209452427 969516550 /nfs/dbraw/zinc/51/65/50/969516550.db2.gz OTSCCUPDJDIVEM-UONOGXRCSA-N 1 3 222.376 2.347 20 0 BEADHO CC[N@H+](Cc1cccnc1)[C@H]1CCCN(C)CC1 ZINC001254523617 969711003 /nfs/dbraw/zinc/71/10/03/969711003.db2.gz QFPHYTYMIDXPRC-HNNXBMFYSA-N 1 3 247.386 2.388 20 0 BEADHO CC[N@@H+](Cc1cccnc1)[C@H]1CCCN(C)CC1 ZINC001254523617 969711010 /nfs/dbraw/zinc/71/10/10/969711010.db2.gz QFPHYTYMIDXPRC-HNNXBMFYSA-N 1 3 247.386 2.388 20 0 BEADHO c1cc2c[nH]cc(NCC[C@H]3CCC[NH2+]3)c-2n1 ZINC001169564765 969762772 /nfs/dbraw/zinc/76/27/72/969762772.db2.gz SBOJCBLMVHHWSV-LLVKDONJSA-N 1 3 230.315 2.117 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCN[C@@H](C)CC2)c1 ZINC001210474598 969899427 /nfs/dbraw/zinc/89/94/27/969899427.db2.gz GXGPJABIAJDXBQ-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCN[C@@H](C)CC2)c1 ZINC001210474598 969899429 /nfs/dbraw/zinc/89/94/29/969899429.db2.gz GXGPJABIAJDXBQ-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCSC1 ZINC001255269415 970016245 /nfs/dbraw/zinc/01/62/45/970016245.db2.gz GXFBGNFRFOJSSS-LLVKDONJSA-N 1 3 242.432 2.472 20 0 BEADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134624 970408241 /nfs/dbraw/zinc/40/82/41/970408241.db2.gz CUMNUOVRIVWWJU-CRWXNKLISA-N 1 3 222.376 2.059 20 0 BEADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001170134624 970408247 /nfs/dbraw/zinc/40/82/47/970408247.db2.gz CUMNUOVRIVWWJU-CRWXNKLISA-N 1 3 222.376 2.059 20 0 BEADHO C[C@H](N)c1nccn1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255661886 970442193 /nfs/dbraw/zinc/44/21/93/970442193.db2.gz DWPHZWXIDWHONC-ACJTYDJDSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@H](N)c1nccn1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661886 970442206 /nfs/dbraw/zinc/44/22/06/970442206.db2.gz DWPHZWXIDWHONC-ACJTYDJDSA-N 1 3 248.374 2.091 20 0 BEADHO C[C@@H]1CC[C@H]([NH+]2CCC3(CN(C)C3)CC2)C1 ZINC001170152943 970464150 /nfs/dbraw/zinc/46/41/50/970464150.db2.gz YGUNCFNNKPJRDL-OLZOCXBDSA-N 1 3 222.376 2.203 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001255867168 970525777 /nfs/dbraw/zinc/52/57/77/970525777.db2.gz ZPWUYBDYPNBFDA-DDTOSNHZSA-N 1 3 236.334 2.226 20 0 BEADHO NC1CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000400139478 970558881 /nfs/dbraw/zinc/55/88/81/970558881.db2.gz ZSLHDVRUOQQWDK-BPCQOVAHSA-N 1 3 222.376 2.236 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C1CC=CC1 ZINC001255940376 970571656 /nfs/dbraw/zinc/57/16/56/970571656.db2.gz AWICQJLPAFJXKC-LBPRGKRZSA-N 1 3 210.365 2.415 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CCCCO1 ZINC001255944172 970575554 /nfs/dbraw/zinc/57/55/54/970575554.db2.gz SHDFOJWMFGVXQZ-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@H](F)C1 ZINC001255945044 970576556 /nfs/dbraw/zinc/57/65/56/970576556.db2.gz JCQAPXMSIDBNPH-AVGNSLFASA-N 1 3 230.371 2.445 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)OC ZINC001255943676 970578059 /nfs/dbraw/zinc/57/80/59/970578059.db2.gz PTBSNJMEQZYROF-GFCCVEGCSA-N 1 3 230.396 2.121 20 0 BEADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)OC ZINC001255943676 970578067 /nfs/dbraw/zinc/57/80/67/970578067.db2.gz PTBSNJMEQZYROF-GFCCVEGCSA-N 1 3 230.396 2.121 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@]1(C)CCCOC1 ZINC001255955347 970590742 /nfs/dbraw/zinc/59/07/42/970590742.db2.gz RFQMRUAWWQVZQV-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[NH+](CC)CC[C@H](C)N[C@]1(C)CCCOC1 ZINC001255955347 970590748 /nfs/dbraw/zinc/59/07/48/970590748.db2.gz RFQMRUAWWQVZQV-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CCC[C@@H](CCO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255953191 970591174 /nfs/dbraw/zinc/59/11/74/970591174.db2.gz YMVPOHCNYVIYSP-KBPBESRZSA-N 1 3 244.423 2.248 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@H](C)C1 ZINC001255956751 970597559 /nfs/dbraw/zinc/59/75/59/970597559.db2.gz MCXFSMOPAAOKLB-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@H](C)C1 ZINC001255956751 970597560 /nfs/dbraw/zinc/59/75/60/970597560.db2.gz MCXFSMOPAAOKLB-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO [NH3+][C@@H]1C[C@H]1N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256108786 970660447 /nfs/dbraw/zinc/66/04/47/970660447.db2.gz OLGHKPYFRNKGNL-GBJTYRQASA-N 1 3 230.355 2.402 20 0 BEADHO COc1cccc(C[C@H](C)N[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC001256154728 970672758 /nfs/dbraw/zinc/67/27/58/970672758.db2.gz AVLABJGZTGJEIG-TUKIKUTGSA-N 1 3 248.370 2.096 20 0 BEADHO CC(C)CC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001256357582 970734762 /nfs/dbraw/zinc/73/47/62/970734762.db2.gz IBYATORXIZULOB-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)CC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001256357582 970734766 /nfs/dbraw/zinc/73/47/66/970734766.db2.gz IBYATORXIZULOB-NWDGAFQWSA-N 1 3 200.370 2.338 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCC[C@H](N)CC3)C[C@@H]21 ZINC001246543051 972591025 /nfs/dbraw/zinc/59/10/25/972591025.db2.gz RTNFVVZKGHKUHD-RVMXOQNASA-N 1 3 222.376 2.234 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@H](N)CC3)C[C@@H]21 ZINC001246543051 972591033 /nfs/dbraw/zinc/59/10/33/972591033.db2.gz RTNFVVZKGHKUHD-RVMXOQNASA-N 1 3 222.376 2.234 20 0 BEADHO CSC(C)(C)C[C@@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246552611 972739735 /nfs/dbraw/zinc/73/97/35/972739735.db2.gz YOTUGUAPXNREHX-GMTAPVOTSA-N 1 3 230.421 2.328 20 0 BEADHO C[C@H](CC(F)(F)F)N1CCCC[C@@H](C[NH3+])C1 ZINC001246596759 973013822 /nfs/dbraw/zinc/01/38/22/973013822.db2.gz VJLKEMZPRRWOHH-ZJUUUORDSA-N 1 3 238.297 2.388 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH+]1CC2(CNC2)C1 ZINC001246616105 973035592 /nfs/dbraw/zinc/03/55/92/973035592.db2.gz YDNAESMJCWAJDZ-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO COC(C)(C)[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246811815 973109258 /nfs/dbraw/zinc/10/92/58/973109258.db2.gz XMXHUXTUYZPDAC-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246811815 973109265 /nfs/dbraw/zinc/10/92/65/973109265.db2.gz XMXHUXTUYZPDAC-JHJVBQTASA-N 1 3 240.391 2.016 20 0 BEADHO CSC(C)(C)C[C@H](C)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246854706 973171647 /nfs/dbraw/zinc/17/16/47/973171647.db2.gz QQWKUJGHLLWIBQ-GVXVVHGQSA-N 1 3 242.432 2.330 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328614215 973195717 /nfs/dbraw/zinc/19/57/17/973195717.db2.gz CIUCDBGMAXYPJK-KNZXXDILSA-N 1 3 244.329 2.137 20 0 BEADHO CC(C)(NC/C=C/C[NH3+])c1ccnc(Cl)c1 ZINC001160983682 973229420 /nfs/dbraw/zinc/22/94/20/973229420.db2.gz RNXXNAJHONMVBL-ONEGZZNKSA-N 1 3 239.750 2.075 20 0 BEADHO COCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171618029 974114080 /nfs/dbraw/zinc/11/40/80/974114080.db2.gz UPVYSKNPIRNFLZ-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccnc1)C2 ZINC001172099211 974340522 /nfs/dbraw/zinc/34/05/22/974340522.db2.gz GODRFKZWHKAECZ-QDMKHBRRSA-N 1 3 245.370 2.187 20 0 BEADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(C)(C)C1)C2 ZINC001172109156 974375455 /nfs/dbraw/zinc/37/54/55/974375455.db2.gz BUHCPGLHDBTZED-ITGUQSILSA-N 1 3 222.376 2.344 20 0 BEADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(C)(C)C1)C2 ZINC001172109156 974375461 /nfs/dbraw/zinc/37/54/61/974375461.db2.gz BUHCPGLHDBTZED-ITGUQSILSA-N 1 3 222.376 2.344 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3ccccc3)[C@@H]2C1 ZINC001204089096 974866040 /nfs/dbraw/zinc/86/60/40/974866040.db2.gz KSBIZZKVSZCIAG-RRFJBIMHSA-N 1 3 230.355 2.116 20 0 BEADHO CC[N@@H+]1CC[C@@H](n2c(CN)cc3ccccc32)C1 ZINC001173349899 975293336 /nfs/dbraw/zinc/29/33/36/975293336.db2.gz KTBXBKHKIRAYHO-CYBMUJFWSA-N 1 3 243.354 2.367 20 0 BEADHO CC[N@H+]1CC[C@@H](n2c(CN)cc3ccccc32)C1 ZINC001173349899 975293343 /nfs/dbraw/zinc/29/33/43/975293343.db2.gz KTBXBKHKIRAYHO-CYBMUJFWSA-N 1 3 243.354 2.367 20 0 BEADHO C[C@H](C1CC1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001332991567 975360102 /nfs/dbraw/zinc/36/01/02/975360102.db2.gz QUGQJBCVFMVUPI-DGCLKSJQSA-N 1 3 210.365 2.201 20 0 BEADHO C[C@H](C1CC1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001332991567 975360107 /nfs/dbraw/zinc/36/01/07/975360107.db2.gz QUGQJBCVFMVUPI-DGCLKSJQSA-N 1 3 210.365 2.201 20 0 BEADHO COC[C@H]1CC[N@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232010785 977839229 /nfs/dbraw/zinc/83/92/29/977839229.db2.gz AOQISHDFUCFCEV-NSHDSACASA-N 1 3 245.326 2.031 20 0 BEADHO COC[C@H]1CC[N@@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232010785 977839233 /nfs/dbraw/zinc/83/92/33/977839233.db2.gz AOQISHDFUCFCEV-NSHDSACASA-N 1 3 245.326 2.031 20 0 BEADHO C[N@H+](Cc1cc2cnccc2[nH]1)CC1(C)COC1 ZINC001232014895 977840490 /nfs/dbraw/zinc/84/04/90/977840490.db2.gz WRTWSGBVUPYHOB-UHFFFAOYSA-N 1 3 245.326 2.031 20 0 BEADHO C[N@@H+](Cc1cc2cnccc2[nH]1)CC1(C)COC1 ZINC001232014895 977840496 /nfs/dbraw/zinc/84/04/96/977840496.db2.gz WRTWSGBVUPYHOB-UHFFFAOYSA-N 1 3 245.326 2.031 20 0 BEADHO C[NH+](C)CCCOc1ccc(CN2CCC2)cc1 ZINC001204265495 978856989 /nfs/dbraw/zinc/85/69/89/978856989.db2.gz IAACNMQGTNOENW-UHFFFAOYSA-N 1 3 248.370 2.223 20 0 BEADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC3(CNC3)C2)CC1 ZINC001235024000 978955059 /nfs/dbraw/zinc/95/50/59/978955059.db2.gz JGHYLWARNPBBDX-UONOGXRCSA-N 1 3 234.387 2.274 20 0 BEADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC3(CNC3)C2)CC1 ZINC001235024000 978955062 /nfs/dbraw/zinc/95/50/62/978955062.db2.gz JGHYLWARNPBBDX-UONOGXRCSA-N 1 3 234.387 2.274 20 0 BEADHO CCCC[N@@H+]1CCCC[C@]12CCCNC2 ZINC001235172290 978990700 /nfs/dbraw/zinc/99/07/00/978990700.db2.gz LEHGQRBFQRMRSP-CYBMUJFWSA-N 1 3 210.365 2.395 20 0 BEADHO CCCC[N@H+]1CCCC[C@]12CCCNC2 ZINC001235172290 978990707 /nfs/dbraw/zinc/99/07/07/978990707.db2.gz LEHGQRBFQRMRSP-CYBMUJFWSA-N 1 3 210.365 2.395 20 0 BEADHO [NH3+][C@H]1[C@H]2CN(CCCC3CCCCC3)C[C@@H]12 ZINC001235283450 979016799 /nfs/dbraw/zinc/01/67/99/979016799.db2.gz OTBBWLWHFCUHBY-BTTYYORXSA-N 1 3 222.376 2.236 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235409756 979037153 /nfs/dbraw/zinc/03/71/53/979037153.db2.gz WUTILDPETAWHJQ-MELADBBJSA-N 1 3 242.382 2.446 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235409756 979037157 /nfs/dbraw/zinc/03/71/57/979037157.db2.gz WUTILDPETAWHJQ-MELADBBJSA-N 1 3 242.382 2.446 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235409753 979038767 /nfs/dbraw/zinc/03/87/67/979038767.db2.gz WUTILDPETAWHJQ-IHRRRGAJSA-N 1 3 242.382 2.446 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235409753 979038772 /nfs/dbraw/zinc/03/87/72/979038772.db2.gz WUTILDPETAWHJQ-IHRRRGAJSA-N 1 3 242.382 2.446 20 0 BEADHO CCCCC1CCN(CCC[NH2+]C)CC1 ZINC001235433432 979046392 /nfs/dbraw/zinc/04/63/92/979046392.db2.gz WKGCYVJNFNNOGK-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CN[C@@H]1CC[N@H+](C[C@@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829276 979152994 /nfs/dbraw/zinc/15/29/94/979152994.db2.gz POXMSQAFALKAFC-HZSPNIEDSA-N 1 3 222.376 2.273 20 0 BEADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)=C[C@H]2C)C1 ZINC001235829276 979152999 /nfs/dbraw/zinc/15/29/99/979152999.db2.gz POXMSQAFALKAFC-HZSPNIEDSA-N 1 3 222.376 2.273 20 0 BEADHO Cc1ccc(C)c(CN2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC001235959331 979226757 /nfs/dbraw/zinc/22/67/57/979226757.db2.gz NSZVKMZAWSPYAV-MIFYACCESA-N 1 3 244.382 2.473 20 0 BEADHO N[C@@]12CC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977517 979243225 /nfs/dbraw/zinc/24/32/25/979243225.db2.gz HCBKIKWXSQQWNU-LSDHHAIUSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@@]12CC[C@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977517 979243234 /nfs/dbraw/zinc/24/32/34/979243234.db2.gz HCBKIKWXSQQWNU-LSDHHAIUSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC001235977514 979245438 /nfs/dbraw/zinc/24/54/38/979245438.db2.gz HCBKIKWXSQQWNU-CABCVRRESA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC001235977514 979245449 /nfs/dbraw/zinc/24/54/49/979245449.db2.gz HCBKIKWXSQQWNU-CABCVRRESA-N 1 3 230.355 2.042 20 0 BEADHO CC1(CN2C[C@@H]3CC[C@@]3([NH3+])C2)CCCCC1 ZINC001235981991 979259305 /nfs/dbraw/zinc/25/93/05/979259305.db2.gz ZUAJVVIGKRLKEA-GXTWGEPZSA-N 1 3 222.376 2.380 20 0 BEADHO C([C@@H]1CCCCN1)[NH+]1CC2CCC(CC2)C1 ZINC001236089495 979380254 /nfs/dbraw/zinc/38/02/54/979380254.db2.gz VOWUIFFAWLJZRC-RUXDESIVSA-N 1 3 222.376 2.251 20 0 BEADHO CCCC[C@H](CC)CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412465 979587800 /nfs/dbraw/zinc/58/78/00/979587800.db2.gz VEVXZWGZCWMPAK-IGQOVBAYSA-N 1 3 224.392 2.352 20 0 BEADHO C[NH+](C)Cc1cccc(-c2ccnc(CN)c2)c1 ZINC001236423305 979595102 /nfs/dbraw/zinc/59/51/02/979595102.db2.gz OCGWIGSIZUEHJO-UHFFFAOYSA-N 1 3 241.338 2.269 20 0 BEADHO C[C@H](N)C[N@H+](Cc1ccccc1)C1CCC1 ZINC001236440782 979599363 /nfs/dbraw/zinc/59/93/63/979599363.db2.gz HAACFFAXPGSQPZ-LBPRGKRZSA-N 1 3 218.344 2.388 20 0 BEADHO C[C@H](N)C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001236440782 979599369 /nfs/dbraw/zinc/59/93/69/979599369.db2.gz HAACFFAXPGSQPZ-LBPRGKRZSA-N 1 3 218.344 2.388 20 0 BEADHO c1cc2cncc(C3=CCC[NH2+]CC3)c2[nH]1 ZINC001238941567 980381850 /nfs/dbraw/zinc/38/18/50/980381850.db2.gz OSCFXMIWZRFSHS-UHFFFAOYSA-N 1 3 213.284 2.330 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001345104696 980550210 /nfs/dbraw/zinc/55/02/10/980550210.db2.gz NGFKINKJKMANLE-CQSZACIVSA-N 1 3 218.344 2.002 20 0 BEADHO CN1CCc2ccc(C=C3CC[NH2+]CC3)cc2C1 ZINC001240879272 981936237 /nfs/dbraw/zinc/93/62/37/981936237.db2.gz NKCXVURYFZVQJG-UHFFFAOYSA-N 1 3 242.366 2.441 20 0 BEADHO CN1CCC=C(c2ccccc2C[NH+](C)C)C1 ZINC001241568098 982814349 /nfs/dbraw/zinc/81/43/49/982814349.db2.gz ANVVQTDMNWDYFI-UHFFFAOYSA-N 1 3 230.355 2.467 20 0 BEADHO CN1CCC=C(c2ccc3c(c2)[C@H]([NH3+])CC3)C1 ZINC001241572510 982827176 /nfs/dbraw/zinc/82/71/76/982827176.db2.gz ZKUCSLLAIKPJHC-OAHLLOKOSA-N 1 3 228.339 2.352 20 0 BEADHO CCC[C@@H](C)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001201553977 983310345 /nfs/dbraw/zinc/31/03/45/983310345.db2.gz RNCFYXCJBIRXEI-CYBMUJFWSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CCCSC)CCC[NH+](C)C ZINC001201697626 983410383 /nfs/dbraw/zinc/41/03/83/983410383.db2.gz KTYRLMISYUCYRB-UHFFFAOYSA-N 1 3 218.410 2.013 20 0 BEADHO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+][C@H]1C[C@@H](N)C1 ZINC001576647943 984178535 /nfs/dbraw/zinc/17/85/35/984178535.db2.gz VPPVAFJXEUYUTN-WYUUTHIRSA-N 1 3 210.365 2.281 20 0 BEADHO C1=C(c2ccc(CN3CCCCC3)cn2)C[NH2+]C1 ZINC001243115418 984584206 /nfs/dbraw/zinc/58/42/06/984584206.db2.gz KPYOVSOBSPKRAT-UHFFFAOYSA-N 1 3 243.354 2.054 20 0 BEADHO C[N@H+](CCCN)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001578466475 985097388 /nfs/dbraw/zinc/09/73/88/985097388.db2.gz OERWNFQHXZDKSS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[N@@H+](CCCN)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001578466475 985097402 /nfs/dbraw/zinc/09/74/02/985097402.db2.gz OERWNFQHXZDKSS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO c1c(C[NH2+]CCC2CC2)sc2c1CNCC2 ZINC000688039710 985506391 /nfs/dbraw/zinc/50/63/91/985506391.db2.gz VYFSXSRMNPZWSK-UHFFFAOYSA-N 1 3 236.384 2.284 20 0 BEADHO COC1(C[NH2+]CC2(CN)CCC2)CCCCC1 ZINC001578930042 985531572 /nfs/dbraw/zinc/53/15/72/985531572.db2.gz NSVWFOZFSNMWKJ-UHFFFAOYSA-N 1 3 240.391 2.054 20 0 BEADHO COC[C@@H](CC(C)(C)C)[NH2+]CC1(CN)CCC1 ZINC001578960912 985560840 /nfs/dbraw/zinc/56/08/40/985560840.db2.gz PNWUFPRRDRIGLP-GFCCVEGCSA-N 1 3 242.407 2.156 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001578960531 985577595 /nfs/dbraw/zinc/57/75/95/985577595.db2.gz JJXRHMYIUFZZHL-AVGNSLFASA-N 1 3 242.407 2.168 20 0 BEADHO COC[C@H](CC(C)(C)C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001578960531 985577608 /nfs/dbraw/zinc/57/76/08/985577608.db2.gz JJXRHMYIUFZZHL-AVGNSLFASA-N 1 3 242.407 2.168 20 0 BEADHO Nc1nc2cc(C=CC3CC[NH2+]CC3)ccc2[nH]1 ZINC001243896849 985582694 /nfs/dbraw/zinc/58/26/94/985582694.db2.gz QLBWHFAJLUVMGT-OWOJBTEDSA-N 1 3 242.326 2.158 20 0 BEADHO Nc1nc2ccc(C=CC3CC[NH2+]CC3)cc2[nH]1 ZINC001243896849 985582706 /nfs/dbraw/zinc/58/27/06/985582706.db2.gz QLBWHFAJLUVMGT-OWOJBTEDSA-N 1 3 242.326 2.158 20 0 BEADHO NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC000688370551 985625635 /nfs/dbraw/zinc/62/56/35/985625635.db2.gz HNHYNMRSJHDYLZ-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC000688370551 985625649 /nfs/dbraw/zinc/62/56/49/985625649.db2.gz HNHYNMRSJHDYLZ-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]C[C@H]1CCCN(CCCC2CCC2)C1 ZINC000688370551 985625662 /nfs/dbraw/zinc/62/56/62/985625662.db2.gz HNHYNMRSJHDYLZ-CYBMUJFWSA-N 1 3 210.365 2.237 20 0 BEADHO C[NH+](C)CCOc1ccccc1C1=CNCCC1 ZINC001243950050 985642157 /nfs/dbraw/zinc/64/21/57/985642157.db2.gz LJTKBISXAUSVFW-UHFFFAOYSA-N 1 3 246.354 2.351 20 0 BEADHO C[C@@H]1CC(C)(C)C[C@](C)([NH2+]CC2CNC2)C1 ZINC001579420641 985882283 /nfs/dbraw/zinc/88/22/83/985882283.db2.gz SKACAHRRFPZETK-BXUZGUMPSA-N 1 3 224.392 2.400 20 0 BEADHO CCCN1C[C@@H]2C[NH+](CC3CCC3)C[C@H]2C1 ZINC001202791914 986310414 /nfs/dbraw/zinc/31/04/14/986310414.db2.gz GVTMKXUVCUXMBR-ZIAGYGMSSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@]1(C[N@@H+]2CCC[C@H](CCF)C2)CCCNC1 ZINC000689421679 986579164 /nfs/dbraw/zinc/57/91/64/986579164.db2.gz MGZCUYDGDYBFFS-ZIAGYGMSSA-N 1 3 242.382 2.448 20 0 BEADHO C[C@@]1(C[N@H+]2CCC[C@H](CCF)C2)CCCNC1 ZINC000689421679 986579182 /nfs/dbraw/zinc/57/91/82/986579182.db2.gz MGZCUYDGDYBFFS-ZIAGYGMSSA-N 1 3 242.382 2.448 20 0 BEADHO CC1(C)CC(N)CC(C)(C)[NH+]1[C@@H]1CCCOC1 ZINC001254367613 986588514 /nfs/dbraw/zinc/58/85/14/986588514.db2.gz KPVRZBQLAOGIGB-GFCCVEGCSA-N 1 3 240.391 2.146 20 0 BEADHO NC1CC([NH2+]CC2(C3CCC3)CCC2)C1 ZINC001580166546 986644753 /nfs/dbraw/zinc/64/47/53/986644753.db2.gz XHRXWUWJTDREBD-UHFFFAOYSA-N 1 3 208.349 2.036 20 0 BEADHO [NH3+]CC1(CN2CC[C@@H]2Cc2ccccc2)CC1 ZINC001580243974 986693416 /nfs/dbraw/zinc/69/34/16/986693416.db2.gz NGNMWYLETCDJJB-CQSZACIVSA-N 1 3 230.355 2.042 20 0 BEADHO NCC1(C[NH2+]CCC2CC=CC2)CCC1 ZINC001580243435 986697329 /nfs/dbraw/zinc/69/73/29/986697329.db2.gz GURMXYPTNUXVRU-UHFFFAOYSA-N 1 3 208.349 2.061 20 0 BEADHO [NH3+]C[C@@H]1CC[C@H](N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC001580258258 986715384 /nfs/dbraw/zinc/71/53/84/986715384.db2.gz LGXPSWIIKGJBMB-UNQGMJICSA-N 1 3 248.345 2.341 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN)cc1 ZINC001255779276 987069840 /nfs/dbraw/zinc/06/98/40/987069840.db2.gz AAQYVGDNTSARTN-OLZOCXBDSA-N 1 3 220.360 2.110 20 0 BEADHO CSCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693665680 987313095 /nfs/dbraw/zinc/31/30/95/987313095.db2.gz UEDLBMGMXLDDSO-GRYCIOLGSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693761924 987315673 /nfs/dbraw/zinc/31/56/73/987315673.db2.gz PTWDJZVVQCONPX-NJMOYASZSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)C[C@@H](C)S1 ZINC000697059074 987347643 /nfs/dbraw/zinc/34/76/43/987347643.db2.gz WMHVRXFLUFJBDV-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@@H]1CC[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246087702 987388500 /nfs/dbraw/zinc/38/85/00/987388500.db2.gz ZWXHGLQAHREZNT-LOWDOPEQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C)CN1 ZINC001246092594 987396479 /nfs/dbraw/zinc/39/64/79/987396479.db2.gz FBJKHLGYWMPOIM-RNJOBUHISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C)CN1 ZINC001246092588 987399086 /nfs/dbraw/zinc/39/90/86/987399086.db2.gz FBJKHLGYWMPOIM-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[NH2+][C@H]1CNC[C@@H]1C ZINC001246105682 987432709 /nfs/dbraw/zinc/43/27/09/987432709.db2.gz BZPHTLXVGIGPLH-XQHKEYJVSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](Cc1ccco1)[NH2+]C[C@H]1CC[C@@H](C)CN1 ZINC001246106237 987436039 /nfs/dbraw/zinc/43/60/39/987436039.db2.gz OQLPKGABNBPREF-JHJVBQTASA-N 1 3 236.359 2.188 20 0 BEADHO CC[C@H](C)OCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116404 987456655 /nfs/dbraw/zinc/45/66/55/987456655.db2.gz DWJITQKHVLKKSO-ZOBORPQBSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CNCC12CC2 ZINC001246127896 987476172 /nfs/dbraw/zinc/47/61/72/987476172.db2.gz CMIUNLFFJBWNMI-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCC[C@@H](C)[NH2+][C@H]1CNCC12CC2 ZINC001246128095 987478051 /nfs/dbraw/zinc/47/80/51/987478051.db2.gz DQVPHPJEXAMCEF-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO C1CC12CCC([NH2+][C@@H]1CNCC13CC3)CC2 ZINC001246133406 987489660 /nfs/dbraw/zinc/48/96/60/987489660.db2.gz NUMVBNNELROZRA-GFCCVEGCSA-N 1 3 220.360 2.051 20 0 BEADHO CC1(C)CCC[C@@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246136403 987495703 /nfs/dbraw/zinc/49/57/03/987495703.db2.gz WTSJIXYSZFDKFS-VXGBXAGGSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)CCC[C@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1CNC2 ZINC001246145790 987502700 /nfs/dbraw/zinc/50/27/00/987502700.db2.gz DYSQMZKCTMJWLT-IGQOVBAYSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)C[C@@H](C)C[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150680 987506142 /nfs/dbraw/zinc/50/61/42/987506142.db2.gz XLPXBTNZQBOPPA-XHJNMGKDSA-N 1 3 224.392 2.255 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246150679 987507862 /nfs/dbraw/zinc/50/78/62/987507862.db2.gz XLPXBTNZQBOPPA-XGFWRYKXSA-N 1 3 224.392 2.255 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1 ZINC001246178114 987547418 /nfs/dbraw/zinc/54/74/18/987547418.db2.gz HBDXDPGXHWKBAO-GPIFJYJGSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCN1 ZINC001246232773 987628830 /nfs/dbraw/zinc/62/88/30/987628830.db2.gz ZRSXQOGTKRSLIJ-BJJPWKGXSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CCCCc2ccccn2)CCN1 ZINC001246237242 987635764 /nfs/dbraw/zinc/63/57/64/987635764.db2.gz HEMOWHIGAUBTBO-ZFWWWQNUSA-N 1 3 247.386 2.134 20 0 BEADHO Cc1ccnc(CCC[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC001246241429 987643439 /nfs/dbraw/zinc/64/34/39/987643439.db2.gz RCACJZGTGMXVLC-ZFWWWQNUSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)CN)CC2 ZINC001246242285 987646083 /nfs/dbraw/zinc/64/60/83/987646083.db2.gz CQOOJSZQFADRIL-OAHLLOKOSA-N 1 3 246.398 2.427 20 0 BEADHO CC1(C)CCC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246283457 987678811 /nfs/dbraw/zinc/67/88/11/987678811.db2.gz CEIQGIYYLZREBG-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC001246283666 987679271 /nfs/dbraw/zinc/67/92/71/987679271.db2.gz XENXYSUKPLCSPY-QZKOUSHUSA-N 1 3 248.345 2.412 20 0 BEADHO CC[C@H]1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC001246292055 987686416 /nfs/dbraw/zinc/68/64/16/987686416.db2.gz WUXLKDWZZARFLX-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CSc2ccccc2C1 ZINC001246314929 987718692 /nfs/dbraw/zinc/71/86/92/987718692.db2.gz RHCCJNJWNLQCFL-VXGBXAGGSA-N 1 3 236.384 2.030 20 0 BEADHO Cc1ccc(C[C@H](C)NC[C@@H]([NH3+])C(C)C)cc1 ZINC001246333503 987741085 /nfs/dbraw/zinc/74/10/85/987741085.db2.gz RABNKXOZUHFBTK-DZGCQCFKSA-N 1 3 234.387 2.499 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246354097 987760168 /nfs/dbraw/zinc/76/01/68/987760168.db2.gz UKVPLUPGNJZPNX-BZPMIXESSA-N 1 3 248.370 2.053 20 0 BEADHO Fc1cccc(CC2(NC3CC[NH2+]CC3)CC2)c1 ZINC001246384254 987779360 /nfs/dbraw/zinc/77/93/60/987779360.db2.gz BMIVJQPJOVHLQF-UHFFFAOYSA-N 1 3 248.345 2.242 20 0 BEADHO Fc1cccc(CC2([NH2+]C3CCNCC3)CC2)c1 ZINC001246384254 987779370 /nfs/dbraw/zinc/77/93/70/987779370.db2.gz BMIVJQPJOVHLQF-UHFFFAOYSA-N 1 3 248.345 2.242 20 0 BEADHO CCCC1([NH2+][C@H]2CCN[C@H](C)C2)CCC1 ZINC001246390651 987779697 /nfs/dbraw/zinc/77/96/97/987779697.db2.gz YJWHDOPHOYMPIW-NEPJUHHUSA-N 1 3 210.365 2.439 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430955 987794312 /nfs/dbraw/zinc/79/43/12/987794312.db2.gz HQZOBZJCZUKCEB-AAEUAGOBSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)CC[C@H](C[NH2+]C2CCNCC2)C1 ZINC001246438442 987799170 /nfs/dbraw/zinc/79/91/70/987799170.db2.gz XYPYXKQMOJFIGQ-NSHDSACASA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)CCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246445424 987802232 /nfs/dbraw/zinc/80/22/32/987802232.db2.gz OCMBLVKOBNMREV-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246445424 987802236 /nfs/dbraw/zinc/80/22/36/987802236.db2.gz OCMBLVKOBNMREV-NEPJUHHUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1CC[C@H](C)C1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246493608 987846615 /nfs/dbraw/zinc/84/66/15/987846615.db2.gz ILPDFIFQCOYMSG-NNYUYHANSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499042 987852774 /nfs/dbraw/zinc/85/27/74/987852774.db2.gz RPGQDVYIJKLATB-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC001246539263 987906391 /nfs/dbraw/zinc/90/63/91/987906391.db2.gz GPBUZHPAQFDDKA-UPJWGTAASA-N 1 3 210.365 2.378 20 0 BEADHO CC[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC001246539263 987906401 /nfs/dbraw/zinc/90/64/01/987906401.db2.gz GPBUZHPAQFDDKA-UPJWGTAASA-N 1 3 210.365 2.378 20 0 BEADHO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246541813 987912410 /nfs/dbraw/zinc/91/24/10/987912410.db2.gz NSEKRSUTZPXJSL-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H](N)CC1 ZINC001246541813 987912417 /nfs/dbraw/zinc/91/24/17/987912417.db2.gz NSEKRSUTZPXJSL-UONOGXRCSA-N 1 3 242.407 2.251 20 0 BEADHO C[C@@H]1CC[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246559833 987984055 /nfs/dbraw/zinc/98/40/55/987984055.db2.gz TZIRKJMWUMGSHA-OUAUKWLOSA-N 1 3 232.318 2.091 20 0 BEADHO CCCCCC[C@@H](CC)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573693 988075535 /nfs/dbraw/zinc/07/55/35/988075535.db2.gz ZBXNORFYAXWRAS-MGPQQGTHSA-N 1 3 242.407 2.129 20 0 BEADHO CCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573693 988075550 /nfs/dbraw/zinc/07/55/50/988075550.db2.gz ZBXNORFYAXWRAS-MGPQQGTHSA-N 1 3 242.407 2.129 20 0 BEADHO CC[C@H](C[C@@H](C)CC)N1CC(C[NH2+]C)C1 ZINC001246593128 988178126 /nfs/dbraw/zinc/17/81/26/988178126.db2.gz AGEVLKBEWZHKMB-WCQYABFASA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH+]1CC(C)(CN)C1 ZINC001246602426 988215973 /nfs/dbraw/zinc/21/59/73/988215973.db2.gz XIKVOOBDSNPDFT-NWDGAFQWSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@H]([NH+]2CC3(CNC3)C2)CC(C)(C)C1 ZINC001246612078 988239501 /nfs/dbraw/zinc/23/95/01/988239501.db2.gz FKRKSSUGXRYANH-NEPJUHHUSA-N 1 3 222.376 2.106 20 0 BEADHO C1CCC2(C1)CCC[N@@H+](C1CCNCC1)C2 ZINC001246613022 988244848 /nfs/dbraw/zinc/24/48/48/988244848.db2.gz KFYGFIKBASBVCA-UHFFFAOYSA-N 1 3 222.376 2.395 20 0 BEADHO C1CCC2(C1)CCC[N@H+](C1CCNCC1)C2 ZINC001246613022 988244867 /nfs/dbraw/zinc/24/48/67/988244867.db2.gz KFYGFIKBASBVCA-UHFFFAOYSA-N 1 3 222.376 2.395 20 0 BEADHO C[C@H]1CC([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@H](C)C1 ZINC001246625029 988278769 /nfs/dbraw/zinc/27/87/69/988278769.db2.gz QTZNGDUNHBQJRF-GUIRCDHDSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@H]1CC([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@H](C)C1 ZINC001246625029 988278785 /nfs/dbraw/zinc/27/87/85/988278785.db2.gz QTZNGDUNHBQJRF-GUIRCDHDSA-N 1 3 236.403 2.495 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1CCC2(CNC2)C1 ZINC001246631532 988309711 /nfs/dbraw/zinc/30/97/11/988309711.db2.gz QHWNROSGGDKQJX-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1CCC2(CNC2)C1 ZINC001246631532 988309728 /nfs/dbraw/zinc/30/97/28/988309728.db2.gz QHWNROSGGDKQJX-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636224 988325134 /nfs/dbraw/zinc/32/51/34/988325134.db2.gz FQPZPGIEUVFHPP-FDYHWXHSSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636224 988325147 /nfs/dbraw/zinc/32/51/47/988325147.db2.gz FQPZPGIEUVFHPP-FDYHWXHSSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636231 988330869 /nfs/dbraw/zinc/33/08/69/988330869.db2.gz FQPZPGIEUVFHPP-YVECIDJPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246636231 988330886 /nfs/dbraw/zinc/33/08/86/988330886.db2.gz FQPZPGIEUVFHPP-YVECIDJPSA-N 1 3 208.349 2.001 20 0 BEADHO C1C[C@@H]2[C@@H](CC[N@@H+]2C2CCCCCC2)N1 ZINC001246642134 988347521 /nfs/dbraw/zinc/34/75/21/988347521.db2.gz ZIWUCUXKKPQASX-CHWSQXEVSA-N 1 3 208.349 2.145 20 0 BEADHO C1C[C@@H]2[C@@H](CC[N@H+]2C2CCCCCC2)N1 ZINC001246642134 988347535 /nfs/dbraw/zinc/34/75/35/988347535.db2.gz ZIWUCUXKKPQASX-CHWSQXEVSA-N 1 3 208.349 2.145 20 0 BEADHO CCCCC[C@@H](CC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653891 988380366 /nfs/dbraw/zinc/38/03/66/988380366.db2.gz BMGXNDCTDAUABS-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO CCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246653891 988380378 /nfs/dbraw/zinc/38/03/78/988380378.db2.gz BMGXNDCTDAUABS-NDBYEHHHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659785 988390532 /nfs/dbraw/zinc/39/05/32/988390532.db2.gz HENGGZJFUBQPRD-NWBUJAPZSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659785 988390541 /nfs/dbraw/zinc/39/05/41/988390541.db2.gz HENGGZJFUBQPRD-NWBUJAPZSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659786 988391483 /nfs/dbraw/zinc/39/14/83/988391483.db2.gz HENGGZJFUBQPRD-OFTGVCEQSA-N 1 3 222.376 2.090 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H](N)[C@@H]3C2)CC(C)(C)C1 ZINC001246659786 988391486 /nfs/dbraw/zinc/39/14/86/988391486.db2.gz HENGGZJFUBQPRD-OFTGVCEQSA-N 1 3 222.376 2.090 20 0 BEADHO CCCC[C@H](CCC)[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661464 988400359 /nfs/dbraw/zinc/40/03/59/988400359.db2.gz XRVVYGXYMYXATN-WUHRBBMRSA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@H](CCC)[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246661464 988400373 /nfs/dbraw/zinc/40/03/73/988400373.db2.gz XRVVYGXYMYXATN-WUHRBBMRSA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@@H](CCC)[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246667071 988409591 /nfs/dbraw/zinc/40/95/91/988409591.db2.gz XRVVYGXYMYXATN-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO CCCC[C@@H](CCC)[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246667071 988409597 /nfs/dbraw/zinc/40/95/97/988409597.db2.gz XRVVYGXYMYXATN-FVCCEPFGSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CNC3)C2)C[C@H]1C ZINC001246792230 988468361 /nfs/dbraw/zinc/46/83/61/988468361.db2.gz ORBVMOXMLUWNIW-MCIONIFRSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CCCC3(CNC3)C2)C[C@H]1C ZINC001246792230 988468372 /nfs/dbraw/zinc/46/83/72/988468372.db2.gz ORBVMOXMLUWNIW-MCIONIFRSA-N 1 3 236.403 2.497 20 0 BEADHO FC1(F)C[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246804722 988485550 /nfs/dbraw/zinc/48/55/50/988485550.db2.gz BPLFEVOMMVCCQM-MBYGNEARSA-N 1 3 242.313 2.001 20 0 BEADHO CCC(CC)[N@H+](CC)[C@H](C)CCNC ZINC001246838698 988524359 /nfs/dbraw/zinc/52/43/59/988524359.db2.gz DWTLEVBHJHPXBG-LLVKDONJSA-N 1 3 200.370 2.495 20 0 BEADHO CCC(CC)[N@@H+](CC)[C@H](C)CCNC ZINC001246838698 988524369 /nfs/dbraw/zinc/52/43/69/988524369.db2.gz DWTLEVBHJHPXBG-LLVKDONJSA-N 1 3 200.370 2.495 20 0 BEADHO CCCC[C@H](CC)[N@@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246842545 988546262 /nfs/dbraw/zinc/54/62/62/988546262.db2.gz CIJQFELMXXOATR-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC[C@H](CC)[N@H+]1C[C@H]2CCNC[C@H]2C1 ZINC001246842545 988546272 /nfs/dbraw/zinc/54/62/72/988546272.db2.gz CIJQFELMXXOATR-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO CCCC(CCC)[N@@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246846430 988553063 /nfs/dbraw/zinc/55/30/63/988553063.db2.gz NPDAZVZRNKDCEM-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CCCC(CCC)[N@H+]1C[C@@H]2CCNC[C@H]2C1 ZINC001246846430 988553071 /nfs/dbraw/zinc/55/30/71/988553071.db2.gz NPDAZVZRNKDCEM-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO Fc1ccc([C@H]2CCN(C3CC[NH2+]CC3)C2)cc1 ZINC001246849834 988560999 /nfs/dbraw/zinc/56/09/99/988560999.db2.gz SGYFDWFEYSHDGD-ZDUSSCGKSA-N 1 3 248.345 2.367 20 0 BEADHO Fc1ccc([C@H]2CC[N@@H+](C3CCNCC3)C2)cc1 ZINC001246849834 988561006 /nfs/dbraw/zinc/56/10/06/988561006.db2.gz SGYFDWFEYSHDGD-ZDUSSCGKSA-N 1 3 248.345 2.367 20 0 BEADHO Fc1ccc([C@H]2CC[N@H+](C3CCNCC3)C2)cc1 ZINC001246849834 988561018 /nfs/dbraw/zinc/56/10/18/988561018.db2.gz SGYFDWFEYSHDGD-ZDUSSCGKSA-N 1 3 248.345 2.367 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246850256 988562060 /nfs/dbraw/zinc/56/20/60/988562060.db2.gz BWOUWYNYSLOQBZ-IGQOVBAYSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246850256 988562065 /nfs/dbraw/zinc/56/20/65/988562065.db2.gz BWOUWYNYSLOQBZ-IGQOVBAYSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC(N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@@H](C)C1 ZINC001246867371 988619414 /nfs/dbraw/zinc/61/94/14/988619414.db2.gz OEVQJGQZKMAOAK-XUXIUFHCSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C)NC2)C2(CC2)C1 ZINC001246893423 988662945 /nfs/dbraw/zinc/66/29/45/988662945.db2.gz KUHBMHPBTLFWDA-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C)NC2)C2(CC2)C1 ZINC001246893423 988662952 /nfs/dbraw/zinc/66/29/52/988662952.db2.gz KUHBMHPBTLFWDA-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941457 988776763 /nfs/dbraw/zinc/77/67/63/988776763.db2.gz LADGKAAKUXQXKK-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCCC3(CCC3)C2)CCN1 ZINC001246941457 988776773 /nfs/dbraw/zinc/77/67/73/988776773.db2.gz LADGKAAKUXQXKK-CHWSQXEVSA-N 1 3 222.376 2.393 20 0 BEADHO CC[C@H](C[C@@H](C)CC)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246949545 988789026 /nfs/dbraw/zinc/78/90/26/988789026.db2.gz UBIVQKGRMBUJER-MEBFFEOJSA-N 1 3 224.392 2.351 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C/C=C/C1CC1 ZINC001326036393 989338991 /nfs/dbraw/zinc/33/89/91/989338991.db2.gz QKTGMJYVULWBSQ-PGLGOXFNSA-N 1 3 245.370 2.466 20 0 BEADHO Cc1cnc2ccccc2c1N[C@@H](C)C[NH+](C)C ZINC001326481696 989577663 /nfs/dbraw/zinc/57/76/63/989577663.db2.gz UMQLYSZUSJSWNN-LBPRGKRZSA-N 1 3 243.354 2.327 20 0 BEADHO C[C@@H](Cc1ccco1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258188508 991099617 /nfs/dbraw/zinc/09/96/17/991099617.db2.gz LJIZJNKPLWMBAL-MJBXVCDLSA-N 1 3 248.370 2.094 20 0 BEADHO C[C@@H](Cc1ccco1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258188508 991099627 /nfs/dbraw/zinc/09/96/27/991099627.db2.gz LJIZJNKPLWMBAL-MJBXVCDLSA-N 1 3 248.370 2.094 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001258335130 991261810 /nfs/dbraw/zinc/26/18/10/991261810.db2.gz XFIUVFMPDHFRIB-MNOVXSKESA-N 1 3 232.437 2.433 20 0 BEADHO CSC(C)(C)C[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001258335130 991261817 /nfs/dbraw/zinc/26/18/17/991261817.db2.gz XFIUVFMPDHFRIB-MNOVXSKESA-N 1 3 232.437 2.433 20 0 BEADHO C[C@H](CC1CC1)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258460587 991414280 /nfs/dbraw/zinc/41/42/80/991414280.db2.gz IWKNYLRXCMONKL-BNOWGMLFSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@H](CC1CC1)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258460587 991414288 /nfs/dbraw/zinc/41/42/88/991414288.db2.gz IWKNYLRXCMONKL-BNOWGMLFSA-N 1 3 222.376 2.059 20 0 BEADHO CCC[C@H](Cc1ccccc1)NC1(C[NH3+])CC1 ZINC001258654323 991585683 /nfs/dbraw/zinc/58/56/83/991585683.db2.gz NAUBVHXYJNLKSE-CQSZACIVSA-N 1 3 232.371 2.479 20 0 BEADHO CCN(CCC[NH+](C)C)C[C@@]1(C)CCCCO1 ZINC001560811590 991610395 /nfs/dbraw/zinc/61/03/95/991610395.db2.gz QFLRBUZCAJCLIO-CQSZACIVSA-N 1 3 242.407 2.219 20 0 BEADHO CC[NH+](CC)CCC[C@H](C)N1CCO[C@@H](C)C1 ZINC001258907559 991901021 /nfs/dbraw/zinc/90/10/21/991901021.db2.gz KMVMPSHGQDNYJK-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO C[N@@H+]1CC[C@@H](NC/C=C\C2CC2)CC1(C)C ZINC001261789257 992508028 /nfs/dbraw/zinc/50/80/28/992508028.db2.gz XYVJRJNCWOSORV-DSYXLKISSA-N 1 3 222.376 2.415 20 0 BEADHO C[N@H+]1CC[C@@H](NC/C=C\C2CC2)CC1(C)C ZINC001261789257 992508037 /nfs/dbraw/zinc/50/80/37/992508037.db2.gz XYVJRJNCWOSORV-DSYXLKISSA-N 1 3 222.376 2.415 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]2C1 ZINC001474757051 992523839 /nfs/dbraw/zinc/52/38/39/992523839.db2.gz OTAHFWVGBKLQIC-YNEHKIRRSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)(C)CC[C@@H]([NH3+])CN[C@H]1CCCC[C@@H]1O ZINC001575131074 992992785 /nfs/dbraw/zinc/99/27/85/992992785.db2.gz SFJJPJQTKQXKSP-AGIUHOORSA-N 1 3 242.407 2.033 20 0 BEADHO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]CC1(CN)CC1 ZINC001575136471 992999231 /nfs/dbraw/zinc/99/92/31/992999231.db2.gz WBBOMSXJABQHRI-WDEREUQCSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccncc1 ZINC001262672911 993015080 /nfs/dbraw/zinc/01/50/80/993015080.db2.gz QVMZLNXSSALERB-ZDUSSCGKSA-N 1 3 233.359 2.036 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H]1C ZINC001575498653 993057340 /nfs/dbraw/zinc/05/73/40/993057340.db2.gz NESMMTZNWRKVQZ-NDBYEHHHSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCN1 ZINC001575965755 993143611 /nfs/dbraw/zinc/14/36/11/993143611.db2.gz FHUSVRMKBZFBKR-WCQYABFASA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001576102172 993181120 /nfs/dbraw/zinc/18/11/20/993181120.db2.gz CBCVUDYRJWBFGG-RYUDHWBXSA-N 1 3 232.371 2.391 20 0 BEADHO [NH3+][C@H]1CCCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000378809308 993206458 /nfs/dbraw/zinc/20/64/58/993206458.db2.gz ZASUODYREVCHER-INIZCTEOSA-N 1 3 244.382 2.489 20 0 BEADHO CC1(C)C(C)(C)C1(C)NC[C@]12C[C@H]1C[NH2+]C2 ZINC001576366075 993277275 /nfs/dbraw/zinc/27/72/75/993277275.db2.gz UVGOSHYLKNMDHK-IINYFYTJSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@H](CC1CC1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC000379855309 993289160 /nfs/dbraw/zinc/28/91/60/993289160.db2.gz BSZWEZJIMBIUCZ-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](CC1CC1)[N@H+]1CCCC[C@@H](CN)C1 ZINC000379855309 993289168 /nfs/dbraw/zinc/28/91/68/993289168.db2.gz BSZWEZJIMBIUCZ-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000382302644 993447174 /nfs/dbraw/zinc/44/71/74/993447174.db2.gz NVFPKRRBQBNHPH-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000382302644 993447178 /nfs/dbraw/zinc/44/71/78/993447178.db2.gz NVFPKRRBQBNHPH-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO CCC(CC)(CN)C[NH2+]CC1CC=CC1 ZINC001577051838 993489619 /nfs/dbraw/zinc/48/96/19/993489619.db2.gz BKFAGFQNVFLFLP-UHFFFAOYSA-N 1 3 210.365 2.307 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@H]1CCC[NH2+][C@H]1C ZINC000384501865 993591789 /nfs/dbraw/zinc/59/17/89/993591789.db2.gz XGZFJQHKJRMXJW-FRRDWIJNSA-N 1 3 236.359 2.188 20 0 BEADHO C[C@H](Cc1ccco1)NC[C@@H]1CCC[NH2+][C@@H]1C ZINC000384501867 993594666 /nfs/dbraw/zinc/59/46/66/993594666.db2.gz XGZFJQHKJRMXJW-UPJWGTAASA-N 1 3 236.359 2.188 20 0 BEADHO NC[C@H]1CCCC[N@H+](CCc2cccs2)C1 ZINC000390470306 993790749 /nfs/dbraw/zinc/79/07/49/993790749.db2.gz HCAXZRDXPYYVTC-GFCCVEGCSA-N 1 3 238.400 2.351 20 0 BEADHO NC[C@H]1CCCC[N@@H+](CCc2cccs2)C1 ZINC000390470306 993790760 /nfs/dbraw/zinc/79/07/60/993790760.db2.gz HCAXZRDXPYYVTC-GFCCVEGCSA-N 1 3 238.400 2.351 20 0 BEADHO CC(C)C[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001620483118 1170675601 /nfs/dbraw/zinc/67/56/01/1170675601.db2.gz DYCKRVVAAYYIBG-MJBXVCDLSA-N 1 3 224.392 2.305 20 0 BEADHO CC(C)C[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001620483118 1170675607 /nfs/dbraw/zinc/67/56/07/1170675607.db2.gz DYCKRVVAAYYIBG-MJBXVCDLSA-N 1 3 224.392 2.305 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000548918499 398138701 /nfs/dbraw/zinc/13/87/01/398138701.db2.gz AWNOTSNGIQMCNR-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000548918499 398138703 /nfs/dbraw/zinc/13/87/03/398138703.db2.gz AWNOTSNGIQMCNR-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1C[C@@H](C)C[C@@H]1C ZINC000548918499 398138705 /nfs/dbraw/zinc/13/87/05/398138705.db2.gz AWNOTSNGIQMCNR-STQMWFEESA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000548918491 398138899 /nfs/dbraw/zinc/13/88/99/398138899.db2.gz AWNOTSNGIQMCNR-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1C[C@H](C)C[C@H]1C ZINC000548918491 398138901 /nfs/dbraw/zinc/13/89/01/398138901.db2.gz AWNOTSNGIQMCNR-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1C[C@H](C)C[C@H]1C ZINC000548918491 398138904 /nfs/dbraw/zinc/13/89/04/398138904.db2.gz AWNOTSNGIQMCNR-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](COC)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000079713153 136210477 /nfs/dbraw/zinc/21/04/77/136210477.db2.gz YLBGBELYZLKZCT-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@H](COC)NC[C@H](C)C[NH+]1CCCCC1 ZINC000079713153 136210478 /nfs/dbraw/zinc/21/04/78/136210478.db2.gz YLBGBELYZLKZCT-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CCC1(CC)[C@H]([NH2+][C@H](C)C[C@H](C)N)C[C@@H]1OC ZINC000422943704 398159825 /nfs/dbraw/zinc/15/98/25/398159825.db2.gz RDGURCYWILVPJI-LOWDOPEQSA-N 1 3 242.407 2.296 20 0 BEADHO CCC1(CC)[C@H](N[C@H](C)C[C@H](C)[NH3+])C[C@@H]1OC ZINC000422943704 398159828 /nfs/dbraw/zinc/15/98/28/398159828.db2.gz RDGURCYWILVPJI-LOWDOPEQSA-N 1 3 242.407 2.296 20 0 BEADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H](N)C2)CCO1 ZINC000563426366 398171133 /nfs/dbraw/zinc/17/11/33/398171133.db2.gz UDXMUTMGCGKWFY-YIYPIFLZSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000301012145 349515928 /nfs/dbraw/zinc/51/59/28/349515928.db2.gz YZIPOXSYKJSEMR-RWMBFGLXSA-N 1 3 212.381 2.480 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000301012145 349515931 /nfs/dbraw/zinc/51/59/31/349515931.db2.gz YZIPOXSYKJSEMR-RWMBFGLXSA-N 1 3 212.381 2.480 20 0 BEADHO Cc1ccccc1OCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422943963 398160341 /nfs/dbraw/zinc/16/03/41/398160341.db2.gz LSNUCHAEAFPQTP-ZIAGYGMSSA-N 1 3 248.370 2.091 20 0 BEADHO Cc1ccccc1OCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422943962 398160367 /nfs/dbraw/zinc/16/03/67/398160367.db2.gz LSNUCHAEAFPQTP-UONOGXRCSA-N 1 3 248.370 2.091 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000301012145 349515934 /nfs/dbraw/zinc/51/59/34/349515934.db2.gz YZIPOXSYKJSEMR-RWMBFGLXSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@@H](C[NH2+][C@H](C)C[C@H](C)N)CC(F)(F)F ZINC000423174526 398164191 /nfs/dbraw/zinc/16/41/91/398164191.db2.gz CIAXKJHKAAOLBX-HRDYMLBCSA-N 1 3 226.286 2.290 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)CC(F)F ZINC000647801221 398207928 /nfs/dbraw/zinc/20/79/28/398207928.db2.gz RPGXYIBZMATDBU-HBNTYKKESA-N 1 3 234.334 2.385 20 0 BEADHO CC[C@@H](F)CN1CCC(CC[NH+](C)C)CC1 ZINC000440711800 398208402 /nfs/dbraw/zinc/20/84/02/398208402.db2.gz KIDPSDCYQGOANI-CYBMUJFWSA-N 1 3 230.371 2.398 20 0 BEADHO CCC(CC)C[N@H+](CC)CCCNC ZINC000042488144 168348415 /nfs/dbraw/zinc/34/84/15/168348415.db2.gz JEVYHJHADDTBSJ-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CCC(CC)C[N@@H+](CC)CCCNC ZINC000042488144 168348416 /nfs/dbraw/zinc/34/84/16/168348416.db2.gz JEVYHJHADDTBSJ-UHFFFAOYSA-N 1 3 200.370 2.354 20 0 BEADHO CC[C@@H](Cc1cccs1)N[C@H](C)C[NH3+] ZINC000643519430 398232005 /nfs/dbraw/zinc/23/20/05/398232005.db2.gz SPRJVBVPWHXFNW-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](Cc1cccs1)NCC1([NH3+])CCC1 ZINC000643517912 398231059 /nfs/dbraw/zinc/23/10/59/398231059.db2.gz YFLKIHYRZIWDDT-JTQLQIEISA-N 1 3 224.373 2.150 20 0 BEADHO CCC(CC)C[NH2+]CCCN1CCCC1 ZINC000020128966 168359840 /nfs/dbraw/zinc/35/98/40/168359840.db2.gz VVLPFMPCKGJJOE-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO Cc1cc([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)no1 ZINC000333893845 178256169 /nfs/dbraw/zinc/25/61/69/178256169.db2.gz YROOBKCGEOCFRD-UMSGYPCISA-N 1 3 249.358 2.022 20 0 BEADHO CC(C)CCCN(C)CC(C)(C)C[NH3+] ZINC000165550688 136227353 /nfs/dbraw/zinc/22/73/53/136227353.db2.gz XNGQEQWZGPGUQW-UHFFFAOYSA-N 1 3 200.370 2.339 20 0 BEADHO Cc1csc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000344647027 136231968 /nfs/dbraw/zinc/23/19/68/136231968.db2.gz WRUFZZUWJUCIIE-CMPLNLGQSA-N 1 3 224.373 2.274 20 0 BEADHO CCC(CC)[N@H+](CCOC)C[C@H]1CCCNC1 ZINC000042681750 168374279 /nfs/dbraw/zinc/37/42/79/168374279.db2.gz RSLLRDNOXXOJJV-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CCC(CC)[N@@H+](CCOC)C[C@H]1CCCNC1 ZINC000042681750 168374280 /nfs/dbraw/zinc/37/42/80/168374280.db2.gz RSLLRDNOXXOJJV-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000348109802 136234346 /nfs/dbraw/zinc/23/43/46/136234346.db2.gz ZITBKZLCCIZSGY-KBXIAJHMSA-N 1 3 234.387 2.391 20 0 BEADHO CN(C)C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172189505 346852928 /nfs/dbraw/zinc/85/29/28/346852928.db2.gz UUXZVKDFMGXJEI-ZDUSSCGKSA-N 1 3 208.349 2.121 20 0 BEADHO CCSCC[NH2+]C[C@H]1CCCCN(C)C1 ZINC000600188861 342698728 /nfs/dbraw/zinc/69/87/28/342698728.db2.gz FDGFFPOAAMPLLW-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@H]1CCCC[N@H+](C)C1 ZINC000600188861 342698729 /nfs/dbraw/zinc/69/87/29/342698729.db2.gz FDGFFPOAAMPLLW-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO CCSCCNC[C@H]1CCCC[N@@H+](C)C1 ZINC000600188861 342698730 /nfs/dbraw/zinc/69/87/30/342698730.db2.gz FDGFFPOAAMPLLW-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCCC(C)C)C1 ZINC000165428792 361840451 /nfs/dbraw/zinc/84/04/51/361840451.db2.gz QGKRRZMQHPDMKR-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000037220376 538962005 /nfs/dbraw/zinc/96/20/05/538962005.db2.gz RNEZHQYWTDRPNR-STQMWFEESA-N 1 3 247.386 2.463 20 0 BEADHO C[C@@H]1C[C@H]([NH+]2CCC(C)(C)CC2)CCN1 ZINC000197532331 539012398 /nfs/dbraw/zinc/01/23/98/539012398.db2.gz YJADHPWJQNQDBK-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO CCC[C@@H](C)CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625096965 342852017 /nfs/dbraw/zinc/85/20/17/342852017.db2.gz HSDDUOVEMFXCHE-MCIONIFRSA-N 1 3 224.392 2.354 20 0 BEADHO F[C@H]1CCC[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000559916300 398331582 /nfs/dbraw/zinc/33/15/82/398331582.db2.gz TUNDDQIWFRCZHI-UONOGXRCSA-N 1 3 240.366 2.341 20 0 BEADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000580312080 346893673 /nfs/dbraw/zinc/89/36/73/346893673.db2.gz JBZXBBDNZIAQFR-GHMZBOCLSA-N 1 3 239.388 2.326 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000228074329 398340869 /nfs/dbraw/zinc/34/08/69/398340869.db2.gz VYKQNWNZIKLTBF-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000228074348 398340879 /nfs/dbraw/zinc/34/08/79/398340879.db2.gz VYKQNWNZIKLTBF-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO CSC[C@H](C)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000229353114 398342736 /nfs/dbraw/zinc/34/27/36/398342736.db2.gz DJYDSQREWZXZJW-ZWKOPEQDSA-N 1 3 236.384 2.472 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000351856984 136257965 /nfs/dbraw/zinc/25/79/65/136257965.db2.gz AHWCYIIWZQIXEX-JVLSTEMRSA-N 1 3 248.345 2.482 20 0 BEADHO CC(C)N1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000020188921 342975893 /nfs/dbraw/zinc/97/58/93/342975893.db2.gz GKTFXBPXWYLGTJ-UHFFFAOYSA-N 1 3 248.370 2.355 20 0 BEADHO CSCCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000235179010 342990004 /nfs/dbraw/zinc/99/00/04/342990004.db2.gz KQYHCJBEQRIMEK-NEPJUHHUSA-N 1 3 230.421 2.379 20 0 BEADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000211967284 343017424 /nfs/dbraw/zinc/01/74/24/343017424.db2.gz RSSAORPTRDZZSI-BETUJISGSA-N 1 3 244.382 2.420 20 0 BEADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000211967284 343017426 /nfs/dbraw/zinc/01/74/26/343017426.db2.gz RSSAORPTRDZZSI-BETUJISGSA-N 1 3 244.382 2.420 20 0 BEADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000521272162 259344723 /nfs/dbraw/zinc/34/47/23/259344723.db2.gz SJVXEZYSOZHYDR-GUBZILKMSA-N 1 3 236.281 2.059 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000576862102 365705013 /nfs/dbraw/zinc/70/50/13/365705013.db2.gz IYVOWCWWWUSWBB-WOPDTQHZSA-N 1 3 212.381 2.399 20 0 BEADHO COCc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000093214619 343150999 /nfs/dbraw/zinc/15/09/99/343150999.db2.gz DDLVOUMZEQGFMK-GJZGRUSLSA-N 1 3 248.370 2.193 20 0 BEADHO CCc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000126775306 343171583 /nfs/dbraw/zinc/17/15/83/343171583.db2.gz ZVZJRIJMNSQSRI-QWRGUYRKSA-N 1 3 238.400 2.480 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2cccc3ncccc23)C1 ZINC000634687522 343241839 /nfs/dbraw/zinc/24/18/39/343241839.db2.gz OGXOUMMLBWIDLU-LBPRGKRZSA-N 1 3 241.338 2.015 20 0 BEADHO CCc1ccc(CC[N@@H+]2CCCNCC2)cc1 ZINC000041259819 343417618 /nfs/dbraw/zinc/41/76/18/343417618.db2.gz PXVNMRHDDMHZCI-UHFFFAOYSA-N 1 3 232.371 2.087 20 0 BEADHO CCc1ccc(CC[N@H+]2CCCNCC2)cc1 ZINC000041259819 343417621 /nfs/dbraw/zinc/41/76/21/343417621.db2.gz PXVNMRHDDMHZCI-UHFFFAOYSA-N 1 3 232.371 2.087 20 0 BEADHO CCN(CCC[NH+](C)C)CC1(SC)CC1 ZINC000349406082 136344928 /nfs/dbraw/zinc/34/49/28/136344928.db2.gz JVIPYVAOZNVVIC-UHFFFAOYSA-N 1 3 230.421 2.156 20 0 BEADHO CC[C@H]1CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501531 259360457 /nfs/dbraw/zinc/36/04/57/259360457.db2.gz BHVMEHSVEQMXNE-LJISPDSOSA-N 1 3 236.403 2.354 20 0 BEADHO COC(C)(C)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000178469012 536887756 /nfs/dbraw/zinc/88/77/56/536887756.db2.gz WZJKLEWIPBNNET-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO CSCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247974716 136373553 /nfs/dbraw/zinc/37/35/53/136373553.db2.gz HQCHMDAGYCLRQX-QWHCGFSZSA-N 1 3 242.432 2.156 20 0 BEADHO CSCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247974716 136373554 /nfs/dbraw/zinc/37/35/54/136373554.db2.gz HQCHMDAGYCLRQX-QWHCGFSZSA-N 1 3 242.432 2.156 20 0 BEADHO CC[C@@H]([NH2+]CCCN(CC)CC)C1CC1 ZINC000083054251 343475152 /nfs/dbraw/zinc/47/51/52/343475152.db2.gz RNMYOSFTTLGSCJ-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398626329 488220781 /nfs/dbraw/zinc/22/07/81/488220781.db2.gz HXPHVHJFWXJSAG-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398626329 488220785 /nfs/dbraw/zinc/22/07/85/488220785.db2.gz HXPHVHJFWXJSAG-ZDUSSCGKSA-N 1 3 210.365 2.380 20 0 BEADHO CC(C)(C)CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000083987797 343513354 /nfs/dbraw/zinc/51/33/54/343513354.db2.gz JSEAHXSPSQCWPC-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](CCC2CCC2)C[C@@H]1CN ZINC000398899098 488225638 /nfs/dbraw/zinc/22/56/38/488225638.db2.gz HDQKYRDYWUNLJW-DYEKYZERSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC2CCC2)C[C@@H]1CN ZINC000398899098 488225643 /nfs/dbraw/zinc/22/56/43/488225643.db2.gz HDQKYRDYWUNLJW-DYEKYZERSA-N 1 3 224.392 2.482 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000087646107 343656184 /nfs/dbraw/zinc/65/61/84/343656184.db2.gz SVFFDSYYQDXKEY-CHWSQXEVSA-N 1 3 212.381 2.400 20 0 BEADHO C/C=C\CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000384648555 343701840 /nfs/dbraw/zinc/70/18/40/343701840.db2.gz ABXPOWKYNNQWGV-QMEKQCQASA-N 1 3 208.349 2.073 20 0 BEADHO Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000044527747 343781295 /nfs/dbraw/zinc/78/12/95/343781295.db2.gz BQWKCBZTLUAYJR-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO C(C[NH2+][C@@H]1CC[C@H]1C1CC1)CN1CCCC1 ZINC000336650621 537819252 /nfs/dbraw/zinc/81/92/52/537819252.db2.gz DTUXKSVRIRVOSE-UONOGXRCSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cscn1 ZINC000570562630 323063110 /nfs/dbraw/zinc/06/31/10/323063110.db2.gz IEZBALPMFORWBE-ZJUUUORDSA-N 1 3 227.377 2.311 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000621777905 343903401 /nfs/dbraw/zinc/90/34/01/343903401.db2.gz IOPNTWHDPAVJLJ-CVEARBPZSA-N 1 3 244.382 2.432 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777905 343903402 /nfs/dbraw/zinc/90/34/02/343903402.db2.gz IOPNTWHDPAVJLJ-CVEARBPZSA-N 1 3 244.382 2.432 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000634732596 344106568 /nfs/dbraw/zinc/10/65/68/344106568.db2.gz KANCFADFESWRDK-NWDGAFQWSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCSC2)C1 ZINC000634732596 344106570 /nfs/dbraw/zinc/10/65/70/344106570.db2.gz KANCFADFESWRDK-NWDGAFQWSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000634732598 344106982 /nfs/dbraw/zinc/10/69/82/344106982.db2.gz KANCFADFESWRDK-VXGBXAGGSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCSC2)C1 ZINC000634732598 344106985 /nfs/dbraw/zinc/10/69/85/344106985.db2.gz KANCFADFESWRDK-VXGBXAGGSA-N 1 3 242.432 2.250 20 0 BEADHO CCC[C@@H](CNC[C@H]1CC[N@@H+](C(C)C)C1)OC ZINC000395209463 362348133 /nfs/dbraw/zinc/34/81/33/362348133.db2.gz UYAVHCMSMASGMU-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@@H](CNC[C@H]1CC[N@H+](C(C)C)C1)OC ZINC000395209463 362348138 /nfs/dbraw/zinc/34/81/38/362348138.db2.gz UYAVHCMSMASGMU-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@H]1CCN(C(C)C)C1)OC ZINC000395209463 362348142 /nfs/dbraw/zinc/34/81/42/362348142.db2.gz UYAVHCMSMASGMU-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO C/C=C/CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000384745579 344088126 /nfs/dbraw/zinc/08/81/26/344088126.db2.gz MWDYVSKAGUIYEJ-NKYARGOZSA-N 1 3 222.376 2.463 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093210437 344311879 /nfs/dbraw/zinc/31/18/79/344311879.db2.gz JPLZWDBXRKWRSG-FRRDWIJNSA-N 1 3 236.359 2.460 20 0 BEADHO C[C@H](CCc1ccco1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093210437 344311882 /nfs/dbraw/zinc/31/18/82/344311882.db2.gz JPLZWDBXRKWRSG-FRRDWIJNSA-N 1 3 236.359 2.460 20 0 BEADHO CC[C@H](C)C[N@H+](C)CC[C@H](N)C(C)C ZINC000133306317 344317849 /nfs/dbraw/zinc/31/78/49/344317849.db2.gz YEMUEODYKFDVIA-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H](C)C[N@@H+](C)CC[C@H](N)C(C)C ZINC000133306317 344317850 /nfs/dbraw/zinc/31/78/50/344317850.db2.gz YEMUEODYKFDVIA-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H](C)CN(C)CC[C@H]([NH3+])C(C)C ZINC000133306317 344317851 /nfs/dbraw/zinc/31/78/51/344317851.db2.gz YEMUEODYKFDVIA-RYUDHWBXSA-N 1 3 200.370 2.338 20 0 BEADHO C(CC1CCCCC1)N[C@H]1CCC[NH2+]C1 ZINC000043327112 344488815 /nfs/dbraw/zinc/48/88/15/344488815.db2.gz SIHJSYOHQLVKBK-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)[C@@H]1CCCNC1 ZINC000573967518 344580236 /nfs/dbraw/zinc/58/02/36/344580236.db2.gz SOZKQKOMJUXOMT-QNWHQSFQSA-N 1 3 228.355 2.245 20 0 BEADHO CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000039102033 344849968 /nfs/dbraw/zinc/84/99/68/344849968.db2.gz OXJYWERKFNGMGY-KGLIPLIRSA-N 1 3 218.344 2.246 20 0 BEADHO Cc1ccc([C@@H](C)CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000628191882 344946359 /nfs/dbraw/zinc/94/63/59/344946359.db2.gz YGSYAXSUPOHCLI-CWRNSKLLSA-N 1 3 244.382 2.250 20 0 BEADHO [NH3+]C[C@H]1CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000583428568 344947153 /nfs/dbraw/zinc/94/71/53/344947153.db2.gz GSARZHMAHIBHAP-CABZTGNLSA-N 1 3 240.297 2.182 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCc2ccco2)[C@H](C)C1 ZINC000155952323 345116133 /nfs/dbraw/zinc/11/61/33/345116133.db2.gz OISFXISJZCXXBA-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCc2ccco2)[C@H](C)C1 ZINC000155952323 345116135 /nfs/dbraw/zinc/11/61/35/345116135.db2.gz OISFXISJZCXXBA-TZMCWYRMSA-N 1 3 236.359 2.142 20 0 BEADHO C[C@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)c1ccccc1 ZINC000634998517 345198489 /nfs/dbraw/zinc/19/84/89/345198489.db2.gz GRUJHXNJCMVDAF-UMVBOHGHSA-N 1 3 232.371 2.317 20 0 BEADHO C[C@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)c1ccccc1 ZINC000634998517 345198490 /nfs/dbraw/zinc/19/84/90/345198490.db2.gz GRUJHXNJCMVDAF-UMVBOHGHSA-N 1 3 232.371 2.317 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634999617 345200653 /nfs/dbraw/zinc/20/06/53/345200653.db2.gz WZXDXGJGOXAFRM-YCPHGPKFSA-N 1 3 246.398 2.392 20 0 BEADHO C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634999617 345200654 /nfs/dbraw/zinc/20/06/54/345200654.db2.gz WZXDXGJGOXAFRM-YCPHGPKFSA-N 1 3 246.398 2.392 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000634999735 345200663 /nfs/dbraw/zinc/20/06/63/345200663.db2.gz YKJLQUOWKUPZSJ-YIYPIFLZSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CCC[C@@H](C)C2)C[C@H]1CN ZINC000634999735 345200664 /nfs/dbraw/zinc/20/06/64/345200664.db2.gz YKJLQUOWKUPZSJ-YIYPIFLZSA-N 1 3 224.392 2.339 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc2c1CCNC2)[C@@H]1C[C@H]1C ZINC000635002898 345205387 /nfs/dbraw/zinc/20/53/87/345205387.db2.gz AYSPRIQVLVUVIC-XHBSWPGZSA-N 1 3 244.382 2.466 20 0 BEADHO C1CC12CCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004435 345207724 /nfs/dbraw/zinc/20/77/24/345207724.db2.gz OKPUQSCNJGZVHD-ZGVCCVRISA-N 1 3 220.360 2.192 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004306 345207756 /nfs/dbraw/zinc/20/77/56/345207756.db2.gz OGBBHHGKVYFOSK-QJPTWQEYSA-N 1 3 208.349 2.036 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CNc2ccccc21 ZINC000635010079 345211921 /nfs/dbraw/zinc/21/19/21/345211921.db2.gz XYXZJZPIJCJWOG-YNEHKIRRSA-N 1 3 247.386 2.301 20 0 BEADHO COCCC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635010541 345212732 /nfs/dbraw/zinc/21/27/32/345212732.db2.gz KCJPBQAVPDBFGF-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012631 345214556 /nfs/dbraw/zinc/21/45/56/345214556.db2.gz UUFYOVUJMJSHED-NWDGAFQWSA-N 1 3 212.381 2.399 20 0 BEADHO COC[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000635009253 345216904 /nfs/dbraw/zinc/21/69/04/345216904.db2.gz GOGVGIBIIOSHNN-CHWSQXEVSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C(C)C ZINC000635009253 345216905 /nfs/dbraw/zinc/21/69/05/345216905.db2.gz GOGVGIBIIOSHNN-CHWSQXEVSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2cccnc2c1 ZINC000635020084 345223048 /nfs/dbraw/zinc/22/30/48/345223048.db2.gz JPJUARNHGKMZPP-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CCc2cccc(C)c2)C1 ZINC000449089289 201806688 /nfs/dbraw/zinc/80/66/88/201806688.db2.gz JSYONNPVYLXHHP-INIZCTEOSA-N 1 3 246.398 2.469 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]CC2(C)CC2)C1 ZINC000380295990 345469838 /nfs/dbraw/zinc/46/98/38/345469838.db2.gz CRWGXPQTHBWECT-GFCCVEGCSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000137675897 345685204 /nfs/dbraw/zinc/68/52/04/345685204.db2.gz KBOBVPBQYQBLRQ-ZDUSSCGKSA-N 1 3 210.365 2.204 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000224826144 345750376 /nfs/dbraw/zinc/75/03/76/345750376.db2.gz YOADTNPJWSPKEV-JQWIXIFHSA-N 1 3 222.332 2.083 20 0 BEADHO C[C@@H]1CCN(CCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000146473688 345713881 /nfs/dbraw/zinc/71/38/81/345713881.db2.gz JSFSIQWVRIGBLS-CHWSQXEVSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@@H]1CCN(CCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000146473688 345713883 /nfs/dbraw/zinc/71/38/83/345713883.db2.gz JSFSIQWVRIGBLS-CHWSQXEVSA-N 1 3 210.365 2.060 20 0 BEADHO CCOC[C@H]1CC[N@H+](CCCN(CC)CC)C1 ZINC000191803836 346064721 /nfs/dbraw/zinc/06/47/21/346064721.db2.gz STFGWMXFPZFRPY-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCOC[C@H]1CC[N@@H+](CCCN(CC)CC)C1 ZINC000191803836 346064723 /nfs/dbraw/zinc/06/47/23/346064723.db2.gz STFGWMXFPZFRPY-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@@H](C)[C@H]2C)C1 ZINC000381498345 346156551 /nfs/dbraw/zinc/15/65/51/346156551.db2.gz CEISMJMZVDSYLE-SYQHCUMBSA-N 1 3 224.392 2.351 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000577079237 365808092 /nfs/dbraw/zinc/80/80/92/365808092.db2.gz IVAAPRNUIIXZHS-GHMZBOCLSA-N 1 3 229.327 2.060 20 0 BEADHO Cc1ccccc1[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320071 537956487 /nfs/dbraw/zinc/95/64/87/537956487.db2.gz NZDSDZBHTWOTNB-BFHYXJOUSA-N 1 3 230.355 2.207 20 0 BEADHO CN(CCC[NH+](C)C)C[C@]1(C)CCCS1 ZINC000628277193 346286022 /nfs/dbraw/zinc/28/60/22/346286022.db2.gz GYRURWQGEWQLDM-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCNC2)[C@@H]1C ZINC000669378553 537968867 /nfs/dbraw/zinc/96/88/67/537968867.db2.gz GODLHYWPBQHANE-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCNC2)[C@@H]1C ZINC000669378553 537968870 /nfs/dbraw/zinc/96/88/70/537968870.db2.gz GODLHYWPBQHANE-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000126889262 179079709 /nfs/dbraw/zinc/07/97/09/179079709.db2.gz ZFEKOWXRNGNBGA-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1C ZINC000227054614 179080066 /nfs/dbraw/zinc/08/00/66/179080066.db2.gz NAHHXYBJRFSNQO-SWLSCSKDSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000049712993 179083174 /nfs/dbraw/zinc/08/31/74/179083174.db2.gz BHYVJULQJQUVOV-OCCSQVGLSA-N 1 3 218.344 2.164 20 0 BEADHO CC1(C)c2ccccc2CCN1CCC[NH3+] ZINC000641801726 362756685 /nfs/dbraw/zinc/75/66/85/362756685.db2.gz UESIHHUPWWOBKY-UHFFFAOYSA-N 1 3 218.344 2.129 20 0 BEADHO C[C@@H](c1cccnc1)N1CCC(CC[NH3+])CC1 ZINC000070183398 349967272 /nfs/dbraw/zinc/96/72/72/349967272.db2.gz NCYOIWGJBRIQQK-LBPRGKRZSA-N 1 3 233.359 2.203 20 0 BEADHO CSC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000300870451 346614074 /nfs/dbraw/zinc/61/40/74/346614074.db2.gz QOZFZHFPMZSVKY-NSHDSACASA-N 1 3 230.421 2.187 20 0 BEADHO C[C@H](C[NH2+][C@H](C)C1CCC1)CN1CCCC1 ZINC000178243743 346662598 /nfs/dbraw/zinc/66/25/98/346662598.db2.gz PCIZFYCSEUEDIC-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000300414166 346669415 /nfs/dbraw/zinc/66/94/15/346669415.db2.gz IOKHAGJBIWOBEY-BTTYYORXSA-N 1 3 242.407 2.262 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3c(c2)COC3)C1 ZINC000577204756 365877534 /nfs/dbraw/zinc/87/75/34/365877534.db2.gz IFJPBQVIMMEKTK-CABCVRRESA-N 1 3 246.354 2.076 20 0 BEADHO Cc1cccc([C@@H](C)N2CC[C@@H](C[NH3+])C2)c1 ZINC000251201747 179180255 /nfs/dbraw/zinc/18/02/55/179180255.db2.gz UQMWVBRNPKQUTF-OLZOCXBDSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CN)C2)c1 ZINC000251201747 179180258 /nfs/dbraw/zinc/18/02/58/179180258.db2.gz UQMWVBRNPKQUTF-OLZOCXBDSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CN)C2)c1 ZINC000251201747 179180259 /nfs/dbraw/zinc/18/02/59/179180259.db2.gz UQMWVBRNPKQUTF-OLZOCXBDSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@H](C)[N@@H+]2CCCO[C@H](CN)C2)c1 ZINC000313352776 179192627 /nfs/dbraw/zinc/19/26/27/179192627.db2.gz LTDOBSNNVSFANF-DZGCQCFKSA-N 1 3 248.370 2.106 20 0 BEADHO Cc1cccc([C@H](C)[N@H+]2CCCO[C@H](CN)C2)c1 ZINC000313352776 179192628 /nfs/dbraw/zinc/19/26/28/179192628.db2.gz LTDOBSNNVSFANF-DZGCQCFKSA-N 1 3 248.370 2.106 20 0 BEADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000577214409 365883941 /nfs/dbraw/zinc/88/39/41/365883941.db2.gz NBBFFGYFCBTARP-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1nc(C)c([C@H](C)NC[C@H](C)C[NH3+])s1 ZINC000054345902 347771016 /nfs/dbraw/zinc/77/10/16/347771016.db2.gz YSEXKBLJRHFAAW-SFYZADRCSA-N 1 3 227.377 2.005 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOC(C)(C)C ZINC000308722981 323177307 /nfs/dbraw/zinc/17/73/07/323177307.db2.gz FBDIXWRTDBIDFR-JHJVBQTASA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOC(C)(C)C ZINC000308722981 323177308 /nfs/dbraw/zinc/17/73/08/323177308.db2.gz FBDIXWRTDBIDFR-JHJVBQTASA-N 1 3 242.407 2.120 20 0 BEADHO Cc1cccnc1CN1CCC(C[NH+](C)C)CC1 ZINC000357303155 179374260 /nfs/dbraw/zinc/37/42/60/179374260.db2.gz IANPNMRLZKUCJX-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO COCCCCN(C)CCC[NH+]1CCCCC1 ZINC000419378087 192132631 /nfs/dbraw/zinc/13/26/31/192132631.db2.gz CONSYYJJANNYAH-UHFFFAOYSA-N 1 3 242.407 2.221 20 0 BEADHO CSCC1(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000596648940 348604360 /nfs/dbraw/zinc/60/43/60/348604360.db2.gz BOEUWFLMZBKRME-NEPJUHHUSA-N 1 3 242.432 2.237 20 0 BEADHO CCSC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000596650117 348605501 /nfs/dbraw/zinc/60/55/01/348605501.db2.gz GURNUVWSIHAHOM-NWDGAFQWSA-N 1 3 242.432 2.250 20 0 BEADHO CCSC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000596652891 348607048 /nfs/dbraw/zinc/60/70/48/348607048.db2.gz QNRCQODGEVXXOY-QWRGUYRKSA-N 1 3 228.405 2.132 20 0 BEADHO CCSC1(CN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000596652891 348607050 /nfs/dbraw/zinc/60/70/50/348607050.db2.gz QNRCQODGEVXXOY-QWRGUYRKSA-N 1 3 228.405 2.132 20 0 BEADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCCOC1 ZINC000070463750 490214730 /nfs/dbraw/zinc/21/47/30/490214730.db2.gz ADVDMASHOYPGNI-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCOC1 ZINC000070463750 490214735 /nfs/dbraw/zinc/21/47/35/490214735.db2.gz ADVDMASHOYPGNI-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCCOC1 ZINC000070463750 490214742 /nfs/dbraw/zinc/21/47/42/490214742.db2.gz ADVDMASHOYPGNI-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2CSC2(C)C)CC1(C)C ZINC000623516295 362940574 /nfs/dbraw/zinc/94/05/74/362940574.db2.gz LVMNBSJQJPTDOK-WDEREUQCSA-N 1 3 242.432 2.343 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2CSC2(C)C)CC1(C)C ZINC000623516295 362940578 /nfs/dbraw/zinc/94/05/78/362940578.db2.gz LVMNBSJQJPTDOK-WDEREUQCSA-N 1 3 242.432 2.343 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2CSC2(C)C)CC1(C)C ZINC000623516294 362940782 /nfs/dbraw/zinc/94/07/82/362940782.db2.gz LVMNBSJQJPTDOK-QWRGUYRKSA-N 1 3 242.432 2.343 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2CSC2(C)C)CC1(C)C ZINC000623516294 362940788 /nfs/dbraw/zinc/94/07/88/362940788.db2.gz LVMNBSJQJPTDOK-QWRGUYRKSA-N 1 3 242.432 2.343 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000253117809 349224600 /nfs/dbraw/zinc/22/46/00/349224600.db2.gz GUBGSODFOXBQMU-CYDGBPFRSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000601526228 349297770 /nfs/dbraw/zinc/29/77/70/349297770.db2.gz IVNMMXAXBOLJRI-ZDUSSCGKSA-N 1 3 247.386 2.416 20 0 BEADHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000388623664 349274418 /nfs/dbraw/zinc/27/44/18/349274418.db2.gz HZXHLGKKUQGSRF-VOAKCMCISA-N 1 3 210.365 2.425 20 0 BEADHO Cc1nc([C@@H](C)NC2CCC([NH3+])CC2)cs1 ZINC000051693998 180034196 /nfs/dbraw/zinc/03/41/96/180034196.db2.gz GPGIYESHMIAEAT-MFAVDMRSSA-N 1 3 239.388 2.372 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000384029353 350124562 /nfs/dbraw/zinc/12/45/62/350124562.db2.gz BRQAFALETJUUNW-FRRDWIJNSA-N 1 3 242.432 2.237 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C1CNC1 ZINC000422737340 192447833 /nfs/dbraw/zinc/44/78/33/192447833.db2.gz XJVBIDQZJJVKAO-DCQANWLSSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000422759478 192458159 /nfs/dbraw/zinc/45/81/59/192458159.db2.gz PGHQQDXYZSLXCJ-SLEUVZQESA-N 1 3 232.371 2.259 20 0 BEADHO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000162812159 350438339 /nfs/dbraw/zinc/43/83/39/350438339.db2.gz POBXYQPNWNRYIN-ZIAGYGMSSA-N 1 3 231.343 2.429 20 0 BEADHO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000162812159 350438342 /nfs/dbraw/zinc/43/83/42/350438342.db2.gz POBXYQPNWNRYIN-ZIAGYGMSSA-N 1 3 231.343 2.429 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300333417 490556916 /nfs/dbraw/zinc/55/69/16/490556916.db2.gz MJFNSLXGICIUJR-RNJOBUHISA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300333417 490556918 /nfs/dbraw/zinc/55/69/18/490556918.db2.gz MJFNSLXGICIUJR-RNJOBUHISA-N 1 3 240.416 2.097 20 0 BEADHO CCCC[C@@H](COC)[NH2+]C[C@H]1CCN(CC)C1 ZINC000163276774 350514937 /nfs/dbraw/zinc/51/49/37/350514937.db2.gz TVZCUCTWOKOXMN-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@@H](COC)NC[C@H]1CC[N@H+](CC)C1 ZINC000163276774 350514939 /nfs/dbraw/zinc/51/49/39/350514939.db2.gz TVZCUCTWOKOXMN-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCCC[C@@H](COC)NC[C@H]1CC[N@@H+](CC)C1 ZINC000163276774 350514941 /nfs/dbraw/zinc/51/49/41/350514941.db2.gz TVZCUCTWOKOXMN-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC000054603324 1172129990 /nfs/dbraw/zinc/12/99/90/1172129990.db2.gz QISYPVCTDYOBKY-MQVJKMGUSA-N 1 3 244.382 2.444 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)[C@H](C)N ZINC000577482028 365964397 /nfs/dbraw/zinc/96/43/97/365964397.db2.gz QYLFJAZPGMANPI-DTWKUNHWSA-N 1 3 228.286 2.450 20 0 BEADHO CC1(C)CC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000128606721 490583093 /nfs/dbraw/zinc/58/30/93/490583093.db2.gz QOJIGNUDMVFBJB-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689622 365992271 /nfs/dbraw/zinc/99/22/71/365992271.db2.gz ZQPUSVQSLFJNHX-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689622 365992273 /nfs/dbraw/zinc/99/22/73/365992273.db2.gz ZQPUSVQSLFJNHX-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO CSCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086501072 351165505 /nfs/dbraw/zinc/16/55/05/351165505.db2.gz KDGUJAZBECZYMI-NEPJUHHUSA-N 1 3 230.421 2.250 20 0 BEADHO CC[NH+](CC)CCCN(C)C[C@H]1CCCOC1 ZINC000177959347 366072351 /nfs/dbraw/zinc/07/23/51/366072351.db2.gz ZYVWLQSVCAYNJR-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@H+](C)C[C@H]1CCCOC1 ZINC000177959347 366072352 /nfs/dbraw/zinc/07/23/52/366072352.db2.gz ZYVWLQSVCAYNJR-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(CC)CCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000177959347 366072353 /nfs/dbraw/zinc/07/23/53/366072353.db2.gz ZYVWLQSVCAYNJR-CQSZACIVSA-N 1 3 242.407 2.077 20 0 BEADHO CCCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336738309 351984864 /nfs/dbraw/zinc/98/48/64/351984864.db2.gz RGSGHKRGJOPWON-GFCCVEGCSA-N 1 3 210.365 2.417 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CC1(F)F ZINC000638307193 352135612 /nfs/dbraw/zinc/13/56/12/352135612.db2.gz HQKXXMVNJPKCNH-VXGBXAGGSA-N 1 3 246.345 2.496 20 0 BEADHO CO[C@H](C[NH2+]CCCN(C)C(C)C)CC(C)C ZINC000638337016 352155057 /nfs/dbraw/zinc/15/50/57/352155057.db2.gz BGESOBXYEZSXSR-AWEZNQCLSA-N 1 3 244.423 2.367 20 0 BEADHO CC(C)N(C)CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638338186 352157722 /nfs/dbraw/zinc/15/77/22/352157722.db2.gz SUWINQCOLDCTSE-BTTYYORXSA-N 1 3 224.392 2.352 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638410239 352218046 /nfs/dbraw/zinc/21/80/46/352218046.db2.gz XRKAQNJBASTXQF-XQLPTFJDSA-N 1 3 236.403 2.354 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638452314 352263368 /nfs/dbraw/zinc/26/33/68/352263368.db2.gz XCLAYRJMVFJIIB-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ccsc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000044535259 352352090 /nfs/dbraw/zinc/35/20/90/352352090.db2.gz HUXGGGFSKHVCBI-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO Cc1ccsc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000044535259 352352092 /nfs/dbraw/zinc/35/20/92/352352092.db2.gz HUXGGGFSKHVCBI-LBPRGKRZSA-N 1 3 238.400 2.488 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H]1CCC[C@H](C)C1 ZINC000414955624 352375147 /nfs/dbraw/zinc/37/51/47/352375147.db2.gz MIMRHDPVBFORFV-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@H]2C)CCN1 ZINC000252931281 538103818 /nfs/dbraw/zinc/10/38/18/538103818.db2.gz BFFRSWMZRDXURF-FDYHWXHSSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H]2C)CCN1 ZINC000252931281 538103821 /nfs/dbraw/zinc/10/38/21/538103821.db2.gz BFFRSWMZRDXURF-FDYHWXHSSA-N 1 3 210.365 2.247 20 0 BEADHO N[C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000039170309 352586275 /nfs/dbraw/zinc/58/62/75/352586275.db2.gz AYSAWSQFBJHOIJ-AWEZNQCLSA-N 1 3 226.323 2.373 20 0 BEADHO N[C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000039170309 352586278 /nfs/dbraw/zinc/58/62/78/352586278.db2.gz AYSAWSQFBJHOIJ-AWEZNQCLSA-N 1 3 226.323 2.373 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000038917580 352567111 /nfs/dbraw/zinc/56/71/11/352567111.db2.gz MRWADXJLYWZRTH-OBJOEFQTSA-N 1 3 218.344 2.417 20 0 BEADHO C[N@H+](CC1CCCCC1)C[C@H]1CCCNC1 ZINC000042495610 352622341 /nfs/dbraw/zinc/62/23/41/352622341.db2.gz WMNPUBSJBQKVFX-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO C[N@@H+](CC1CCCCC1)C[C@H]1CCCNC1 ZINC000042495610 352622342 /nfs/dbraw/zinc/62/23/42/352622342.db2.gz WMNPUBSJBQKVFX-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO COC1([C@@H](C)[NH2+]CC[C@H]2CCCN2C)CCC1 ZINC000412026404 191240262 /nfs/dbraw/zinc/24/02/62/191240262.db2.gz SFFFXFRNNJKUTF-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@@H](C)NCC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000412026404 191240265 /nfs/dbraw/zinc/24/02/65/191240265.db2.gz SFFFXFRNNJKUTF-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO COC1([C@@H](C)NCC[C@H]2CCC[N@H+]2C)CCC1 ZINC000412026404 191240268 /nfs/dbraw/zinc/24/02/68/191240268.db2.gz SFFFXFRNNJKUTF-CHWSQXEVSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)C1(C[NH2+]CC2=CCN(C)CC2)CC1 ZINC000638838012 353022376 /nfs/dbraw/zinc/02/23/76/353022376.db2.gz BQXGNFQOIIKSGT-UHFFFAOYSA-N 1 3 222.376 2.274 20 0 BEADHO Cc1ccc(CC[NH2+]CC2=CCN(C)CC2)cc1 ZINC000638839022 353023270 /nfs/dbraw/zinc/02/32/70/353023270.db2.gz VCABPDZFKSYTCI-UHFFFAOYSA-N 1 3 244.382 2.389 20 0 BEADHO CCOC1CC(C[NH2+]CCCN(CC)CC)C1 ZINC000638862420 353031240 /nfs/dbraw/zinc/03/12/40/353031240.db2.gz CZJFTQMFRLAAKB-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638862731 353032289 /nfs/dbraw/zinc/03/22/89/353032289.db2.gz HSCWFGOFJVEEPL-GHMZBOCLSA-N 1 3 234.334 2.352 20 0 BEADHO CC(C)[NH+]1CCC(NC[C@@H]2CC[C@H](C)O2)CC1 ZINC000127735989 188085054 /nfs/dbraw/zinc/08/50/54/188085054.db2.gz XEYDMXWZGFMNJA-JSGCOSHPSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)=CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000228840943 188156400 /nfs/dbraw/zinc/15/64/00/188156400.db2.gz AWPLBJJNGHPMOS-MJBXVCDLSA-N 1 3 222.376 2.463 20 0 BEADHO CC(C)[NH+]1CCC(N[C@H]2CSC2(C)C)CC1 ZINC000335630157 188162364 /nfs/dbraw/zinc/16/23/64/188162364.db2.gz DHJSJZJKLWVVSD-LBPRGKRZSA-N 1 3 242.432 2.343 20 0 BEADHO CCC[C@H](CC)[NH2+]C[C@H](C)CN(C)C ZINC000336681171 188164251 /nfs/dbraw/zinc/16/42/51/188164251.db2.gz HIMKVSUGUHINFC-RYUDHWBXSA-N 1 3 200.370 2.352 20 0 BEADHO Cc1cccc(C)c1CN(C)CCC[NH3+] ZINC000122157728 324032345 /nfs/dbraw/zinc/03/23/45/324032345.db2.gz KQZYFWVGNFBMRA-UHFFFAOYSA-N 1 3 206.333 2.084 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccs3)C[C@@H]21 ZINC000230126732 353473581 /nfs/dbraw/zinc/47/35/81/353473581.db2.gz FUMKYKSMYPIVMB-KGYLQXTDSA-N 1 3 236.384 2.307 20 0 BEADHO Fc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335267424 181011545 /nfs/dbraw/zinc/01/15/45/181011545.db2.gz GARLYKNGPGMKOM-BETUJISGSA-N 1 3 248.345 2.257 20 0 BEADHO CC(C)C[C@H]([NH3+])CN1CC[C@@H](C(C)C)C1 ZINC000230267725 363300916 /nfs/dbraw/zinc/30/09/16/363300916.db2.gz QERJDOVKCVVVFU-OLZOCXBDSA-N 1 3 212.381 2.338 20 0 BEADHO CCSCCNCCC[N@H+](C)C(C)C ZINC000230977573 363332235 /nfs/dbraw/zinc/33/22/35/363332235.db2.gz WKQLVBUDYMZBIR-UHFFFAOYSA-N 1 3 218.410 2.059 20 0 BEADHO CCSCCNCCC[N@@H+](C)C(C)C ZINC000230977573 363332241 /nfs/dbraw/zinc/33/22/41/363332241.db2.gz WKQLVBUDYMZBIR-UHFFFAOYSA-N 1 3 218.410 2.059 20 0 BEADHO CCSCC[NH2+]CCCN(C)C(C)C ZINC000230977573 363332244 /nfs/dbraw/zinc/33/22/44/363332244.db2.gz WKQLVBUDYMZBIR-UHFFFAOYSA-N 1 3 218.410 2.059 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743391 202018303 /nfs/dbraw/zinc/01/83/03/202018303.db2.gz XFZJFYVDUMPKFH-XGUBFFRZSA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743391 202018305 /nfs/dbraw/zinc/01/83/05/202018305.db2.gz XFZJFYVDUMPKFH-XGUBFFRZSA-N 1 3 234.387 2.249 20 0 BEADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000449743391 202018308 /nfs/dbraw/zinc/01/83/08/202018308.db2.gz XFZJFYVDUMPKFH-XGUBFFRZSA-N 1 3 234.387 2.249 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000344303881 354214167 /nfs/dbraw/zinc/21/41/67/354214167.db2.gz WOQDOQYJYXAVAG-LSDHHAIUSA-N 1 3 234.387 2.417 20 0 BEADHO C([NH2+][C@H]1CCCC12CCC2)[C@H]1CCCN1 ZINC000335128248 354774967 /nfs/dbraw/zinc/77/49/67/354774967.db2.gz GHDFMJRELIIYNO-NEPJUHHUSA-N 1 3 208.349 2.051 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCN1 ZINC000335128250 354775064 /nfs/dbraw/zinc/77/50/64/354775064.db2.gz GHDFMJRELIIYNO-NWDGAFQWSA-N 1 3 208.349 2.051 20 0 BEADHO CC1(C)CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000232796505 363384631 /nfs/dbraw/zinc/38/46/31/363384631.db2.gz BGLBKUKIQLXUSX-GFCCVEGCSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](C)CNC[C@H]1[NH2+]CCCC1(C)C ZINC000233823667 363408014 /nfs/dbraw/zinc/40/80/14/363408014.db2.gz UCVOYEGZLKEYEY-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C1CC(N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000335174025 354940821 /nfs/dbraw/zinc/94/08/21/354940821.db2.gz MUCMFTKQRGXWPY-WTIISPKJSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCCC1 ZINC000335197943 355031223 /nfs/dbraw/zinc/03/12/23/355031223.db2.gz RBMNJCASVNWZHE-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO C[NH+](C)C1CCN(CCC(C)(C)C)CC1 ZINC000113500064 355110060 /nfs/dbraw/zinc/11/00/60/355110060.db2.gz PPNHHMUECLOYBN-UHFFFAOYSA-N 1 3 212.381 2.449 20 0 BEADHO CC[C@H](CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)OC ZINC000412975345 191346145 /nfs/dbraw/zinc/34/61/45/191346145.db2.gz FQWNLYLJSXVHRP-BFHYXJOUSA-N 1 3 242.407 2.216 20 0 BEADHO CC[C@H](CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)OC ZINC000412975345 191346148 /nfs/dbraw/zinc/34/61/48/191346148.db2.gz FQWNLYLJSXVHRP-BFHYXJOUSA-N 1 3 242.407 2.216 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CC1(F)F ZINC000639245727 355274944 /nfs/dbraw/zinc/27/49/44/355274944.db2.gz BDXPBJKEAAFUSQ-AZWZAMPBSA-N 1 3 244.329 2.245 20 0 BEADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CC1(F)F ZINC000639245727 355274947 /nfs/dbraw/zinc/27/49/47/355274947.db2.gz BDXPBJKEAAFUSQ-AZWZAMPBSA-N 1 3 244.329 2.245 20 0 BEADHO [NH3+]CCCN1CCC(OCC2CCCC2)CC1 ZINC000414706792 191552009 /nfs/dbraw/zinc/55/20/09/191552009.db2.gz MVTMHYDRPHEUQV-UHFFFAOYSA-N 1 3 240.391 2.006 20 0 BEADHO Cc1nc2ccc(CN[C@@H](C)CC[NH3+])cc2s1 ZINC000414887268 191615734 /nfs/dbraw/zinc/61/57/34/191615734.db2.gz DFOPLEOQAPZIEB-VIFPVBQESA-N 1 3 249.383 2.432 20 0 BEADHO [NH3+]C[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000415030709 191658144 /nfs/dbraw/zinc/65/81/44/191658144.db2.gz FWWBSKCKDJMUOO-JOYOIKCWSA-N 1 3 240.297 2.182 20 0 BEADHO CC(C)C[NH+]1CCC(N[C@@H]2CCSC2)CC1 ZINC000166578474 355697151 /nfs/dbraw/zinc/69/71/51/355697151.db2.gz XZOCXCXLUHJANY-CYBMUJFWSA-N 1 3 242.432 2.202 20 0 BEADHO CC[C@](C)(C[NH2+]C[C@@H]1CCCCN(C)C1)OC ZINC000639345773 355791798 /nfs/dbraw/zinc/79/17/98/355791798.db2.gz ACOBQQIGVLEMGR-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@](C)(CNC[C@@H]1CCCC[N@H+](C)C1)OC ZINC000639345773 355791804 /nfs/dbraw/zinc/79/18/04/355791804.db2.gz ACOBQQIGVLEMGR-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@](C)(CNC[C@@H]1CCCC[N@@H+](C)C1)OC ZINC000639345773 355791807 /nfs/dbraw/zinc/79/18/07/355791807.db2.gz ACOBQQIGVLEMGR-UONOGXRCSA-N 1 3 242.407 2.123 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](CN)C[C@@H]2C)c(C)c1 ZINC000216042831 355802784 /nfs/dbraw/zinc/80/27/84/355802784.db2.gz GZXLNDPIBQVYBH-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](CN)C[C@@H]2C)c(C)c1 ZINC000216042831 355802788 /nfs/dbraw/zinc/80/27/88/355802788.db2.gz GZXLNDPIBQVYBH-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000216042831 355802790 /nfs/dbraw/zinc/80/27/90/355802790.db2.gz GZXLNDPIBQVYBH-KBPBESRZSA-N 1 3 232.371 2.473 20 0 BEADHO CCC1([NH+](C)C)CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000639378188 355911445 /nfs/dbraw/zinc/91/14/45/355911445.db2.gz FAHVPWONPKWEMS-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO CCC1(N(C)C)CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000639378188 355911450 /nfs/dbraw/zinc/91/14/50/355911450.db2.gz FAHVPWONPKWEMS-OLZOCXBDSA-N 1 3 224.392 2.449 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000582228972 355992315 /nfs/dbraw/zinc/99/23/15/355992315.db2.gz GKVSWVXCHYJPNZ-KBPBESRZSA-N 1 3 240.391 2.053 20 0 BEADHO CCc1cccc(CN2CC[C@H](C[NH3+])C2)c1 ZINC000420298745 192205233 /nfs/dbraw/zinc/20/52/33/192205233.db2.gz SMZFYNVKNNNXND-CQSZACIVSA-N 1 3 218.344 2.030 20 0 BEADHO CCc1cccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420302426 192206592 /nfs/dbraw/zinc/20/65/92/192206592.db2.gz GAXPOEPHCSXRPQ-WFASDCNBSA-N 1 3 232.371 2.418 20 0 BEADHO CCc1cccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420302424 192207029 /nfs/dbraw/zinc/20/70/29/192207029.db2.gz GAXPOEPHCSXRPQ-IUODEOHRSA-N 1 3 232.371 2.418 20 0 BEADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCc1ccsc1 ZINC000420316220 192213105 /nfs/dbraw/zinc/21/31/05/192213105.db2.gz LTTGZTURKISMBO-YPMHNXCESA-N 1 3 238.400 2.350 20 0 BEADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000420317665 192213525 /nfs/dbraw/zinc/21/35/25/192213525.db2.gz NPZDNQOBOLFFPA-JSGCOSHPSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000420317665 192213527 /nfs/dbraw/zinc/21/35/27/192213527.db2.gz NPZDNQOBOLFFPA-JSGCOSHPSA-N 1 3 248.370 2.079 20 0 BEADHO CN(CCCc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000420305030 192208429 /nfs/dbraw/zinc/20/84/29/192208429.db2.gz FTQKTLGMZMGRSD-OAHLLOKOSA-N 1 3 247.386 2.088 20 0 BEADHO C[N@H+](CCCc1ccncc1)[C@@H]1CCCNCC1 ZINC000420305030 192208432 /nfs/dbraw/zinc/20/84/32/192208432.db2.gz FTQKTLGMZMGRSD-OAHLLOKOSA-N 1 3 247.386 2.088 20 0 BEADHO C[N@@H+](CCCc1ccncc1)[C@@H]1CCCNCC1 ZINC000420305030 192208433 /nfs/dbraw/zinc/20/84/33/192208433.db2.gz FTQKTLGMZMGRSD-OAHLLOKOSA-N 1 3 247.386 2.088 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420307712 192209673 /nfs/dbraw/zinc/20/96/73/192209673.db2.gz CDTUGCHEWSGGHJ-KBPBESRZSA-N 1 3 240.391 2.149 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420307712 192209675 /nfs/dbraw/zinc/20/96/75/192209675.db2.gz CDTUGCHEWSGGHJ-KBPBESRZSA-N 1 3 240.391 2.149 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CC[C@@H]1CCCCO1 ZINC000420307712 192209677 /nfs/dbraw/zinc/20/96/77/192209677.db2.gz CDTUGCHEWSGGHJ-KBPBESRZSA-N 1 3 240.391 2.149 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000420312230 192209975 /nfs/dbraw/zinc/20/99/75/192209975.db2.gz RYRRBPFRLOPQTK-NXEZZACHSA-N 1 3 238.297 2.388 20 0 BEADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCCC(F)(F)F ZINC000420326091 192230247 /nfs/dbraw/zinc/23/02/47/192230247.db2.gz XAWZREKVUNHOHL-NXEZZACHSA-N 1 3 238.297 2.388 20 0 BEADHO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@@H](C)N)C2)cc1 ZINC000420357481 192220264 /nfs/dbraw/zinc/22/02/64/192220264.db2.gz HYDPUFQKESKLMN-HIFRSBDPSA-N 1 3 232.371 2.306 20 0 BEADHO Cc1ccc([C@@]2(C)CC[N@H+](C[C@@H](C)N)C2)cc1 ZINC000420357481 192220266 /nfs/dbraw/zinc/22/02/66/192220266.db2.gz HYDPUFQKESKLMN-HIFRSBDPSA-N 1 3 232.371 2.306 20 0 BEADHO C[NH2+]CCCN(C)CCCCC(F)(F)F ZINC000420395692 192236558 /nfs/dbraw/zinc/23/65/58/192236558.db2.gz UJEUOWWSPKLABR-UHFFFAOYSA-N 1 3 226.286 2.260 20 0 BEADHO CNCCC[N@H+](C)CCCCC(F)(F)F ZINC000420395692 192236560 /nfs/dbraw/zinc/23/65/60/192236560.db2.gz UJEUOWWSPKLABR-UHFFFAOYSA-N 1 3 226.286 2.260 20 0 BEADHO CNCCC[N@@H+](C)CCCCC(F)(F)F ZINC000420395692 192236562 /nfs/dbraw/zinc/23/65/62/192236562.db2.gz UJEUOWWSPKLABR-UHFFFAOYSA-N 1 3 226.286 2.260 20 0 BEADHO C[NH2+]CCCN(C)CCCc1ccsc1 ZINC000420394859 192237309 /nfs/dbraw/zinc/23/73/09/192237309.db2.gz SDTNPLIMSAGANI-UHFFFAOYSA-N 1 3 226.389 2.222 20 0 BEADHO C[C@@H](NC[C@H](C)[NH3+])C(C)(C)c1ccccc1 ZINC000420411525 192239801 /nfs/dbraw/zinc/23/98/01/192239801.db2.gz RTDGAHDIGOZBKI-NWDGAFQWSA-N 1 3 220.360 2.290 20 0 BEADHO C[C@@H](NC[C@H](C)[NH3+])[C@H](C)c1ccccc1 ZINC000420417328 192240978 /nfs/dbraw/zinc/24/09/78/192240978.db2.gz WJVMFVFYXCDKBC-SDDRHHMPSA-N 1 3 206.333 2.115 20 0 BEADHO C[C@@H]1CSCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000190401218 356443295 /nfs/dbraw/zinc/44/32/95/356443295.db2.gz MHJLRLZVPMOKKX-STQMWFEESA-N 1 3 242.432 2.156 20 0 BEADHO C[C@@H]1CSCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000190401218 356443298 /nfs/dbraw/zinc/44/32/98/356443298.db2.gz MHJLRLZVPMOKKX-STQMWFEESA-N 1 3 242.432 2.156 20 0 BEADHO CCc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000336192237 134123667 /nfs/dbraw/zinc/12/36/67/134123667.db2.gz ICQADENSEVUUKG-CQSZACIVSA-N 1 3 233.359 2.174 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000336197083 134126904 /nfs/dbraw/zinc/12/69/04/134126904.db2.gz KGEHHXQTCKIYLX-TZMCWYRMSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H]1C1CCC1 ZINC000336197083 134126905 /nfs/dbraw/zinc/12/69/05/134126905.db2.gz KGEHHXQTCKIYLX-TZMCWYRMSA-N 1 3 222.376 2.251 20 0 BEADHO CCc1cc(N2CCN(C3CCC3)CC2)cc[nH+]1 ZINC000336203201 134131166 /nfs/dbraw/zinc/13/11/66/134131166.db2.gz LFLXWFHEONEWCI-UHFFFAOYSA-N 1 3 245.370 2.319 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000422968229 192530739 /nfs/dbraw/zinc/53/07/39/192530739.db2.gz QSUULEAQMAIMSV-NXEZZACHSA-N 1 3 238.297 2.307 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000423020525 192542990 /nfs/dbraw/zinc/54/29/90/192542990.db2.gz BUGJMQATQBEHBK-WUHRBBMRSA-N 1 3 242.407 2.296 20 0 BEADHO COC1CCC(CC[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000423036693 192548084 /nfs/dbraw/zinc/54/80/84/192548084.db2.gz LHKVAFMZXAKUFM-KBHBFKLGSA-N 1 3 242.407 2.297 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000563951296 356664831 /nfs/dbraw/zinc/66/48/31/356664831.db2.gz XUXHHLIASPAJBJ-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1cccs1 ZINC000259086653 491101953 /nfs/dbraw/zinc/10/19/53/491101953.db2.gz RNHWPKGUEOARJT-WDEREUQCSA-N 1 3 238.400 2.495 20 0 BEADHO C[NH+](C)C[C@H]1CCN(CC2=CCCCC2)C1 ZINC000450410542 202158057 /nfs/dbraw/zinc/15/80/57/202158057.db2.gz ZELLQCUZULJREI-CQSZACIVSA-N 1 3 222.376 2.370 20 0 BEADHO C[N@@H+]1CC[C@H](NCCc2ccccn2)CC1(C)C ZINC000623336601 356724730 /nfs/dbraw/zinc/72/47/30/356724730.db2.gz ZFAYUOVVQDSOGJ-AWEZNQCLSA-N 1 3 247.386 2.087 20 0 BEADHO C[N@H+]1CC[C@H](NCCc2ccccn2)CC1(C)C ZINC000623336601 356724731 /nfs/dbraw/zinc/72/47/31/356724731.db2.gz ZFAYUOVVQDSOGJ-AWEZNQCLSA-N 1 3 247.386 2.087 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@H](C)C[C@H](C)N ZINC000423151929 192592196 /nfs/dbraw/zinc/59/21/96/192592196.db2.gz KWJHBJWTSQHKAK-QWHCGFSZSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccnc1CCCN[C@H](C)C[C@H](C)[NH3+] ZINC000423151929 192592198 /nfs/dbraw/zinc/59/21/98/192592198.db2.gz KWJHBJWTSQHKAK-QWHCGFSZSA-N 1 3 235.375 2.038 20 0 BEADHO C[N@@H+]1CC[C@H](NC[C@H]2CCCCO2)CC1(C)C ZINC000623377440 356896481 /nfs/dbraw/zinc/89/64/81/356896481.db2.gz ZAARRMJNQDBTMJ-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@H+]1CC[C@H](NC[C@H]2CCCCO2)CC1(C)C ZINC000623377440 356896483 /nfs/dbraw/zinc/89/64/83/356896483.db2.gz ZAARRMJNQDBTMJ-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CCC[C@H]1CNC ZINC000261552916 535351002 /nfs/dbraw/zinc/35/10/02/535351002.db2.gz SBKRNRRZJPYGCU-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC(C)(C)CC[N@H+]1CCC[C@H]1CNC ZINC000261552916 535351005 /nfs/dbraw/zinc/35/10/05/535351005.db2.gz SBKRNRRZJPYGCU-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO FC(F)C1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000423210571 192629533 /nfs/dbraw/zinc/62/95/33/192629533.db2.gz JXJQZFCFZPSBEM-VOMCLLRMSA-N 1 3 246.345 2.400 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000390872665 357119221 /nfs/dbraw/zinc/11/92/21/357119221.db2.gz POUWKOKRRMDEJJ-AXFHLTTASA-N 1 3 232.318 2.281 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCC2(F)F)C1 ZINC000390872665 357119223 /nfs/dbraw/zinc/11/92/23/357119223.db2.gz POUWKOKRRMDEJJ-AXFHLTTASA-N 1 3 232.318 2.281 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000423277039 192670336 /nfs/dbraw/zinc/67/03/36/192670336.db2.gz PJGCQSRCUGGPLN-LOWDOPEQSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425916 357254322 /nfs/dbraw/zinc/25/43/22/357254322.db2.gz ZCZQTAQWMOVJPQ-FRRDWIJNSA-N 1 3 242.432 2.059 20 0 BEADHO CCC[C@H]([NH2+]C[C@@H](C)CNC)C1CCC1 ZINC000423280637 192673042 /nfs/dbraw/zinc/67/30/42/192673042.db2.gz VAPKRCHQNGAOLU-AAEUAGOBSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](NC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000582480736 357316953 /nfs/dbraw/zinc/31/69/53/357316953.db2.gz SPPVTESGEFCQHW-NRWUCQMLSA-N 1 3 240.391 2.063 20 0 BEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)C1(CC)CC ZINC000423298653 192686735 /nfs/dbraw/zinc/68/67/35/192686735.db2.gz AMXSXQYWMBMDQH-YNEHKIRRSA-N 1 3 242.407 2.155 20 0 BEADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCNC(C)C ZINC000582899111 357425323 /nfs/dbraw/zinc/42/53/23/357425323.db2.gz YQPPILHVGODZGU-UONOGXRCSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1ccc(CCCN(C)CCC[NH+](C)C)cn1 ZINC000582753323 357380720 /nfs/dbraw/zinc/38/07/20/357380720.db2.gz YGTYHFYGNHQILT-UHFFFAOYSA-N 1 3 249.402 2.206 20 0 BEADHO CN(C)CCOCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000231676044 357618245 /nfs/dbraw/zinc/61/82/45/357618245.db2.gz DBDSYGHMNJSRJZ-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[NH+](CCSCCN(C)C)C(C)C ZINC000192142656 357824384 /nfs/dbraw/zinc/82/43/84/357824384.db2.gz GZVZARMPNQASCO-UHFFFAOYSA-N 1 3 232.437 2.400 20 0 BEADHO CC[C@@H]([NH2+]CCCN(CC)CC)[C@H]1CCCO1 ZINC000191611577 357778988 /nfs/dbraw/zinc/77/89/88/357778988.db2.gz DYIQLGIZOCPFHD-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](NCCC[NH+](CC)CC)[C@H]1CCCO1 ZINC000191611577 357778991 /nfs/dbraw/zinc/77/89/91/357778991.db2.gz DYIQLGIZOCPFHD-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CN(CCC[NH3+])Cc1cccc2cccnc21 ZINC000020246149 357931709 /nfs/dbraw/zinc/93/17/09/357931709.db2.gz HCKUXVRYRMPLIL-UHFFFAOYSA-N 1 3 229.327 2.015 20 0 BEADHO COCc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000584517359 358028976 /nfs/dbraw/zinc/02/89/76/358028976.db2.gz VXYYTBQSEBVEFX-GJZGRUSLSA-N 1 3 248.370 2.193 20 0 BEADHO Cc1cc(C[NH2+]C[C@@H](N)C(C)C)c(C)s1 ZINC000584517276 358029305 /nfs/dbraw/zinc/02/93/05/358029305.db2.gz JZPAXECYTJOEAF-GFCCVEGCSA-N 1 3 226.389 2.438 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC2CC2)C1 ZINC000229692385 491119224 /nfs/dbraw/zinc/11/92/24/491119224.db2.gz HRPADKIECJKYNH-JSGCOSHPSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@H](Cc1cccs1)N[C@@H]1CCC[NH2+]CC1 ZINC000168723736 134247288 /nfs/dbraw/zinc/24/72/88/134247288.db2.gz ROZVKNNGDLVYSZ-VXGBXAGGSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCNCC1 ZINC000168723736 134247289 /nfs/dbraw/zinc/24/72/89/134247289.db2.gz ROZVKNNGDLVYSZ-VXGBXAGGSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000168755766 134247570 /nfs/dbraw/zinc/24/75/70/134247570.db2.gz DFMCYDCQSGUIIW-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+][C@H]1C[C@@H](NCC2CC2)c2ccccc21 ZINC000169232650 134249772 /nfs/dbraw/zinc/24/97/72/134249772.db2.gz MUEQIPSIOVLDGY-QWHCGFSZSA-N 1 3 202.301 2.131 20 0 BEADHO C[C@H](C[NH2+][C@H](C)Cc1cccs1)CN(C)C ZINC000390372784 491122109 /nfs/dbraw/zinc/12/21/09/491122109.db2.gz WIAAKQJBKNOCTN-VXGBXAGGSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000086402247 491123825 /nfs/dbraw/zinc/12/38/25/491123825.db2.gz VDNWWONLSFYFKI-WCFLWFBJSA-N 1 3 219.332 2.002 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+](C1CC1)C1CCCC1 ZINC000226435590 358339883 /nfs/dbraw/zinc/33/98/83/358339883.db2.gz FNJZHTOBJFDSGU-GFCCVEGCSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+](C1CC1)C1CCCC1 ZINC000226435590 358339885 /nfs/dbraw/zinc/33/98/85/358339885.db2.gz FNJZHTOBJFDSGU-GFCCVEGCSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226437325 358339901 /nfs/dbraw/zinc/33/99/01/358339901.db2.gz FBMBTGOZXWCKOA-IHRRRGAJSA-N 1 3 222.376 2.251 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226437325 358339903 /nfs/dbraw/zinc/33/99/03/358339903.db2.gz FBMBTGOZXWCKOA-IHRRRGAJSA-N 1 3 222.376 2.251 20 0 BEADHO COC[C@H]([NH2+][C@H]1C[C@@H](N)c2ccccc21)C(C)C ZINC000227541425 358359748 /nfs/dbraw/zinc/35/97/48/358359748.db2.gz QLNLWLKGTYEBDZ-ILXRZTDVSA-N 1 3 248.370 2.392 20 0 BEADHO Cc1cccc(CN(C)CCC[NH3+])c1C ZINC000227744874 358362990 /nfs/dbraw/zinc/36/29/90/358362990.db2.gz VEYKVCXRHNLTKQ-UHFFFAOYSA-N 1 3 206.333 2.084 20 0 BEADHO C[C@@H](CCN(C)CCC[NH3+])c1ccccc1 ZINC000227744509 358363146 /nfs/dbraw/zinc/36/31/46/358363146.db2.gz KODNGUBUBKGHTO-ZDUSSCGKSA-N 1 3 220.360 2.461 20 0 BEADHO C[C@@H](CC[N@H+](C)CCCN)c1ccccc1 ZINC000227744509 358363150 /nfs/dbraw/zinc/36/31/50/358363150.db2.gz KODNGUBUBKGHTO-ZDUSSCGKSA-N 1 3 220.360 2.461 20 0 BEADHO C[C@@H](CC[N@@H+](C)CCCN)c1ccccc1 ZINC000227744509 358363155 /nfs/dbraw/zinc/36/31/55/358363155.db2.gz KODNGUBUBKGHTO-ZDUSSCGKSA-N 1 3 220.360 2.461 20 0 BEADHO CC(C)=CCNC1CC[NH+](C(C)C)CC1 ZINC000219358647 134281164 /nfs/dbraw/zinc/28/11/64/134281164.db2.gz SFKNYQQJLHBXNS-UHFFFAOYSA-N 1 3 210.365 2.415 20 0 BEADHO COC[C@H](C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132077688 358705245 /nfs/dbraw/zinc/70/52/45/358705245.db2.gz UKTPNPCHGRIBIU-DDTOSNHZSA-N 1 3 234.343 2.003 20 0 BEADHO CN1CCCC[C@H]1CC[N@H+](C)CCCF ZINC000133836795 358769901 /nfs/dbraw/zinc/76/99/01/358769901.db2.gz UFKSOCAYYMWFSL-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO CN1CCCC[C@H]1CC[N@@H+](C)CCCF ZINC000133836795 358769905 /nfs/dbraw/zinc/76/99/05/358769905.db2.gz UFKSOCAYYMWFSL-LBPRGKRZSA-N 1 3 216.344 2.152 20 0 BEADHO FCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134870305 358808728 /nfs/dbraw/zinc/80/87/28/358808728.db2.gz VIKBEPBGGQMULS-OCCSQVGLSA-N 1 3 240.366 2.295 20 0 BEADHO FCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134870305 358808732 /nfs/dbraw/zinc/80/87/32/358808732.db2.gz VIKBEPBGGQMULS-OCCSQVGLSA-N 1 3 240.366 2.295 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000086404707 358968227 /nfs/dbraw/zinc/96/82/27/358968227.db2.gz SXPHMFZZMFGWJD-OLZOCXBDSA-N 1 3 222.376 2.282 20 0 BEADHO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423310721 192697722 /nfs/dbraw/zinc/69/77/22/192697722.db2.gz AVTWDKSCEOZMIZ-TZMCWYRMSA-N 1 3 224.392 2.400 20 0 BEADHO CCCCOCCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000247102376 359194357 /nfs/dbraw/zinc/19/43/57/359194357.db2.gz SLKJOVXCXFVEHJ-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CCCCOCCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000247102376 359194360 /nfs/dbraw/zinc/19/43/60/359194360.db2.gz SLKJOVXCXFVEHJ-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CN1CCC[C@H]2C[N@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958287 359249261 /nfs/dbraw/zinc/24/92/61/359249261.db2.gz FWVDWNAGQWSCES-QWHCGFSZSA-N 1 3 240.467 2.280 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](C[Si](C)(C)C)CC[C@H]21 ZINC000247958287 359249266 /nfs/dbraw/zinc/24/92/66/359249266.db2.gz FWVDWNAGQWSCES-QWHCGFSZSA-N 1 3 240.467 2.280 20 0 BEADHO C[N@@H+]1CCC[C@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000247958287 359249271 /nfs/dbraw/zinc/24/92/71/359249271.db2.gz FWVDWNAGQWSCES-QWHCGFSZSA-N 1 3 240.467 2.280 20 0 BEADHO C[N@H+]1CCC[C@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000247958287 359249277 /nfs/dbraw/zinc/24/92/77/359249277.db2.gz FWVDWNAGQWSCES-QWHCGFSZSA-N 1 3 240.467 2.280 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1cccc(OC)c1 ZINC000423433341 192767798 /nfs/dbraw/zinc/76/77/98/192767798.db2.gz CFOPZZZHFGUMMZ-GYSYKLTISA-N 1 3 236.359 2.472 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423449294 192773722 /nfs/dbraw/zinc/77/37/22/192773722.db2.gz GCRUOLWBVSFMQV-TVQXOTEMSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423564697 192812778 /nfs/dbraw/zinc/81/27/78/192812778.db2.gz YADHTHRCLWTXAS-SRVKXCTJSA-N 1 3 242.432 2.235 20 0 BEADHO CSCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000169241650 359877964 /nfs/dbraw/zinc/87/79/64/359877964.db2.gz NORLPCYEWBZECI-RYUDHWBXSA-N 1 3 222.357 2.084 20 0 BEADHO CCC1(CC)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000087254627 359904382 /nfs/dbraw/zinc/90/43/82/359904382.db2.gz XJBCAXZXKGEGOI-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO CCC1(CC)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000087254627 359904385 /nfs/dbraw/zinc/90/43/85/359904385.db2.gz XJBCAXZXKGEGOI-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccncc1 ZINC000089139913 359991598 /nfs/dbraw/zinc/99/15/98/359991598.db2.gz OOERCCOLKHSXKL-IACUBPJLSA-N 1 3 233.359 2.250 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)c1 ZINC000089150525 359993612 /nfs/dbraw/zinc/99/36/12/359993612.db2.gz ADWXGDFNDNTWQZ-HUUCEWRRSA-N 1 3 232.371 2.255 20 0 BEADHO COc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089144601 359992683 /nfs/dbraw/zinc/99/26/83/359992683.db2.gz HGLJZYKPAIQEFO-UKRRQHHQSA-N 1 3 248.370 2.302 20 0 BEADHO COc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089144607 359993166 /nfs/dbraw/zinc/99/31/66/359993166.db2.gz HGLJZYKPAIQEFO-ZFWWWQNUSA-N 1 3 248.370 2.302 20 0 BEADHO CC(C)COCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000089140452 359993174 /nfs/dbraw/zinc/99/31/74/359993174.db2.gz OWIPJBZMQJSRIS-UONOGXRCSA-N 1 3 242.407 2.156 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000309323172 491146859 /nfs/dbraw/zinc/14/68/59/491146859.db2.gz FQTSLOLDAYQWLA-UONOGXRCSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000090714548 360084401 /nfs/dbraw/zinc/08/44/01/360084401.db2.gz ZMTKJJBHRHCCOM-XJFOESAGSA-N 1 3 222.376 2.391 20 0 BEADHO COC[C@H](C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516222 360255549 /nfs/dbraw/zinc/25/55/49/360255549.db2.gz WNXBFUHQRUSFIV-RDBSUJKOSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000629407589 361055534 /nfs/dbraw/zinc/05/55/34/361055534.db2.gz FEKBEYQUKKYZEB-QNWJLWSRSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000629390396 361037737 /nfs/dbraw/zinc/03/77/37/361037737.db2.gz DXGNJMGBZWWQMZ-WUHRBBMRSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC000629390216 361037896 /nfs/dbraw/zinc/03/78/96/361037896.db2.gz ANRDGSIDMLDRBB-ZDEQEGDKSA-N 1 3 210.365 2.295 20 0 BEADHO [NH3+]CCCOCCNCc1ccccc1C1CC1 ZINC000629399197 361046962 /nfs/dbraw/zinc/04/69/62/361046962.db2.gz CQGRDBGYHPDTNB-UHFFFAOYSA-N 1 3 248.370 2.019 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000629408688 361059615 /nfs/dbraw/zinc/05/96/15/361059615.db2.gz YQAPAEYPJJESOA-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO CCC[C@@H](C)CCC[N@@H+]1CC[C@@H](CN)C1 ZINC000629511420 361105762 /nfs/dbraw/zinc/10/57/62/361105762.db2.gz ILYMBJYWXVFXCP-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@@H](C)CCC[N@H+]1CC[C@@H](CN)C1 ZINC000629511420 361105765 /nfs/dbraw/zinc/10/57/65/361105765.db2.gz ILYMBJYWXVFXCP-OLZOCXBDSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@@H](C)CCC[N@@H+]1CC[C@H](CN)C1 ZINC000629511419 361106106 /nfs/dbraw/zinc/10/61/06/361106106.db2.gz ILYMBJYWXVFXCP-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CCC[C@@H](C)CCC[N@H+]1CC[C@H](CN)C1 ZINC000629511419 361106110 /nfs/dbraw/zinc/10/61/10/361106110.db2.gz ILYMBJYWXVFXCP-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CCO[C@H](CN(C)CC[C@H]([NH3+])C(C)C)C1CC1 ZINC000629512951 361107101 /nfs/dbraw/zinc/10/71/01/361107101.db2.gz JQKOFCYDGHHODR-UONOGXRCSA-N 1 3 242.407 2.107 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCC1CC1 ZINC000629526951 361131982 /nfs/dbraw/zinc/13/19/82/361131982.db2.gz FVDANOFZHOXHJU-KGYLQXTDSA-N 1 3 210.365 2.295 20 0 BEADHO C[NH2+]CCOCCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000629530528 361144537 /nfs/dbraw/zinc/14/45/37/361144537.db2.gz JEHMYWIIVYZJLI-DOMZBBRYSA-N 1 3 248.370 2.061 20 0 BEADHO C[NH2+]CCOCCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000629530529 361144591 /nfs/dbraw/zinc/14/45/91/361144591.db2.gz JEHMYWIIVYZJLI-IUODEOHRSA-N 1 3 248.370 2.061 20 0 BEADHO CCC(F)(F)C(C)(C)CN[C@H](C)C1C[NH2+]C1 ZINC000629531379 361148940 /nfs/dbraw/zinc/14/89/40/361148940.db2.gz IXKBPSLZDWMYCE-SECBINFHSA-N 1 3 234.334 2.255 20 0 BEADHO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000629531379 361148943 /nfs/dbraw/zinc/14/89/43/361148943.db2.gz IXKBPSLZDWMYCE-SECBINFHSA-N 1 3 234.334 2.255 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1CC ZINC000629526281 361127430 /nfs/dbraw/zinc/12/74/30/361127430.db2.gz OTEGGOFFBJMZGW-YVECIDJPSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043657 370674323 /nfs/dbraw/zinc/67/43/23/370674323.db2.gz HBERAUSNUKQYJT-VWYCJHECSA-N 1 3 232.318 2.009 20 0 BEADHO NC1(C[NH2+]CCSc2ccccc2)CCC1 ZINC000342088870 181332487 /nfs/dbraw/zinc/33/24/87/181332487.db2.gz ATGIAIYVCACEIZ-UHFFFAOYSA-N 1 3 236.384 2.250 20 0 BEADHO CC[C@H](NCCOCCC[NH3+])c1cccs1 ZINC000629536802 361399900 /nfs/dbraw/zinc/39/99/00/361399900.db2.gz HNSGRIGHJDGKQH-NSHDSACASA-N 1 3 242.388 2.154 20 0 BEADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429581587 201118135 /nfs/dbraw/zinc/11/81/35/201118135.db2.gz USDHWQPKHDGZCK-CWSCBRNRSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000429593164 201121901 /nfs/dbraw/zinc/12/19/01/201121901.db2.gz VGMGOBHJHVFPPQ-BXKDBHETSA-N 1 3 249.358 2.018 20 0 BEADHO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCN[C@H]1C ZINC000629544334 361421544 /nfs/dbraw/zinc/42/15/44/361421544.db2.gz JWTNNYUBKWTILG-KXUCPTDWSA-N 1 3 238.297 2.448 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@H](C1CC1)C1CCCC1 ZINC000629544273 361423525 /nfs/dbraw/zinc/42/35/25/361423525.db2.gz HGTVOESKEOTSKD-GDLCADMTSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C1CC1)C1CCCC1 ZINC000629544273 361423527 /nfs/dbraw/zinc/42/35/27/361423527.db2.gz HGTVOESKEOTSKD-GDLCADMTSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000629545288 361425622 /nfs/dbraw/zinc/42/56/22/361425622.db2.gz BSUQRLPYQVSKAV-OBPIAQAESA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000629545288 361425624 /nfs/dbraw/zinc/42/56/24/361425624.db2.gz BSUQRLPYQVSKAV-OBPIAQAESA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1CC[C@@H](NC2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542616 361419345 /nfs/dbraw/zinc/41/93/45/361419345.db2.gz HCVFLMLLGOYKLK-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)CN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563981 361458369 /nfs/dbraw/zinc/45/83/69/361458369.db2.gz IUOSXGIKQBVYGU-UWVGGRQHSA-N 1 3 238.297 2.102 20 0 BEADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CCCC1CCC1)C2 ZINC000629593162 361484626 /nfs/dbraw/zinc/48/46/26/361484626.db2.gz GTXIMMOHRAYFKN-GASCZTMLSA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562479 361456728 /nfs/dbraw/zinc/45/67/28/361456728.db2.gz NJTGPKHQWSSJMX-LPEHRKFASA-N 1 3 238.297 2.244 20 0 BEADHO C[C@@H]([NH3+])c1ccc(CNCC2=CCCOC2)cc1 ZINC000629647912 361538772 /nfs/dbraw/zinc/53/87/72/361538772.db2.gz KCEUINMDEUNPBC-GFCCVEGCSA-N 1 3 246.354 2.143 20 0 BEADHO C[C@@H]([NH3+])c1ccc(CNCc2ccn(C)c2)cc1 ZINC000629648669 361541705 /nfs/dbraw/zinc/54/17/05/361541705.db2.gz YTMIPDIPDULOQS-GFCCVEGCSA-N 1 3 243.354 2.335 20 0 BEADHO Cc1cnccc1CNCc1ccc(C[NH3+])cc1 ZINC000629650326 361548519 /nfs/dbraw/zinc/54/85/19/361548519.db2.gz RGHNAFVRJLRAFY-UHFFFAOYSA-N 1 3 241.338 2.139 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000163800891 361579506 /nfs/dbraw/zinc/57/95/06/361579506.db2.gz KDMLGBXXXIQIKZ-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000629672447 361614103 /nfs/dbraw/zinc/61/41/03/361614103.db2.gz SDVACCIKBVSEIY-ZDEQEGDKSA-N 1 3 210.365 2.153 20 0 BEADHO C[NH2+]C[C@H]1CCN(C[C@@H](C)Cc2ccccc2)C1 ZINC000435377071 201264836 /nfs/dbraw/zinc/26/48/36/201264836.db2.gz XUHHPSSGITZWTN-GOEBONIOSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@H]1CC[N@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435377071 201264838 /nfs/dbraw/zinc/26/48/38/201264838.db2.gz XUHHPSSGITZWTN-GOEBONIOSA-N 1 3 246.398 2.407 20 0 BEADHO CNC[C@H]1CC[N@@H+](C[C@@H](C)Cc2ccccc2)C1 ZINC000435377071 201264840 /nfs/dbraw/zinc/26/48/40/201264840.db2.gz XUHHPSSGITZWTN-GOEBONIOSA-N 1 3 246.398 2.407 20 0 BEADHO C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CCCO1 ZINC000154413634 201277525 /nfs/dbraw/zinc/27/75/25/201277525.db2.gz HTCLUIDSMNLLHL-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CCN(Cc1cccc(N)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612985 201278726 /nfs/dbraw/zinc/27/87/26/201278726.db2.gz ILJZADQUCNMDIZ-HNNXBMFYSA-N 1 3 247.386 2.233 20 0 BEADHO CC[N@H+](CCCOC(C)C)[C@H]1CCCNCC1 ZINC000435615275 201279714 /nfs/dbraw/zinc/27/97/14/201279714.db2.gz PCKWINQKMTZFBF-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO CC[N@@H+](CCCOC(C)C)[C@H]1CCCNCC1 ZINC000435615275 201279717 /nfs/dbraw/zinc/27/97/17/201279717.db2.gz PCKWINQKMTZFBF-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO CC[N@H+](CCCCCOC)[C@H]1CCCNCC1 ZINC000435612307 201279936 /nfs/dbraw/zinc/27/99/36/201279936.db2.gz FMQIEEOGWYDWAB-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO CC[N@@H+](CCCCCOC)[C@H]1CCCNCC1 ZINC000435612307 201279938 /nfs/dbraw/zinc/27/99/38/201279938.db2.gz FMQIEEOGWYDWAB-AWEZNQCLSA-N 1 3 242.407 2.267 20 0 BEADHO C[NH2+]CCCN(C[C@H]1CCCO1)C1CCCC1 ZINC000435881571 201290554 /nfs/dbraw/zinc/29/05/54/201290554.db2.gz VMTOSGCLSAVZDG-CQSZACIVSA-N 1 3 240.391 2.020 20 0 BEADHO C[NH2+]CCCN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000435871734 201293045 /nfs/dbraw/zinc/29/30/45/201293045.db2.gz LJDMVYQHYQLNOR-ZFWWWQNUSA-N 1 3 232.371 2.474 20 0 BEADHO CCC[C@@H](Cc1ccccc1)[NH2+]CCCN ZINC000437769472 201372347 /nfs/dbraw/zinc/37/23/47/201372347.db2.gz FFNYCGGARSPUKG-AWEZNQCLSA-N 1 3 220.360 2.336 20 0 BEADHO NCCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000437793041 201375200 /nfs/dbraw/zinc/37/52/00/201375200.db2.gz MSIDOQKCNOZYRK-KBPBESRZSA-N 1 3 236.334 2.400 20 0 BEADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C)C1 ZINC000170793360 364245214 /nfs/dbraw/zinc/24/52/14/364245214.db2.gz ROUJKXLTOJKVGX-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C)C1 ZINC000170793360 364245217 /nfs/dbraw/zinc/24/52/17/364245217.db2.gz ROUJKXLTOJKVGX-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@H]2CCCC2(C)C)C[NH2+]1 ZINC000398955074 364280266 /nfs/dbraw/zinc/28/02/66/364280266.db2.gz HEKRGNVBYBPGQN-UTUOFQBUSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@@H]2CCC(C)(C)C2)C[NH2+]1 ZINC000398966806 364377051 /nfs/dbraw/zinc/37/70/51/364377051.db2.gz RSMHJGLQGWUPSO-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCCNc2ccccc2)C1 ZINC000573742776 364907724 /nfs/dbraw/zinc/90/77/24/364907724.db2.gz ZBMBYCGPSUHOLH-HIFRSBDPSA-N 1 3 247.386 2.348 20 0 BEADHO CC[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCO1 ZINC000182330852 366887129 /nfs/dbraw/zinc/88/71/29/366887129.db2.gz CUKRRPJXKRCUNA-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO CC[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000182330852 366887132 /nfs/dbraw/zinc/88/71/32/366887132.db2.gz CUKRRPJXKRCUNA-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+](CCCN)CC1CCC(C)(C)CC1 ZINC000379890394 365337807 /nfs/dbraw/zinc/33/78/07/365337807.db2.gz ZZTZDFVIGXJQKP-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO C[N@@H+](CCCN)CC1CCC(C)(C)CC1 ZINC000379890394 365337814 /nfs/dbraw/zinc/33/78/14/365337814.db2.gz ZZTZDFVIGXJQKP-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO CN(CCC[NH3+])CC1CCC(C)(C)CC1 ZINC000379890394 365337821 /nfs/dbraw/zinc/33/78/21/365337821.db2.gz ZZTZDFVIGXJQKP-UHFFFAOYSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1CCCO1 ZINC000182264430 366879195 /nfs/dbraw/zinc/87/91/95/366879195.db2.gz OPIULKKYDMHDCR-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCO1 ZINC000182264430 366879200 /nfs/dbraw/zinc/87/92/00/366879200.db2.gz OPIULKKYDMHDCR-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000182264430 366879208 /nfs/dbraw/zinc/87/92/08/366879208.db2.gz OPIULKKYDMHDCR-IHRRRGAJSA-N 1 3 240.391 2.018 20 0 BEADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cccc(O)c1 ZINC000576016231 365452205 /nfs/dbraw/zinc/45/22/05/365452205.db2.gz NLAIXZSVWJXSPF-ZDUSSCGKSA-N 1 3 248.370 2.214 20 0 BEADHO COCC[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000184509158 367080961 /nfs/dbraw/zinc/08/09/61/367080961.db2.gz RXKYJFXLVJEERP-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000579949631 367097573 /nfs/dbraw/zinc/09/75/73/367097573.db2.gz BCTISQIJHUKEOD-JHJVBQTASA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000579949631 367097575 /nfs/dbraw/zinc/09/75/75/367097575.db2.gz BCTISQIJHUKEOD-JHJVBQTASA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000579949631 367097577 /nfs/dbraw/zinc/09/75/77/367097577.db2.gz BCTISQIJHUKEOD-JHJVBQTASA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000579949633 367097679 /nfs/dbraw/zinc/09/76/79/367097679.db2.gz BCTISQIJHUKEOD-YNEHKIRRSA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000579949633 367097680 /nfs/dbraw/zinc/09/76/80/367097680.db2.gz BCTISQIJHUKEOD-YNEHKIRRSA-N 1 3 242.432 2.200 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000579949633 367097681 /nfs/dbraw/zinc/09/76/81/367097681.db2.gz BCTISQIJHUKEOD-YNEHKIRRSA-N 1 3 242.432 2.200 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H](C)C(C)(C)CC ZINC000581304714 367333936 /nfs/dbraw/zinc/33/39/36/367333936.db2.gz CJZLLZJOGUBTQI-MNOVXSKESA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC1)[C@@H]1CC2CCC1CC2 ZINC000382203939 367498254 /nfs/dbraw/zinc/49/82/54/367498254.db2.gz SBCVHUPVBMGWSG-MGYRSQIZSA-N 1 3 222.376 2.153 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000581424107 367465451 /nfs/dbraw/zinc/46/54/51/367465451.db2.gz WEIPMPADMSFXCD-GXFFZTMASA-N 1 3 231.343 2.052 20 0 BEADHO CC[C@H]([NH2+]CCCNC1CC1)C1CCC1 ZINC000382587890 367544766 /nfs/dbraw/zinc/54/47/66/367544766.db2.gz VZRYRLUZRYBFGY-ZDUSSCGKSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000382602025 367547955 /nfs/dbraw/zinc/54/79/55/367547955.db2.gz SLNHVBZATCPRIT-AAEUAGOBSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CCCC[C@H]1[NH2+]CCCNC1CC1 ZINC000382602027 367548628 /nfs/dbraw/zinc/54/86/28/367548628.db2.gz SLNHVBZATCPRIT-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH2+]C1CCNCC1)C1CCCC1 ZINC000382784984 367556772 /nfs/dbraw/zinc/55/67/72/367556772.db2.gz JVVPUYKJTVIBEC-CYBMUJFWSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)[C@H](C)O1 ZINC000385004769 367770821 /nfs/dbraw/zinc/77/08/21/367770821.db2.gz WEJBSAMKUBYYPR-HZSPNIEDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H](CCCO)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000384661496 367712956 /nfs/dbraw/zinc/71/29/56/367712956.db2.gz BHHYIPFWWQTSEQ-DFBGVHRSSA-N 1 3 248.370 2.129 20 0 BEADHO C[C@H](CCCO)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000384661498 367713468 /nfs/dbraw/zinc/71/34/68/367713468.db2.gz BHHYIPFWWQTSEQ-UGFHNGPFSA-N 1 3 248.370 2.129 20 0 BEADHO CC[NH2+]CC1CCN(Cc2ccncc2C)CC1 ZINC000385082744 367787047 /nfs/dbraw/zinc/78/70/47/367787047.db2.gz ZEGYYUBCNQTGQI-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)[C@H]1C ZINC000385617902 367847200 /nfs/dbraw/zinc/84/72/00/367847200.db2.gz ICDWINKKKHJHTB-SJHCENCUSA-N 1 3 210.365 2.138 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCNC2)[C@H]1C ZINC000386090845 367911316 /nfs/dbraw/zinc/91/13/16/367911316.db2.gz FVSQYSOAOFXZSM-VOAKCMCISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H]([NH2+]CCOC1CCCC1)[C@@H]1CCCCN1 ZINC000386034193 367900277 /nfs/dbraw/zinc/90/02/77/367900277.db2.gz RKNZQEJVDZCUJZ-JSGCOSHPSA-N 1 3 240.391 2.066 20 0 BEADHO COCCC(C)(C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386468229 367978901 /nfs/dbraw/zinc/97/89/01/367978901.db2.gz QCCSVSIAFMCKPI-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000387025119 368041795 /nfs/dbraw/zinc/04/17/95/368041795.db2.gz NGAYLCGCKNEZAR-RWMBFGLXSA-N 1 3 222.376 2.426 20 0 BEADHO C(=C/c1ccccc1)\CNCCC[NH+]1CCC1 ZINC000581954093 368019698 /nfs/dbraw/zinc/01/96/98/368019698.db2.gz JKKQETREZUKEQU-RUDMXATFSA-N 1 3 230.355 2.385 20 0 BEADHO CC[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)[C@@H](C)O ZINC000386835790 368025504 /nfs/dbraw/zinc/02/55/04/368025504.db2.gz IOKZGIZXRVLWKV-SYQHCUMBSA-N 1 3 242.407 2.046 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000387155261 368072304 /nfs/dbraw/zinc/07/23/04/368072304.db2.gz QAVXEBPTMQLYIX-SDDRHHMPSA-N 1 3 208.349 2.036 20 0 BEADHO Cc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)o1 ZINC000581997320 368098325 /nfs/dbraw/zinc/09/83/25/368098325.db2.gz WOCVBBBMJKYFMA-BXUZGUMPSA-N 1 3 236.359 2.108 20 0 BEADHO C[C@@H](CN(C)C[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000399697689 368487043 /nfs/dbraw/zinc/48/70/43/368487043.db2.gz BLUJAYOHLSOWSY-NWDGAFQWSA-N 1 3 212.381 2.210 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](CN)C2)c(C)c1 ZINC000631837281 369096309 /nfs/dbraw/zinc/09/63/09/369096309.db2.gz QPGYCBVYQTXIHP-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)c(C)c1 ZINC000631837281 369096313 /nfs/dbraw/zinc/09/63/13/369096313.db2.gz QPGYCBVYQTXIHP-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000631837281 369096318 /nfs/dbraw/zinc/09/63/18/369096318.db2.gz QPGYCBVYQTXIHP-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO CCSCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404326650 369426740 /nfs/dbraw/zinc/42/67/40/369426740.db2.gz VXLGOTMACRLXLR-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404326650 369426741 /nfs/dbraw/zinc/42/67/41/369426741.db2.gz VXLGOTMACRLXLR-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CCSCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404326650 369426744 /nfs/dbraw/zinc/42/67/44/369426744.db2.gz VXLGOTMACRLXLR-NWDGAFQWSA-N 1 3 230.421 2.189 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165293292 203383863 /nfs/dbraw/zinc/38/38/63/203383863.db2.gz VKQGXOPBVUMMTB-STQMWFEESA-N 1 3 224.392 2.495 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000165265670 203384272 /nfs/dbraw/zinc/38/42/72/203384272.db2.gz XHSPPKIHNBZQIZ-RYUDHWBXSA-N 1 3 210.365 2.106 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000621384335 370328276 /nfs/dbraw/zinc/32/82/76/370328276.db2.gz CCIHNBZXGNMDBN-NWINJMCUSA-N 1 3 222.376 2.249 20 0 BEADHO N[C@]12CCC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000621779042 370528331 /nfs/dbraw/zinc/52/83/31/370528331.db2.gz YXGQNIDZNHJHRW-GJZGRUSLSA-N 1 3 230.355 2.042 20 0 BEADHO N[C@]12CCC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000621779042 370528334 /nfs/dbraw/zinc/52/83/34/370528334.db2.gz YXGQNIDZNHJHRW-GJZGRUSLSA-N 1 3 230.355 2.042 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@H](C)[C@H]1CCCCO1 ZINC000623858810 371129291 /nfs/dbraw/zinc/12/92/91/371129291.db2.gz WOMFMHBBQFCXKY-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CCCCO1 ZINC000623858810 371129295 /nfs/dbraw/zinc/12/92/95/371129295.db2.gz WOMFMHBBQFCXKY-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623858810 371129301 /nfs/dbraw/zinc/12/93/01/371129301.db2.gz WOMFMHBBQFCXKY-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO CCC(CC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120452 371321110 /nfs/dbraw/zinc/32/11/10/371321110.db2.gz ZLROMBRVIKKLNY-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120445 371321268 /nfs/dbraw/zinc/32/12/68/371321268.db2.gz ZKEXPWFGPDJRIO-CHWSQXEVSA-N 1 3 212.381 2.352 20 0 BEADHO CCC(CC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120451 371321930 /nfs/dbraw/zinc/32/19/30/371321930.db2.gz ZLROMBRVIKKLNY-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCc2ncccc21)CN(C)C ZINC000631629759 372469000 /nfs/dbraw/zinc/46/90/00/372469000.db2.gz DGZYRUYANXHKCY-WFASDCNBSA-N 1 3 247.386 2.246 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCCc2ncccc21)CN(C)C ZINC000631629758 372469836 /nfs/dbraw/zinc/46/98/36/372469836.db2.gz DGZYRUYANXHKCY-SWLSCSKDSA-N 1 3 247.386 2.246 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336668548 169078263 /nfs/dbraw/zinc/07/82/63/169078263.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336668548 169078266 /nfs/dbraw/zinc/07/82/66/169078266.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CCC2CC2)C1 ZINC000336668548 169078267 /nfs/dbraw/zinc/07/82/67/169078267.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CCC2CC2)C1 ZINC000336668548 169078269 /nfs/dbraw/zinc/07/82/69/169078269.db2.gz PCQOUJZYDNKCQT-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336775835 169206861 /nfs/dbraw/zinc/20/68/61/169206861.db2.gz CURNRDASJNVYAR-LBPRGKRZSA-N 1 3 242.432 2.204 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000336781279 169207603 /nfs/dbraw/zinc/20/76/03/169207603.db2.gz UFNCUIPRWCHFME-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000309942947 169207937 /nfs/dbraw/zinc/20/79/37/169207937.db2.gz CGXZLYTYHQSSOW-CHWSQXEVSA-N 1 3 242.432 2.061 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000340197241 169208466 /nfs/dbraw/zinc/20/84/66/169208466.db2.gz DRSAVNJZBYNLOT-CHWSQXEVSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000340197244 169209315 /nfs/dbraw/zinc/20/93/15/169209315.db2.gz DRSAVNJZBYNLOT-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC2(C)C)C1 ZINC000309946591 169209473 /nfs/dbraw/zinc/20/94/73/169209473.db2.gz DOXOSQANLWWOOE-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO c1ccc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000169798599 183390699 /nfs/dbraw/zinc/39/06/99/183390699.db2.gz OHMAMUXDYVWLOM-AWEZNQCLSA-N 1 3 244.382 2.476 20 0 BEADHO c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCNC1)C2 ZINC000132241351 183446144 /nfs/dbraw/zinc/44/61/44/183446144.db2.gz KUATWQTZEKAICM-CJNGLKHVSA-N 1 3 244.382 2.133 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000309448323 171059055 /nfs/dbraw/zinc/05/90/55/171059055.db2.gz KLIBXGDXHUCYLI-MGPQQGTHSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccs2)C1 ZINC000069626871 383832372 /nfs/dbraw/zinc/83/23/72/383832372.db2.gz YWUQWTDDWTUTAH-GHMZBOCLSA-N 1 3 224.373 2.307 20 0 BEADHO C[C@@H]1OCC[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000119892264 383913217 /nfs/dbraw/zinc/91/32/17/383913217.db2.gz KZUBRNOTIIBNDQ-CMPLNLGQSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@@H]1OCC[C@H]1[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000119892264 383913219 /nfs/dbraw/zinc/91/32/19/383913219.db2.gz KZUBRNOTIIBNDQ-CMPLNLGQSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@H](O)CCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000227591082 134385397 /nfs/dbraw/zinc/38/53/97/134385397.db2.gz KIBVOUWEJBCZPR-IHRRRGAJSA-N 1 3 242.407 2.048 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1Cc1cccs1 ZINC000070534354 383935843 /nfs/dbraw/zinc/93/58/43/383935843.db2.gz IIZDIHPJDBSMKF-LLVKDONJSA-N 1 3 224.373 2.451 20 0 BEADHO CC(C)(C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072167904 384017920 /nfs/dbraw/zinc/01/79/20/384017920.db2.gz GLTCEZRXURMIEY-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000564973529 384051886 /nfs/dbraw/zinc/05/18/86/384051886.db2.gz NRQKIIISPOKHPD-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO CCC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000564973529 384051891 /nfs/dbraw/zinc/05/18/91/384051891.db2.gz NRQKIIISPOKHPD-ZIAGYGMSSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1C[C@H]1C ZINC000643549012 384038160 /nfs/dbraw/zinc/03/81/60/384038160.db2.gz YYMQXTFLMZFURU-NDBYEHHHSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@@H]1C ZINC000643548785 384038911 /nfs/dbraw/zinc/03/89/11/384038911.db2.gz VEQKJTLVHHFPMI-LPWJVIDDSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643549039 384039839 /nfs/dbraw/zinc/03/98/39/384039839.db2.gz ZJEOUXFIOBDNFN-AGIUHOORSA-N 1 3 222.376 2.439 20 0 BEADHO COc1ccc([C@@H](C)N(C)CCC[NH3+])cc1 ZINC000227744288 134392257 /nfs/dbraw/zinc/39/22/57/134392257.db2.gz ZKDIMNBAQPZYBP-LLVKDONJSA-N 1 3 222.332 2.037 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000070748374 384136086 /nfs/dbraw/zinc/13/60/86/384136086.db2.gz CIAKVSYCOLMDBW-CHWSQXEVSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1ccc(C)c(CNC2CC[NH+](C)CC2)c1 ZINC000042210065 384205853 /nfs/dbraw/zinc/20/58/53/384205853.db2.gz LGCVESMGJKAWRT-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1cncs1 ZINC000132994699 384221072 /nfs/dbraw/zinc/22/10/72/384221072.db2.gz MVALCZYLKAYMJN-JTQLQIEISA-N 1 3 227.377 2.136 20 0 BEADHO CCOC[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516169 384246078 /nfs/dbraw/zinc/24/60/78/384246078.db2.gz FMTKTDGDVANNIN-IHRRRGAJSA-N 1 3 242.407 2.312 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700119 384252419 /nfs/dbraw/zinc/25/24/19/384252419.db2.gz PJECVSPMODDHMB-XQLPTFJDSA-N 1 3 236.403 2.497 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403345044 384260948 /nfs/dbraw/zinc/26/09/48/384260948.db2.gz JROVBPHKGMLYNA-RGDJUOJXSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000159041773 384297158 /nfs/dbraw/zinc/29/71/58/384297158.db2.gz FCODEVGEWKTVMJ-CHWSQXEVSA-N 1 3 245.370 2.296 20 0 BEADHO CC1CC([NH2+]Cc2cccc3c2CCNC3)C1 ZINC000163740829 384350385 /nfs/dbraw/zinc/35/03/85/384350385.db2.gz MRUYNKYMYSSAKT-UHFFFAOYSA-N 1 3 230.355 2.220 20 0 BEADHO C[C@@H]1C[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CO1 ZINC000401979193 384359975 /nfs/dbraw/zinc/35/99/75/384359975.db2.gz ZJRACUSDOSFLLY-MNOVXSKESA-N 1 3 240.391 2.063 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)CO1 ZINC000401979193 384359981 /nfs/dbraw/zinc/35/99/81/384359981.db2.gz ZJRACUSDOSFLLY-MNOVXSKESA-N 1 3 240.391 2.063 20 0 BEADHO CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000084126068 384371097 /nfs/dbraw/zinc/37/10/97/384371097.db2.gz FNLXSRQDEQGQDY-CHWSQXEVSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000084126068 384371102 /nfs/dbraw/zinc/37/11/02/384371102.db2.gz FNLXSRQDEQGQDY-CHWSQXEVSA-N 1 3 210.365 2.106 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCc1ccccc1 ZINC000405431074 384330438 /nfs/dbraw/zinc/33/04/38/384330438.db2.gz AXRFRLMRLQEOND-KGLIPLIRSA-N 1 3 232.371 2.335 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCSC1 ZINC000300232773 384330880 /nfs/dbraw/zinc/33/08/80/384330880.db2.gz NAULQEGMBFCWCL-VXGBXAGGSA-N 1 3 230.421 2.045 20 0 BEADHO CC[C@@H](C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335620313 384396912 /nfs/dbraw/zinc/39/69/12/384396912.db2.gz XHUTXWDLBGKIBQ-CHWSQXEVSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H](NCCCC[NH+](C)C)c1ccccn1 ZINC000045663108 384402253 /nfs/dbraw/zinc/40/22/53/384402253.db2.gz YRJXFSHYTHJGQC-LBPRGKRZSA-N 1 3 221.348 2.074 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCCN[C@@H]2C)cc1 ZINC000335644672 384415686 /nfs/dbraw/zinc/41/56/86/384415686.db2.gz XBJXOTQPNIIXQC-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000084218675 384376985 /nfs/dbraw/zinc/37/69/85/384376985.db2.gz YJQHBJYHXIZKCU-FVCCEPFGSA-N 1 3 210.365 2.282 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccsc1 ZINC000084216789 384377013 /nfs/dbraw/zinc/37/70/13/384377013.db2.gz BPKXAXSPDWVTQP-NWDGAFQWSA-N 1 3 224.373 2.355 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000236314209 384387409 /nfs/dbraw/zinc/38/74/09/384387409.db2.gz BLTQVEPPMJVNQZ-ZIAGYGMSSA-N 1 3 230.355 2.013 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC2Cc3ccccc3C2)C1 ZINC000236314209 384387418 /nfs/dbraw/zinc/38/74/18/384387418.db2.gz BLTQVEPPMJVNQZ-ZIAGYGMSSA-N 1 3 230.355 2.013 20 0 BEADHO N[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000305898090 384429230 /nfs/dbraw/zinc/42/92/30/384429230.db2.gz SUYAMRCBBBDFJJ-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO N[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000305898090 384429234 /nfs/dbraw/zinc/42/92/34/384429234.db2.gz SUYAMRCBBBDFJJ-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCN2CCC[C@H]2C1)CC(F)F ZINC000647227018 384437064 /nfs/dbraw/zinc/43/70/64/384437064.db2.gz MHPXLQQJUSHISC-SRVKXCTJSA-N 1 3 246.345 2.494 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc2[nH]ccc2c1 ZINC000569330259 384471553 /nfs/dbraw/zinc/47/15/53/384471553.db2.gz DYVQYGRAFVHQJS-DZGCQCFKSA-N 1 3 243.354 2.180 20 0 BEADHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCO2)CC1 ZINC000149300860 384474101 /nfs/dbraw/zinc/47/41/01/384474101.db2.gz RICYKXYMXYDKMB-ZDUSSCGKSA-N 1 3 240.391 2.018 20 0 BEADHO CCC(CC)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422863274 384487323 /nfs/dbraw/zinc/48/73/23/384487323.db2.gz RNXPPDVLBYQAGJ-WCQYABFASA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CCCCCF)C[C@H]1CN ZINC000397397274 384512354 /nfs/dbraw/zinc/51/23/54/384512354.db2.gz POKCESQEZLGYLH-JHJVBQTASA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCCF)C[C@H]1CN ZINC000397397274 384512362 /nfs/dbraw/zinc/51/23/62/384512362.db2.gz POKCESQEZLGYLH-JHJVBQTASA-N 1 3 230.371 2.431 20 0 BEADHO C[C@@H]1C[C@@H](C)N(CCCCCF)C[C@H]1C[NH3+] ZINC000397397274 384512367 /nfs/dbraw/zinc/51/23/67/384512367.db2.gz POKCESQEZLGYLH-JHJVBQTASA-N 1 3 230.371 2.431 20 0 BEADHO CO[C@H](C)[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000358016540 384516402 /nfs/dbraw/zinc/51/64/02/384516402.db2.gz GSVMZWVJFGBLQW-CHWSQXEVSA-N 1 3 242.407 2.120 20 0 BEADHO C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCN4CCC[C@@H]4C3)[C@@H]12 ZINC000306073393 384543222 /nfs/dbraw/zinc/54/32/22/384543222.db2.gz DNFJOCUWIWKGKC-ARILJUKYSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)CCC[NH2+][C@H]1CCNCC1(C)C ZINC000300823415 384585380 /nfs/dbraw/zinc/58/53/80/384585380.db2.gz JAJRFKHZQPSEER-LBPRGKRZSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C[C@@H](C)CN1CCC(C)([NH3+])CC1 ZINC000647530793 384621743 /nfs/dbraw/zinc/62/17/43/384621743.db2.gz GFVMEVHKOAOLFD-GFCCVEGCSA-N 1 3 212.381 2.482 20 0 BEADHO Cc1ccc(CCCN2CCC(C)([NH3+])CC2)cn1 ZINC000647530823 384622709 /nfs/dbraw/zinc/62/27/09/384622709.db2.gz IXMGMSWEVQJAHR-UHFFFAOYSA-N 1 3 247.386 2.136 20 0 BEADHO C[C@H]([NH3+])C1CCN(Cc2cccc(F)c2)CC1 ZINC000111727053 384624847 /nfs/dbraw/zinc/62/48/47/384624847.db2.gz HEIXSWKMVIXGQT-NSHDSACASA-N 1 3 236.334 2.385 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCC(C)(C)C ZINC000300958963 384742984 /nfs/dbraw/zinc/74/29/84/384742984.db2.gz YFAGVUXRAUIKNV-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCC(C)(C)C ZINC000300958963 384742989 /nfs/dbraw/zinc/74/29/89/384742989.db2.gz YFAGVUXRAUIKNV-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2cnccc2c1 ZINC000647552276 384756180 /nfs/dbraw/zinc/75/61/80/384756180.db2.gz ORAZQCJKKCLVJT-NWDGAFQWSA-N 1 3 243.354 2.450 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1C[C@@H]2CCC[C@@H]2C1 ZINC000126282589 384763148 /nfs/dbraw/zinc/76/31/48/384763148.db2.gz MUFUSUGQYSZHNN-FRRDWIJNSA-N 1 3 210.365 2.092 20 0 BEADHO Cc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000107777981 384781680 /nfs/dbraw/zinc/78/16/80/384781680.db2.gz UAPBZOBJPOMNKY-CYBMUJFWSA-N 1 3 206.333 2.068 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000107777977 384784018 /nfs/dbraw/zinc/78/40/18/384784018.db2.gz UAPBZOBJPOMNKY-ZDUSSCGKSA-N 1 3 206.333 2.068 20 0 BEADHO C[C@H](CCC1CC1)NCC[C@H]1CCC[NH2+]1 ZINC000398197579 384838342 /nfs/dbraw/zinc/83/83/42/384838342.db2.gz DFYCISKINUNFDU-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000398087834 384799566 /nfs/dbraw/zinc/79/95/66/384799566.db2.gz OIXUWNZVIAKZEC-RAIGVLPGSA-N 1 3 210.365 2.425 20 0 BEADHO Cc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000335263312 384880682 /nfs/dbraw/zinc/88/06/82/384880682.db2.gz UWRYLOIOKGWHIP-ZWNOBZJWSA-N 1 3 238.400 2.473 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000335263312 384880695 /nfs/dbraw/zinc/88/06/95/384880695.db2.gz UWRYLOIOKGWHIP-ZWNOBZJWSA-N 1 3 238.400 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000335263312 384880698 /nfs/dbraw/zinc/88/06/98/384880698.db2.gz UWRYLOIOKGWHIP-ZWNOBZJWSA-N 1 3 238.400 2.473 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](N)c3ccccc32)O1 ZINC000398210644 384845740 /nfs/dbraw/zinc/84/57/40/384845740.db2.gz JIZISKGBRVKOKZ-HKCMKHECSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCSCC1 ZINC000423392457 384853180 /nfs/dbraw/zinc/85/31/80/384853180.db2.gz QFIITLSECDGRNR-WCFLWFBJSA-N 1 3 242.432 2.378 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423409071 384855611 /nfs/dbraw/zinc/85/56/11/384855611.db2.gz YMOGHPJDXQAMEX-VOAKCMCISA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H](CC[NH2+][C@H]1CO[C@H](C)C1)N1CCCCC1 ZINC000647201081 384889150 /nfs/dbraw/zinc/88/91/50/384889150.db2.gz ZUDQYYNJNXVMLR-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(CC[NH2+]C[C@H]2CCCNC2)c(C)c1 ZINC000259019427 384954712 /nfs/dbraw/zinc/95/47/12/384954712.db2.gz NWFISMAVAPWCBX-HNNXBMFYSA-N 1 3 246.398 2.435 20 0 BEADHO Cc1ccc(CCNC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000259019427 384954718 /nfs/dbraw/zinc/95/47/18/384954718.db2.gz NWFISMAVAPWCBX-HNNXBMFYSA-N 1 3 246.398 2.435 20 0 BEADHO C[C@@H]1C[C@H]([NH3+])CCN1CCc1ccccc1 ZINC000049708922 384897787 /nfs/dbraw/zinc/89/77/87/384897787.db2.gz NSBXMYHTQVVHAT-TZMCWYRMSA-N 1 3 218.344 2.041 20 0 BEADHO CCC[NH+]1CCC(NC[C@H](OC)C(C)C)CC1 ZINC000310201527 384903332 /nfs/dbraw/zinc/90/33/32/384903332.db2.gz AYJATNIRSJJMBH-AWEZNQCLSA-N 1 3 242.407 2.121 20 0 BEADHO Cc1ccsc1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000258800991 384936522 /nfs/dbraw/zinc/93/65/22/384936522.db2.gz CDTDFWSRGMEPPS-QWRGUYRKSA-N 1 3 224.373 2.068 20 0 BEADHO [NH3+][C@H]1CCC[C@H]1NCCc1c[nH]c2ccccc12 ZINC000258898313 384944651 /nfs/dbraw/zinc/94/46/51/384944651.db2.gz GDJRKYOWSKPSSZ-DZGCQCFKSA-N 1 3 243.354 2.180 20 0 BEADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)O1 ZINC000404274803 384966262 /nfs/dbraw/zinc/96/62/62/384966262.db2.gz AHFGYRZBYAPEPR-AAVRWANBSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCN)O1 ZINC000404274803 384966270 /nfs/dbraw/zinc/96/62/70/384966270.db2.gz AHFGYRZBYAPEPR-AAVRWANBSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1CC[C@H](CN2CCC[C@@H](C)[C@H]2CC[NH3+])O1 ZINC000404274803 384966274 /nfs/dbraw/zinc/96/62/74/384966274.db2.gz AHFGYRZBYAPEPR-AAVRWANBSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058041097 384979067 /nfs/dbraw/zinc/97/90/67/384979067.db2.gz IMUMZPSUQCFIOJ-GXTWGEPZSA-N 1 3 218.344 2.246 20 0 BEADHO CN(C[C@@H]1CCC[NH2+]C1)C1Cc2ccccc2C1 ZINC000226436965 385021838 /nfs/dbraw/zinc/02/18/38/385021838.db2.gz VMKRNJATFJZCIC-CYBMUJFWSA-N 1 3 244.382 2.085 20 0 BEADHO C[N@H+](C[C@@H]1CCCNC1)C1Cc2ccccc2C1 ZINC000226436965 385021843 /nfs/dbraw/zinc/02/18/43/385021843.db2.gz VMKRNJATFJZCIC-CYBMUJFWSA-N 1 3 244.382 2.085 20 0 BEADHO C[N@@H+](C[C@@H]1CCCNC1)C1Cc2ccccc2C1 ZINC000226436965 385021848 /nfs/dbraw/zinc/02/18/48/385021848.db2.gz VMKRNJATFJZCIC-CYBMUJFWSA-N 1 3 244.382 2.085 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000094868875 384986631 /nfs/dbraw/zinc/98/66/31/384986631.db2.gz JAJYPCRNVXSYEQ-VXGBXAGGSA-N 1 3 234.343 2.415 20 0 BEADHO C[C@@H]([NH2+]C1CCCCC1)[C@H]1CCCNC1 ZINC000129792431 385012786 /nfs/dbraw/zinc/01/27/86/385012786.db2.gz QZAHXWCKDGAGDS-NEPJUHHUSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](N)C2(C)C)c1 ZINC000404781579 385059555 /nfs/dbraw/zinc/05/95/55/385059555.db2.gz NKGGWAXUSVIZLX-OLZOCXBDSA-N 1 3 218.344 2.210 20 0 BEADHO Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cn1 ZINC000062051110 385152539 /nfs/dbraw/zinc/15/25/39/385152539.db2.gz BXYYLUDSKQGLCC-UHFFFAOYSA-N 1 3 247.386 2.352 20 0 BEADHO C1CC12C[C@H]2N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424373160 385154232 /nfs/dbraw/zinc/15/42/32/385154232.db2.gz IZVPWJXHJSGRMG-ZDEQEGDKSA-N 1 3 220.360 2.049 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H](C)[C@@H](C)OC)CC1 ZINC000130018936 385212343 /nfs/dbraw/zinc/21/23/43/385212343.db2.gz GLZWZSKOLHBPGA-QWHCGFSZSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1CN ZINC000164647140 385225868 /nfs/dbraw/zinc/22/58/68/385225868.db2.gz OWAHAIVCQBLUKP-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1CN ZINC000164647140 385225874 /nfs/dbraw/zinc/22/58/74/385225874.db2.gz OWAHAIVCQBLUKP-OCCSQVGLSA-N 1 3 224.392 2.483 20 0 BEADHO CCc1cc(NC2CCN(C)CC2)cc[nH+]1 ZINC000307771054 385256886 /nfs/dbraw/zinc/25/68/86/385256886.db2.gz NUUZVABEXRGANG-UHFFFAOYSA-N 1 3 219.332 2.150 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)CN(C)C ZINC000308881020 385235710 /nfs/dbraw/zinc/23/57/10/385235710.db2.gz UJVFUTQTIYIFQT-WOPDTQHZSA-N 1 3 212.381 2.208 20 0 BEADHO CC(C)CSCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000397452323 385293970 /nfs/dbraw/zinc/29/39/70/385293970.db2.gz MGSHCDUSHWRUMU-OLZOCXBDSA-N 1 3 244.448 2.483 20 0 BEADHO C[C@H](CN)C[NH2+]CC1CCC(C)(C)CC1 ZINC000308930763 385300986 /nfs/dbraw/zinc/30/09/86/385300986.db2.gz RFDALGBCLHKUAW-LLVKDONJSA-N 1 3 212.381 2.387 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2sccc21 ZINC000308976460 385329135 /nfs/dbraw/zinc/32/91/35/385329135.db2.gz IPUOYGCWHAPBCK-MWLCHTKSSA-N 1 3 224.373 2.310 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)[C@H]1C ZINC000308975992 385329403 /nfs/dbraw/zinc/32/94/03/385329403.db2.gz ILICCWGQNOLDCX-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2sccc21 ZINC000308976461 385330613 /nfs/dbraw/zinc/33/06/13/385330613.db2.gz IPUOYGCWHAPBCK-ONGXEEELSA-N 1 3 224.373 2.310 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228201046 385362033 /nfs/dbraw/zinc/36/20/33/385362033.db2.gz RBLQPORCPZTZAD-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CCSCC[NH2+]CCCN1CCCCC1 ZINC000308973694 385327539 /nfs/dbraw/zinc/32/75/39/385327539.db2.gz AOUBAHODQNWASG-UHFFFAOYSA-N 1 3 230.421 2.205 20 0 BEADHO CCSCCNCCC[NH+]1CCCCC1 ZINC000308973694 385327547 /nfs/dbraw/zinc/32/75/47/385327547.db2.gz AOUBAHODQNWASG-UHFFFAOYSA-N 1 3 230.421 2.205 20 0 BEADHO C[C@@H](CN)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309322349 385532357 /nfs/dbraw/zinc/53/23/57/385532357.db2.gz HIYIKCDAWQASOX-IDKOKCKLSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@H](CCc1ccccc1)NCC(C)(C)[NH3+] ZINC000309350316 385542114 /nfs/dbraw/zinc/54/21/14/385542114.db2.gz MJCUNGUOWQFBMH-GFCCVEGCSA-N 1 3 220.360 2.335 20 0 BEADHO Cc1c[nH+]ccc1N[C@H]1CCCN(C)[C@@H]1C ZINC000309375708 385555594 /nfs/dbraw/zinc/55/55/94/385555594.db2.gz COWGXTJESPAESA-YPMHNXCESA-N 1 3 219.332 2.285 20 0 BEADHO CN1CCC[C@H]1CC[N@H+](C)CCc1ccncc1 ZINC000181497620 385581289 /nfs/dbraw/zinc/58/12/89/385581289.db2.gz VGKNTIKTAWIGSF-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO CN1CCC[C@H]1CC[N@@H+](C)CCc1ccncc1 ZINC000181497620 385581290 /nfs/dbraw/zinc/58/12/90/385581290.db2.gz VGKNTIKTAWIGSF-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccccc1 ZINC000107785210 385583599 /nfs/dbraw/zinc/58/35/99/385583599.db2.gz YPCNYXVGEVQRDO-YPMHNXCESA-N 1 3 206.333 2.321 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CC1(C)C ZINC000309444124 385583980 /nfs/dbraw/zinc/58/39/80/385583980.db2.gz KXKPWEVJLZHUNY-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO COCCC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000309450770 385584973 /nfs/dbraw/zinc/58/49/73/385584973.db2.gz LBPZJGPMESWYDS-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO C[NH2+]C[C@H](C)CNC[C@H](C)c1ccc(F)cc1 ZINC000414848798 385619898 /nfs/dbraw/zinc/61/98/98/385619898.db2.gz XJSPDPKOJCANAQ-RYUDHWBXSA-N 1 3 238.350 2.374 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414848798 385619901 /nfs/dbraw/zinc/61/99/01/385619901.db2.gz XJSPDPKOJCANAQ-RYUDHWBXSA-N 1 3 238.350 2.374 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000414849770 385630335 /nfs/dbraw/zinc/63/03/35/385630335.db2.gz YNPNLMCOVZJLQZ-WUHRBBMRSA-N 1 3 212.381 2.256 20 0 BEADHO C(C[NH2+][C@@H]1CCC12CCC2)CN1CCCC1 ZINC000336683578 385648033 /nfs/dbraw/zinc/64/80/33/385648033.db2.gz SJQJNYQYBWHMQO-CYBMUJFWSA-N 1 3 222.376 2.395 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)CC)C1 ZINC000093064967 385651057 /nfs/dbraw/zinc/65/10/57/385651057.db2.gz XAFHMGNHQRVWDG-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CCSCCNC1CC[NH+](CC2CC2)CC1 ZINC000309521987 385659269 /nfs/dbraw/zinc/65/92/69/385659269.db2.gz ARNCOFVTPYJONS-UHFFFAOYSA-N 1 3 242.432 2.204 20 0 BEADHO CCS[C@H]1CCCCN(CCC[NH2+]C)C1 ZINC000309540730 385673615 /nfs/dbraw/zinc/67/36/15/385673615.db2.gz YFCLINMSDPHISE-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCS[C@H]1CCCC[N@H+](CCCNC)C1 ZINC000309540730 385673619 /nfs/dbraw/zinc/67/36/19/385673619.db2.gz YFCLINMSDPHISE-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO CCS[C@H]1CCCC[N@@H+](CCCNC)C1 ZINC000309540730 385673624 /nfs/dbraw/zinc/67/36/24/385673624.db2.gz YFCLINMSDPHISE-LBPRGKRZSA-N 1 3 230.421 2.204 20 0 BEADHO Cc1nc(CNCCC[C@@H]2CCC[NH2+]2)cs1 ZINC000309539893 385674634 /nfs/dbraw/zinc/67/46/34/385674634.db2.gz GFXLIYXOJDBDJE-LLVKDONJSA-N 1 3 239.388 2.073 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H](C)CC(C)C ZINC000414853098 385682169 /nfs/dbraw/zinc/68/21/69/385682169.db2.gz RTDPPQPTILGKGH-RYUDHWBXSA-N 1 3 200.370 2.114 20 0 BEADHO C(N[C@@H]1CCCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414853780 385690529 /nfs/dbraw/zinc/69/05/29/385690529.db2.gz YCKAIYSETACBFS-BFHYXJOUSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)[C@@H]1CCCN1 ZINC000414853780 385690531 /nfs/dbraw/zinc/69/05/31/385690531.db2.gz YCKAIYSETACBFS-BFHYXJOUSA-N 1 3 222.376 2.297 20 0 BEADHO CCCC[C@@H](COC)N[C@H](C[NH3+])CC(C)C ZINC000414856407 385712391 /nfs/dbraw/zinc/71/23/91/385712391.db2.gz YXUULHHYEOLDFX-STQMWFEESA-N 1 3 230.396 2.155 20 0 BEADHO CC[NH2+]CCNCC(CC)(CC)CC ZINC000391343567 385715224 /nfs/dbraw/zinc/71/52/24/385715224.db2.gz SKRLQSJSXDPBBA-UHFFFAOYSA-N 1 3 200.370 2.402 20 0 BEADHO C[NH2+]CCCN[C@@H](C)CCc1ccsc1 ZINC000414857302 385727604 /nfs/dbraw/zinc/72/76/04/385727604.db2.gz CNZNZNYHHMPWEF-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000414857302 385727611 /nfs/dbraw/zinc/72/76/11/385727611.db2.gz CNZNZNYHHMPWEF-NSHDSACASA-N 1 3 226.389 2.268 20 0 BEADHO Cc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414857827 385732299 /nfs/dbraw/zinc/73/22/99/385732299.db2.gz QHCKKUWBHDJRTF-UKRRQHHQSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000488291036 385734046 /nfs/dbraw/zinc/73/40/46/385734046.db2.gz GVRPXNXETTZCDX-HZSPNIEDSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000488291036 385734049 /nfs/dbraw/zinc/73/40/49/385734049.db2.gz GVRPXNXETTZCDX-HZSPNIEDSA-N 1 3 222.376 2.060 20 0 BEADHO C[C@@H]1C[C@@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000488291036 385734054 /nfs/dbraw/zinc/73/40/54/385734054.db2.gz GVRPXNXETTZCDX-HZSPNIEDSA-N 1 3 222.376 2.060 20 0 BEADHO CNCCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414858612 385736564 /nfs/dbraw/zinc/73/65/64/385736564.db2.gz KGOCQTNNOCADSX-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO C[NH2+]CCCN[C@@H](C)CCc1ccc(F)cc1 ZINC000414858612 385736567 /nfs/dbraw/zinc/73/65/67/385736567.db2.gz KGOCQTNNOCADSX-LBPRGKRZSA-N 1 3 238.350 2.346 20 0 BEADHO CNCCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000414861635 385752739 /nfs/dbraw/zinc/75/27/39/385752739.db2.gz SLZFSNRIMZIWDA-CQSZACIVSA-N 1 3 234.387 2.454 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)COC(C)C ZINC000309632406 385760938 /nfs/dbraw/zinc/76/09/38/385760938.db2.gz IFLUXJPRMCXVEQ-ZDUSSCGKSA-N 1 3 230.396 2.121 20 0 BEADHO C[NH2+]CCCN[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414864690 385764743 /nfs/dbraw/zinc/76/47/43/385764743.db2.gz ZTXLLUGLWLVKKR-AEGPPILISA-N 1 3 232.371 2.378 20 0 BEADHO CNCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000414864690 385764747 /nfs/dbraw/zinc/76/47/47/385764747.db2.gz ZTXLLUGLWLVKKR-AEGPPILISA-N 1 3 232.371 2.378 20 0 BEADHO CC(C)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)C[C@H]1C ZINC000414865521 385768733 /nfs/dbraw/zinc/76/87/33/385768733.db2.gz DALAORDJZASFSE-RQJABVFESA-N 1 3 224.392 2.399 20 0 BEADHO Cc1c[nH+]ccc1NCC1=CCN(C)CC1 ZINC000309653276 385772324 /nfs/dbraw/zinc/77/23/24/385772324.db2.gz OXAYLFALOWFIQU-UHFFFAOYSA-N 1 3 217.316 2.064 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000414944870 385784429 /nfs/dbraw/zinc/78/44/29/385784429.db2.gz QORUWWDPXWGEBD-RQJABVFESA-N 1 3 224.392 2.399 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCCCCF)c2ccccc21 ZINC000336654132 385721905 /nfs/dbraw/zinc/72/19/05/385721905.db2.gz JZQRZLUTXVCBHU-CHWSQXEVSA-N 1 3 222.307 2.471 20 0 BEADHO CC1(C)CCC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000414867926 385810102 /nfs/dbraw/zinc/81/01/02/385810102.db2.gz GVNXBNQYBSBIRC-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC000412980645 385817192 /nfs/dbraw/zinc/81/71/92/385817192.db2.gz YGWANZQDIVXTOH-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC000412980645 385817193 /nfs/dbraw/zinc/81/71/93/385817193.db2.gz YGWANZQDIVXTOH-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC000412980644 385818370 /nfs/dbraw/zinc/81/83/70/385818370.db2.gz YGWANZQDIVXTOH-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC000412980644 385818374 /nfs/dbraw/zinc/81/83/74/385818374.db2.gz YGWANZQDIVXTOH-KGLIPLIRSA-N 1 3 242.407 2.075 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@]1(C)CCCO1 ZINC000340178856 385824009 /nfs/dbraw/zinc/82/40/09/385824009.db2.gz AVAMBBISYJFEBE-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](NCCC[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340178856 385824011 /nfs/dbraw/zinc/82/40/11/385824011.db2.gz AVAMBBISYJFEBE-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@]1(C)CCCO1 ZINC000340178857 385824558 /nfs/dbraw/zinc/82/45/58/385824558.db2.gz AVAMBBISYJFEBE-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H](NCCC[NH+]1CCCC1)[C@@]1(C)CCCO1 ZINC000340178857 385824561 /nfs/dbraw/zinc/82/45/61/385824561.db2.gz AVAMBBISYJFEBE-ZIAGYGMSSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)CCN1 ZINC000414954545 385829723 /nfs/dbraw/zinc/82/97/23/385829723.db2.gz SQSCZDJTWXXKFS-UMSGYPCISA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc(OCC2CC2)cc1 ZINC000414869109 385832043 /nfs/dbraw/zinc/83/20/43/385832043.db2.gz ABHFOVHHKMHKPI-GFCCVEGCSA-N 1 3 248.370 2.160 20 0 BEADHO C[C@@H](CN)C[NH2+]CCCCOc1ccccc1 ZINC000414871641 385858106 /nfs/dbraw/zinc/85/81/06/385858106.db2.gz DRVZLYQJOVNNCP-ZDUSSCGKSA-N 1 3 236.359 2.030 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000414874962 385892345 /nfs/dbraw/zinc/89/23/45/385892345.db2.gz TZSBUKVGZJMXCY-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO COc1ccccc1C[C@H](C)NCC1([NH3+])CCC1 ZINC000414877441 385921095 /nfs/dbraw/zinc/92/10/95/385921095.db2.gz MXVZANFNUHVDHK-LBPRGKRZSA-N 1 3 248.370 2.097 20 0 BEADHO C([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCN1 ZINC000335034840 385923394 /nfs/dbraw/zinc/92/33/94/385923394.db2.gz ZEXHFUVDUHCDFQ-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO CCC[NH2+]CCNC[C@H](C)CC(C)C ZINC000414877318 385925452 /nfs/dbraw/zinc/92/54/52/385925452.db2.gz XOBBIGIOZSPIPC-GFCCVEGCSA-N 1 3 200.370 2.258 20 0 BEADHO C[NH+]1CCC(NC2(c3ccccc3)CC2)CC1 ZINC000272012380 385867633 /nfs/dbraw/zinc/86/76/33/385867633.db2.gz QKVXVCZNEAUVKM-UHFFFAOYSA-N 1 3 230.355 2.360 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C[C@@](C)(CC)OC)C1 ZINC000638136051 385878820 /nfs/dbraw/zinc/87/88/20/385878820.db2.gz WRBKHOVNMJTZTO-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000638136051 385878823 /nfs/dbraw/zinc/87/88/23/385878823.db2.gz WRBKHOVNMJTZTO-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(C[C@@](C)(CC)OC)C1 ZINC000638136051 385878829 /nfs/dbraw/zinc/87/88/29/385878829.db2.gz WRBKHOVNMJTZTO-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@](C)(CC)OC)C1 ZINC000638136051 385878831 /nfs/dbraw/zinc/87/88/31/385878831.db2.gz WRBKHOVNMJTZTO-ZIAGYGMSSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](C[C@](C)(CC)OC)C1 ZINC000638136046 385879589 /nfs/dbraw/zinc/87/95/89/385879589.db2.gz WRBKHOVNMJTZTO-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000638136046 385879593 /nfs/dbraw/zinc/87/95/93/385879593.db2.gz WRBKHOVNMJTZTO-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(C[C@](C)(CC)OC)C1 ZINC000638136046 385879599 /nfs/dbraw/zinc/87/95/99/385879599.db2.gz WRBKHOVNMJTZTO-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@](C)(CC)OC)C1 ZINC000638136046 385879601 /nfs/dbraw/zinc/87/96/01/385879601.db2.gz WRBKHOVNMJTZTO-KBPBESRZSA-N 1 3 242.407 2.075 20 0 BEADHO C([NH2+][C@@H]1CCCC12CCC2)[C@@H]1CCCNC1 ZINC000335018792 385978510 /nfs/dbraw/zinc/97/85/10/385978510.db2.gz LAAFMFHCNPDONI-CHWSQXEVSA-N 1 3 222.376 2.298 20 0 BEADHO C([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCNC1 ZINC000335019747 385978829 /nfs/dbraw/zinc/97/88/29/385978829.db2.gz SEHMLVCTVUBPPX-LBPRGKRZSA-N 1 3 222.376 2.298 20 0 BEADHO CCSCC[C@@H](C)[N@H+](C)CC(C)(C)N ZINC000336748257 385983095 /nfs/dbraw/zinc/98/30/95/385983095.db2.gz DBSNJROSYCTFSE-SNVBAGLBSA-N 1 3 218.410 2.187 20 0 BEADHO CCSCC[C@@H](C)[N@@H+](C)CC(C)(C)N ZINC000336748257 385983099 /nfs/dbraw/zinc/98/30/99/385983099.db2.gz DBSNJROSYCTFSE-SNVBAGLBSA-N 1 3 218.410 2.187 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCCCC1 ZINC000335023352 385984474 /nfs/dbraw/zinc/98/44/74/385984474.db2.gz GTFDJBWASBJQJE-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000414877737 385931147 /nfs/dbraw/zinc/93/11/47/385931147.db2.gz NEHZRLSKBPIVTB-MNOVXSKESA-N 1 3 224.323 2.114 20 0 BEADHO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCNCC1)CC2 ZINC000335043652 385935686 /nfs/dbraw/zinc/93/56/86/385935686.db2.gz QSNPXPLYYNTILT-HNNXBMFYSA-N 1 3 230.355 2.324 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H]1CC1(C)C ZINC000397775112 385938975 /nfs/dbraw/zinc/93/89/75/385938975.db2.gz IBNOOGJUFAAIOI-KKOKHZNYSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H]1CC1(C)C ZINC000397775113 385939353 /nfs/dbraw/zinc/93/93/53/385939353.db2.gz IBNOOGJUFAAIOI-KXNHARMFSA-N 1 3 210.365 2.009 20 0 BEADHO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCNCC1 ZINC000335046029 385940632 /nfs/dbraw/zinc/94/06/32/385940632.db2.gz YTYRZUPOYDJPKS-HNNXBMFYSA-N 1 3 230.355 2.324 20 0 BEADHO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)CN ZINC000414879116 385945821 /nfs/dbraw/zinc/94/58/21/385945821.db2.gz PCGDSXCIRFPUNY-TUAOUCFPSA-N 1 3 200.370 2.386 20 0 BEADHO NC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CCC1 ZINC000335052519 385951040 /nfs/dbraw/zinc/95/10/40/385951040.db2.gz LTRZIHXQTWTEJU-ZDUSSCGKSA-N 1 3 234.318 2.284 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000338299320 385959987 /nfs/dbraw/zinc/95/99/87/385959987.db2.gz ZGSLUHUTRDRJIO-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)C1CCC([NH2+]C[C@H](C)CN)CC1 ZINC000414879960 385961201 /nfs/dbraw/zinc/96/12/01/385961201.db2.gz QAYRXQGCLHVHQT-PNESKVBLSA-N 1 3 212.381 2.386 20 0 BEADHO CC[C@@H](C[NH2+]C[C@H](C)CN)c1ccccc1 ZINC000414879989 385963170 /nfs/dbraw/zinc/96/31/70/385963170.db2.gz QFOWJKLSJZRESR-OLZOCXBDSA-N 1 3 220.360 2.365 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013703 385969312 /nfs/dbraw/zinc/96/93/12/385969312.db2.gz OCMALXNFXVIBKP-HIFRSBDPSA-N 1 3 245.370 2.014 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCCN2 ZINC000335013705 385971216 /nfs/dbraw/zinc/97/12/16/385971216.db2.gz OCMALXNFXVIBKP-ZFWWWQNUSA-N 1 3 245.370 2.014 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1C1CC1)CN(C)C ZINC000336749622 385997330 /nfs/dbraw/zinc/99/73/30/385997330.db2.gz UIGXOOCJHJODND-XBFCOCLRSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000414980562 386056414 /nfs/dbraw/zinc/05/64/14/386056414.db2.gz PRFDNQOJQZDROC-CYBMUJFWSA-N 1 3 206.333 2.130 20 0 BEADHO C1CCC2(C1)CCC[C@@H]2[NH2+][C@@H]1CCNC1 ZINC000335062129 386029467 /nfs/dbraw/zinc/02/94/67/386029467.db2.gz XISGHRJVTVXBQU-NEPJUHHUSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@@H](CCc1ccccc1)NC[C@H]([NH3+])C1CC1 ZINC000414883828 386035769 /nfs/dbraw/zinc/03/57/69/386035769.db2.gz DQDWMGNMBRUZMM-WFASDCNBSA-N 1 3 232.371 2.335 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000336749557 385996057 /nfs/dbraw/zinc/99/60/57/385996057.db2.gz UDHZSZJALGGDAS-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000414985230 386102999 /nfs/dbraw/zinc/10/29/99/386102999.db2.gz WBTWUESAQVSTBS-LLVKDONJSA-N 1 3 247.317 2.201 20 0 BEADHO C[C@@H](CCN)[NH2+]CCCCOc1ccccc1 ZINC000414888734 386104981 /nfs/dbraw/zinc/10/49/81/386104981.db2.gz FLXSJHHIIVPDBR-ZDUSSCGKSA-N 1 3 236.359 2.173 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000414987123 386109416 /nfs/dbraw/zinc/10/94/16/386109416.db2.gz KFIUMLBLGQXPPB-AWEZNQCLSA-N 1 3 248.370 2.302 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1c(C)cccc1C ZINC000414986750 386114301 /nfs/dbraw/zinc/11/43/01/386114301.db2.gz YEOMSAXAMXAGGE-GFCCVEGCSA-N 1 3 206.333 2.130 20 0 BEADHO c1ccc2c(c1)CC[C@H]2[NH2+]C1CCNCC1 ZINC000038040686 386116828 /nfs/dbraw/zinc/11/68/28/386116828.db2.gz JGOIQLVNQBIZQU-CQSZACIVSA-N 1 3 216.328 2.016 20 0 BEADHO CCOc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000414886330 386068899 /nfs/dbraw/zinc/06/88/99/386068899.db2.gz PNDWDFYOWCBWPG-UHFFFAOYSA-N 1 3 234.343 2.056 20 0 BEADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCNC2)cc1 ZINC000414886746 386077067 /nfs/dbraw/zinc/07/70/67/386077067.db2.gz QKVRXHYFZWJNQZ-HRCADAONSA-N 1 3 244.382 2.349 20 0 BEADHO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000414886756 386078417 /nfs/dbraw/zinc/07/84/17/386078417.db2.gz QLCFCVGOBWXTGT-FRRDWIJNSA-N 1 3 210.365 2.154 20 0 BEADHO FC1(F)CC[C@@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000310087561 386082423 /nfs/dbraw/zinc/08/24/23/386082423.db2.gz BLOPNIZDEWTGOT-NEPJUHHUSA-N 1 3 244.329 2.107 20 0 BEADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccsc1 ZINC000414984336 386091694 /nfs/dbraw/zinc/09/16/94/386091694.db2.gz GDMCCDZGPRUZDM-JQWIXIFHSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000414887750 386095227 /nfs/dbraw/zinc/09/52/27/386095227.db2.gz ZKEHWASEYRQDAF-JHJVBQTASA-N 1 3 220.360 2.363 20 0 BEADHO C[C@@H](CNC[C@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000414888488 386098640 /nfs/dbraw/zinc/09/86/40/386098640.db2.gz JWVJCZSSWLFINI-HZMBPMFUSA-N 1 3 236.334 2.256 20 0 BEADHO C([C@H]1CC[NH2+]C1)N(C1CC1)C1CCCCC1 ZINC000647877161 386146218 /nfs/dbraw/zinc/14/62/18/386146218.db2.gz JYQDGXAQWQTIFW-LBPRGKRZSA-N 1 3 222.376 2.393 20 0 BEADHO C[C@H](CCc1ccsc1)NC[C@H]([NH3+])C1CC1 ZINC000414891867 386147029 /nfs/dbraw/zinc/14/70/29/386147029.db2.gz OTDSKJMVJCQRJE-MFKMUULPSA-N 1 3 238.400 2.396 20 0 BEADHO COc1ccc([C@H]2CCCN2CCC[NH3+])cc1 ZINC000414676026 386148875 /nfs/dbraw/zinc/14/88/75/386148875.db2.gz UQKJKCWNJZNAKW-CQSZACIVSA-N 1 3 234.343 2.181 20 0 BEADHO CC[C@H]([NH3+])CNC[C@H](C)c1ccccc1 ZINC000414991466 386153207 /nfs/dbraw/zinc/15/32/07/386153207.db2.gz QEZBNIRZFQQXGO-AAEUAGOBSA-N 1 3 206.333 2.117 20 0 BEADHO CC[C@H](F)C[N@H+](C)C1CCN(CC)CC1 ZINC000440781564 386154652 /nfs/dbraw/zinc/15/46/52/386154652.db2.gz SVHXQQDNBKGHIU-NSHDSACASA-N 1 3 216.344 2.151 20 0 BEADHO CC[C@H](F)C[N@@H+](C)C1CCN(CC)CC1 ZINC000440781564 386154656 /nfs/dbraw/zinc/15/46/56/386154656.db2.gz SVHXQQDNBKGHIU-NSHDSACASA-N 1 3 216.344 2.151 20 0 BEADHO CN(CCC[NH3+])[C@H]1CCCc2ccccc21 ZINC000106164357 386156823 /nfs/dbraw/zinc/15/68/23/386156823.db2.gz CHZJADGLZLIALG-AWEZNQCLSA-N 1 3 218.344 2.345 20 0 BEADHO [NH3+]CCCN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000414685952 386174365 /nfs/dbraw/zinc/17/43/65/386174365.db2.gz FJBBFDKQJKUQMZ-OAHLLOKOSA-N 1 3 230.355 2.487 20 0 BEADHO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCCN ZINC000414691618 386188445 /nfs/dbraw/zinc/18/84/45/386188445.db2.gz JXPDYPDNUAMDJT-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCCN ZINC000414691618 386188450 /nfs/dbraw/zinc/18/84/50/386188450.db2.gz JXPDYPDNUAMDJT-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccccc1C[C@@H]1CCCN1CCC[NH3+] ZINC000414691618 386188456 /nfs/dbraw/zinc/18/84/56/386188456.db2.gz JXPDYPDNUAMDJT-HNNXBMFYSA-N 1 3 232.371 2.351 20 0 BEADHO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000093079485 386124794 /nfs/dbraw/zinc/12/47/94/386124794.db2.gz PNCAQOZWCDDGES-XQQFMLRXSA-N 1 3 212.381 2.495 20 0 BEADHO N[C@H](C[NH2+]C/C=C/c1ccccc1)C1CC1 ZINC000414891001 386134253 /nfs/dbraw/zinc/13/42/53/386134253.db2.gz HUYGYXZONSHKOI-BTKRWWFXSA-N 1 3 216.328 2.027 20 0 BEADHO c1ccc(C[C@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647874686 386142964 /nfs/dbraw/zinc/14/29/64/386142964.db2.gz MQURZDAIBZDRQO-JKSUJKDBSA-N 1 3 244.382 2.303 20 0 BEADHO NCCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000414697075 386203024 /nfs/dbraw/zinc/20/30/24/386203024.db2.gz PVFDHJSLRZLXAZ-UHFFFAOYSA-N 1 3 210.365 2.382 20 0 BEADHO NCCC[N@H+]1CCCC2(CCCCC2)C1 ZINC000414697075 386203027 /nfs/dbraw/zinc/20/30/27/386203027.db2.gz PVFDHJSLRZLXAZ-UHFFFAOYSA-N 1 3 210.365 2.382 20 0 BEADHO CC(C)(C)c1cnc(CNCCCC[NH3+])s1 ZINC000414897177 386215562 /nfs/dbraw/zinc/21/55/62/386215562.db2.gz BDNXDDXFALFGAP-UHFFFAOYSA-N 1 3 241.404 2.269 20 0 BEADHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)c1ccccc1 ZINC000132020624 386218439 /nfs/dbraw/zinc/21/84/39/386218439.db2.gz ZBZUNAZLFPKGCF-KBPBESRZSA-N 1 3 232.371 2.379 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@H](C)[C@@H](C)N)cc1C ZINC000415001905 386234897 /nfs/dbraw/zinc/23/48/97/386234897.db2.gz CQLKYXOUBMXFQV-CHWSQXEVSA-N 1 3 220.360 2.437 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@@H](C)[C@H](C)N)cc1C ZINC000415001908 386236229 /nfs/dbraw/zinc/23/62/29/386236229.db2.gz CQLKYXOUBMXFQV-STQMWFEESA-N 1 3 220.360 2.437 20 0 BEADHO Fc1ccc2c(c1)CCN(CC1CC[NH2+]CC1)C2 ZINC000297312733 386241473 /nfs/dbraw/zinc/24/14/73/386241473.db2.gz IBCYCIJBYLBOCL-UHFFFAOYSA-N 1 3 248.345 2.183 20 0 BEADHO C[C@H]1CN(CCC[NH3+])CC[C@H]1c1ccccc1 ZINC000414718842 386248732 /nfs/dbraw/zinc/24/87/32/386248732.db2.gz ZTOKFJGVMVMGRD-DZGCQCFKSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H]1C[N@H+](CCCN)CC[C@H]1c1ccccc1 ZINC000414718842 386248736 /nfs/dbraw/zinc/24/87/36/386248736.db2.gz ZTOKFJGVMVMGRD-DZGCQCFKSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H]1C[N@@H+](CCCN)CC[C@H]1c1ccccc1 ZINC000414718842 386248740 /nfs/dbraw/zinc/24/87/40/386248740.db2.gz ZTOKFJGVMVMGRD-DZGCQCFKSA-N 1 3 232.371 2.461 20 0 BEADHO CCN(CCC[NH3+])[C@H](C)c1cccc(OC)c1 ZINC000414694712 386194567 /nfs/dbraw/zinc/19/45/67/386194567.db2.gz DQDBSWPLUODUHN-GFCCVEGCSA-N 1 3 236.359 2.427 20 0 BEADHO CCC[N@H+](CCCN)[C@@H]1C[C@H](OCC)C1(C)C ZINC000414693091 386194599 /nfs/dbraw/zinc/19/45/99/386194599.db2.gz DLNHAMLHEMFOJN-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H]1C[C@H](OCC)C1(C)C ZINC000414693091 386194603 /nfs/dbraw/zinc/19/46/03/386194603.db2.gz DLNHAMLHEMFOJN-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO CCCN(CCC[NH3+])[C@@H]1C[C@H](OCC)C1(C)C ZINC000414693091 386194607 /nfs/dbraw/zinc/19/46/07/386194607.db2.gz DLNHAMLHEMFOJN-OLZOCXBDSA-N 1 3 242.407 2.251 20 0 BEADHO N[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1)C1CC1 ZINC000414896092 386196281 /nfs/dbraw/zinc/19/62/81/386196281.db2.gz OEAOYHWWBUOWIV-YUKKFKLSSA-N 1 3 234.318 2.166 20 0 BEADHO CC(C)c1cnc(CNCCCC[NH3+])s1 ZINC000414903819 386345304 /nfs/dbraw/zinc/34/53/04/386345304.db2.gz LTQAZEVKRVMXFS-UHFFFAOYSA-N 1 3 227.377 2.095 20 0 BEADHO Cc1ccc([C@@]2(C)CC[N@H+](CCCN)C2)cc1 ZINC000414747095 386351830 /nfs/dbraw/zinc/35/18/30/386351830.db2.gz RRDCHXDIDVCQCW-HNNXBMFYSA-N 1 3 232.371 2.307 20 0 BEADHO Cc1ccc([C@@]2(C)CC[N@@H+](CCCN)C2)cc1 ZINC000414747095 386351834 /nfs/dbraw/zinc/35/18/34/386351834.db2.gz RRDCHXDIDVCQCW-HNNXBMFYSA-N 1 3 232.371 2.307 20 0 BEADHO C([C@@H]1CC[NH2+]C1)N1CCC(C2CCCC2)CC1 ZINC000647889959 386362546 /nfs/dbraw/zinc/36/25/46/386362546.db2.gz ALZDNXIMCHIHQO-CYBMUJFWSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(c2ccccc2)CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890172 386367684 /nfs/dbraw/zinc/36/76/84/386367684.db2.gz WSOIPYCXMNFCPP-HOCLYGCPSA-N 1 3 244.382 2.260 20 0 BEADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CC1 ZINC000336743225 386370798 /nfs/dbraw/zinc/37/07/98/386370798.db2.gz OUWVEXLUPNHSJM-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCN ZINC000414740227 386329686 /nfs/dbraw/zinc/32/96/86/386329686.db2.gz JRCHLIUSXOGVSI-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCCN ZINC000414740227 386329692 /nfs/dbraw/zinc/32/96/92/386329692.db2.gz JRCHLIUSXOGVSI-HIFRSBDPSA-N 1 3 232.371 2.288 20 0 BEADHO COCC1(C)CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414753410 386388599 /nfs/dbraw/zinc/38/85/99/386388599.db2.gz MIXYVZOQKXTCTI-CYBMUJFWSA-N 1 3 242.407 2.108 20 0 BEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336706976 386409887 /nfs/dbraw/zinc/40/98/87/386409887.db2.gz LDBWWMUMSVXPBI-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC2CC2)C1 ZINC000336706976 386409891 /nfs/dbraw/zinc/40/98/91/386409891.db2.gz LDBWWMUMSVXPBI-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC000336706976 386409893 /nfs/dbraw/zinc/40/98/93/386409893.db2.gz LDBWWMUMSVXPBI-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336706976 386409896 /nfs/dbraw/zinc/40/98/96/386409896.db2.gz LDBWWMUMSVXPBI-HNNXBMFYSA-N 1 3 236.403 2.450 20 0 BEADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414909742 386416150 /nfs/dbraw/zinc/41/61/50/386416150.db2.gz CJRMHTJPEXAJOL-BNOWGMLFSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1ccccc1 ZINC000093462327 386416358 /nfs/dbraw/zinc/41/63/58/386416358.db2.gz QURXJOUDYSAHGI-DZGCQCFKSA-N 1 3 232.371 2.349 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](CCc2cccnc2)CC1 ZINC000277262348 386421567 /nfs/dbraw/zinc/42/15/67/386421567.db2.gz RAPJYKZASVZDRS-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000277262348 386421571 /nfs/dbraw/zinc/42/15/71/386421571.db2.gz RAPJYKZASVZDRS-HNNXBMFYSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)ccn1 ZINC000391194717 386474392 /nfs/dbraw/zinc/47/43/92/386474392.db2.gz RCEOAKWVZKCGNZ-CORIIIEPSA-N 1 3 247.386 2.208 20 0 BEADHO Cc1ccc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000227328478 386477054 /nfs/dbraw/zinc/47/70/54/386477054.db2.gz AZMCEDNKHBLSHL-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO C[C@@H](CCCC[NH3+])[NH2+]Cc1cc([O-])cc(F)c1 ZINC000415011268 386483229 /nfs/dbraw/zinc/48/32/29/386483229.db2.gz HGAYNBYKMAJJFM-JTQLQIEISA-N 1 3 240.322 2.138 20 0 BEADHO CC(C)Oc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000415013471 386496664 /nfs/dbraw/zinc/49/66/64/386496664.db2.gz VCXFROPIGGKYQN-RYUDHWBXSA-N 1 3 236.359 2.299 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CCc1ccccc1F ZINC000415017655 386503089 /nfs/dbraw/zinc/50/30/89/386503089.db2.gz QITOZHFUXDMJPH-UTUOFQBUSA-N 1 3 238.350 2.472 20 0 BEADHO C[C@H](CCC[NH3+])NCc1csc(C2CC2)n1 ZINC000415017091 386503263 /nfs/dbraw/zinc/50/32/63/386503263.db2.gz DOJCESRHIYBUSW-SECBINFHSA-N 1 3 239.388 2.238 20 0 BEADHO CC(C)c1cnc(CN[C@@H](C)CCC[NH3+])s1 ZINC000415019767 386508182 /nfs/dbraw/zinc/50/81/82/386508182.db2.gz ITVHDODGPORRKF-JTQLQIEISA-N 1 3 241.404 2.484 20 0 BEADHO [NH3+]C[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC000415037386 386524219 /nfs/dbraw/zinc/52/42/19/386524219.db2.gz MGPYEKUCTOZQAY-VHSXEESVSA-N 1 3 240.297 2.182 20 0 BEADHO CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000094916675 386462877 /nfs/dbraw/zinc/46/28/77/386462877.db2.gz XOPUFNPFJZCSHV-AWEZNQCLSA-N 1 3 247.386 2.293 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414800785 386586366 /nfs/dbraw/zinc/58/63/66/386586366.db2.gz LJOFKNZRPMESHP-MCIONIFRSA-N 1 3 242.407 2.299 20 0 BEADHO Cc1ccccc1C[C@H](C)NC[C@@H]([NH3+])C(C)C ZINC000414800596 386587881 /nfs/dbraw/zinc/58/78/81/386587881.db2.gz SEXYALYYPMQVNC-DZGCQCFKSA-N 1 3 234.387 2.499 20 0 BEADHO C[C@@H](Cc1ccccc1F)N[C@@H](C[NH3+])C1CC1 ZINC000414799804 386592067 /nfs/dbraw/zinc/59/20/67/386592067.db2.gz DXOBBHAZXAUPOM-HZMBPMFUSA-N 1 3 236.334 2.084 20 0 BEADHO C[C@H](CNCC(C)(C)[NH3+])c1ccc(F)cc1 ZINC000414799729 386592755 /nfs/dbraw/zinc/59/27/55/386592755.db2.gz GWIABNMSOCVTJT-SNVBAGLBSA-N 1 3 224.323 2.256 20 0 BEADHO C[C@@H](Cc1ccccc1F)N[C@H](C[NH3+])C1CC1 ZINC000414799807 386593021 /nfs/dbraw/zinc/59/30/21/386593021.db2.gz DXOBBHAZXAUPOM-IINYFYTJSA-N 1 3 236.334 2.084 20 0 BEADHO [NH3+]C[C@@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000415045502 386531272 /nfs/dbraw/zinc/53/12/72/386531272.db2.gz UDKVTEREIJTVBJ-HTQZYQBOSA-N 1 3 245.779 2.014 20 0 BEADHO C[C@@H](CCC1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046557 386532370 /nfs/dbraw/zinc/53/23/70/386532370.db2.gz XMLJUQPJDMULCJ-SCUASFONSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)CC[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415060874 386542183 /nfs/dbraw/zinc/54/21/83/386542183.db2.gz KHIBRRHXGCQOQF-QMIVOQANSA-N 1 3 236.403 2.399 20 0 BEADHO C([NH2+][C@@H]1CCCCC12CCCC2)C1CNC1 ZINC000335461704 386543472 /nfs/dbraw/zinc/54/34/72/386543472.db2.gz LNRADJSNVKCLRR-CYBMUJFWSA-N 1 3 222.376 2.298 20 0 BEADHO C(CNC1CC1)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000415064260 386544124 /nfs/dbraw/zinc/54/41/24/386544124.db2.gz CDUMNPHXWGDTAG-KBPBESRZSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCC1 ZINC000414918542 386545884 /nfs/dbraw/zinc/54/58/84/386545884.db2.gz UTTMZOABGIYFFC-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@H]1CCC[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415065736 386547859 /nfs/dbraw/zinc/54/78/59/386547859.db2.gz SDVKEIAZTVTFIK-MEBFFEOJSA-N 1 3 222.376 2.010 20 0 BEADHO C(N[C@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000415073162 386560273 /nfs/dbraw/zinc/56/02/73/386560273.db2.gz XZZGHUCBZMUOHV-ZDUSSCGKSA-N 1 3 210.365 2.298 20 0 BEADHO CCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062078121 386561558 /nfs/dbraw/zinc/56/15/58/386561558.db2.gz RGROBZWMNSNWSK-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO Cc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000228663089 386597921 /nfs/dbraw/zinc/59/79/21/386597921.db2.gz OGFNMMTTXFMGHN-GOOCMWNKSA-N 1 3 245.370 2.105 20 0 BEADHO CC(C)[C@@H]([NH3+])CNC[C@@H](C)c1ccccc1 ZINC000414795588 386573207 /nfs/dbraw/zinc/57/32/07/386573207.db2.gz NBYFCCOKPJYPQN-OCCSQVGLSA-N 1 3 220.360 2.363 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCNC1)C1CCC(F)(F)CC1 ZINC000335498954 386625970 /nfs/dbraw/zinc/62/59/70/386625970.db2.gz ZQVFLSCSDVMWDP-KOLCDFICSA-N 1 3 232.318 2.152 20 0 BEADHO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000415123490 386627674 /nfs/dbraw/zinc/62/76/74/386627674.db2.gz NAAQURRZVSJOMF-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(N[C@H]2CCC[NH2+]C2)c(CN(C)C)c1 ZINC000415126707 386628787 /nfs/dbraw/zinc/62/87/87/386628787.db2.gz UYCFNTBAKBEOOE-AWEZNQCLSA-N 1 3 247.386 2.221 20 0 BEADHO C[C@H](C[N@H+](C)CCN)c1cccc(Cl)c1 ZINC000415115676 386629863 /nfs/dbraw/zinc/62/98/63/386629863.db2.gz XAASQNJSVYACRE-SNVBAGLBSA-N 1 3 226.751 2.334 20 0 BEADHO C[C@H](C[N@@H+](C)CCN)c1cccc(Cl)c1 ZINC000415115676 386629869 /nfs/dbraw/zinc/62/98/69/386629869.db2.gz XAASQNJSVYACRE-SNVBAGLBSA-N 1 3 226.751 2.334 20 0 BEADHO CCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414925338 386641200 /nfs/dbraw/zinc/64/12/00/386641200.db2.gz LOUVAYPEQJWNGH-ZIAGYGMSSA-N 1 3 248.370 2.445 20 0 BEADHO Cc1ccc(C[N@@H+](C)C2CCNCC2)cc1C ZINC000049669103 386645802 /nfs/dbraw/zinc/64/58/02/386645802.db2.gz JDMPKKBFNPBFIF-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C[N@H+](C)C2CCNCC2)cc1C ZINC000049669103 386645809 /nfs/dbraw/zinc/64/58/09/386645809.db2.gz JDMPKKBFNPBFIF-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C)c1CC[NH2+]C1CCNCC1 ZINC000415085980 386604078 /nfs/dbraw/zinc/60/40/78/386604078.db2.gz RDIAENCJQNRAPE-UHFFFAOYSA-N 1 3 232.371 2.188 20 0 BEADHO Cc1cccc(C)c1CCNC1CC[NH2+]CC1 ZINC000415085980 386604081 /nfs/dbraw/zinc/60/40/81/386604081.db2.gz RDIAENCJQNRAPE-UHFFFAOYSA-N 1 3 232.371 2.188 20 0 BEADHO CCCC[C@H](C[NH3+])N[C@@H](COC)CC(C)C ZINC000414805735 386607161 /nfs/dbraw/zinc/60/71/61/386607161.db2.gz AQJXJJGRVVGRJL-CHWSQXEVSA-N 1 3 230.396 2.155 20 0 BEADHO CC[C@H](N[C@H](C)C[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000415090106 386609992 /nfs/dbraw/zinc/60/99/92/386609992.db2.gz ZYCYCQWUYYYGEV-RFGFWPKPSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CCSCC1 ZINC000335493672 386614134 /nfs/dbraw/zinc/61/41/34/386614134.db2.gz CCVAPOQULHFZFQ-DGCLKSJQSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](CNCC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000415098548 386616665 /nfs/dbraw/zinc/61/66/65/386616665.db2.gz FOEWWTANPCMUDD-VIFPVBQESA-N 1 3 242.313 2.395 20 0 BEADHO CN1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000335521429 386662659 /nfs/dbraw/zinc/66/26/59/386662659.db2.gz UGCZIIXUOGYNPQ-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO CN1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000335521429 386662661 /nfs/dbraw/zinc/66/26/61/386662661.db2.gz UGCZIIXUOGYNPQ-AWEZNQCLSA-N 1 3 222.376 2.060 20 0 BEADHO CCSCC[NH2+]CC(C)(C)CN1CCCC1 ZINC000336759465 386664828 /nfs/dbraw/zinc/66/48/28/386664828.db2.gz JAMHJUXSCZZDIL-UHFFFAOYSA-N 1 3 244.448 2.451 20 0 BEADHO CCSCCNCC(C)(C)C[NH+]1CCCC1 ZINC000336759465 386664834 /nfs/dbraw/zinc/66/48/34/386664834.db2.gz JAMHJUXSCZZDIL-UHFFFAOYSA-N 1 3 244.448 2.451 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000414818854 386667946 /nfs/dbraw/zinc/66/79/46/386667946.db2.gz FYSMGUUPHMKGBN-UHTWSYAYSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000414818855 386668093 /nfs/dbraw/zinc/66/80/93/386668093.db2.gz FYSMGUUPHMKGBN-WCFLWFBJSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000414823866 386680549 /nfs/dbraw/zinc/68/05/49/386680549.db2.gz POEXPFVPDZYDKO-STQMWFEESA-N 1 3 220.360 2.335 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccccc1 ZINC000414823866 386680554 /nfs/dbraw/zinc/68/05/54/386680554.db2.gz POEXPFVPDZYDKO-STQMWFEESA-N 1 3 220.360 2.335 20 0 BEADHO C[C@@H](CCC1CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823977 386680777 /nfs/dbraw/zinc/68/07/77/386680777.db2.gz FGUZYJOLQZJDLR-RAQOOLMWSA-N 1 3 222.376 2.438 20 0 BEADHO CCCC[C@H](COC)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823776 386681173 /nfs/dbraw/zinc/68/11/73/386681173.db2.gz PJOHSRSCFPTQPO-MELADBBJSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414823776 386681182 /nfs/dbraw/zinc/68/11/82/386681182.db2.gz PJOHSRSCFPTQPO-MELADBBJSA-N 1 3 242.407 2.169 20 0 BEADHO CCC1CCC([NH2+]C[C@@H](C)CNC)CC1 ZINC000414833025 386709987 /nfs/dbraw/zinc/70/99/87/386709987.db2.gz FXGASDLPJVJWMB-HIFPTAJRSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)CC1CCCC1 ZINC000414833084 386711260 /nfs/dbraw/zinc/71/12/60/386711260.db2.gz GCGBQZBLHZZGIT-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000414823336 386684911 /nfs/dbraw/zinc/68/49/11/386684911.db2.gz OEBXHKWPAGSLDC-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccc(F)cc1 ZINC000414823336 386684916 /nfs/dbraw/zinc/68/49/16/386684916.db2.gz OEBXHKWPAGSLDC-RYUDHWBXSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414825136 386689274 /nfs/dbraw/zinc/68/92/74/386689274.db2.gz SANZXOQVZJTACX-CYZMBNFOSA-N 1 3 210.365 2.282 20 0 BEADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000414830247 386706139 /nfs/dbraw/zinc/70/61/39/386706139.db2.gz NRTAWVNNNDKWJP-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000414840551 386739178 /nfs/dbraw/zinc/73/91/78/386739178.db2.gz MLJPTCMGYKXLKN-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1C1CC1 ZINC000414831888 386718154 /nfs/dbraw/zinc/71/81/54/386718154.db2.gz PWSXVCKEZDCGHV-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO Fc1ccccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414834029 386719759 /nfs/dbraw/zinc/71/97/59/386719759.db2.gz SIWSBKDZGXIRJB-PBWFPOADSA-N 1 3 248.345 2.241 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000414834267 386724761 /nfs/dbraw/zinc/72/47/61/386724761.db2.gz HFQVSLXUGMIPFA-KGLIPLIRSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CCc1ccccc1 ZINC000414834267 386724768 /nfs/dbraw/zinc/72/47/68/386724768.db2.gz HFQVSLXUGMIPFA-KGLIPLIRSA-N 1 3 234.387 2.453 20 0 BEADHO CC(C)C[C@H](C)C[NH2+]C1(C)CCNCC1 ZINC000414930016 386746505 /nfs/dbraw/zinc/74/65/05/386746505.db2.gz AJVUBRICUWSKKP-LBPRGKRZSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(F)c(F)c1 ZINC000414842158 386747656 /nfs/dbraw/zinc/74/76/56/386747656.db2.gz NYAQLWVCQCWKEC-NSHDSACASA-N 1 3 242.313 2.428 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000414841292 386754895 /nfs/dbraw/zinc/75/48/95/386754895.db2.gz HOBFVCBRHQVGPR-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000414841292 386754898 /nfs/dbraw/zinc/75/48/98/386754898.db2.gz HOBFVCBRHQVGPR-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000414841255 386755584 /nfs/dbraw/zinc/75/55/84/386755584.db2.gz ZBUQDSDYOROJFI-PNKOWGENSA-N 1 3 208.349 2.048 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000414843097 386757531 /nfs/dbraw/zinc/75/75/31/386757531.db2.gz JJDDOWGXIXYKPD-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CCC[NH2+][C@@H]1CNC[C@@H]1CCSC1 ZINC000414931844 386766554 /nfs/dbraw/zinc/76/65/54/386766554.db2.gz RXPOPHPMTMCQFH-NWDGAFQWSA-N 1 3 242.432 2.107 20 0 BEADHO CO[C@H](C)CCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000336665771 386770351 /nfs/dbraw/zinc/77/03/51/386770351.db2.gz ZDDODYITPHTZJY-BFHYXJOUSA-N 1 3 242.407 2.312 20 0 BEADHO CO[C@H](C)CCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000336665801 386770412 /nfs/dbraw/zinc/77/04/12/386770412.db2.gz ZDDODYITPHTZJY-MJBXVCDLSA-N 1 3 242.407 2.312 20 0 BEADHO CC[N@H+](C[C@@H]1CCCNC1)C1CC(C)(C)C1 ZINC000395300359 386809472 /nfs/dbraw/zinc/80/94/72/386809472.db2.gz QNRUKUPNSIHYPF-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO CC[N@@H+](C[C@@H]1CCCNC1)C1CC(C)(C)C1 ZINC000395300359 386809476 /nfs/dbraw/zinc/80/94/76/386809476.db2.gz QNRUKUPNSIHYPF-GFCCVEGCSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CNC ZINC000414847153 386831532 /nfs/dbraw/zinc/83/15/32/386831532.db2.gz VIMOMEFUEMFBAE-ZFWWWQNUSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC[C@@H](C)C[NH2+]C ZINC000414847153 386831539 /nfs/dbraw/zinc/83/15/39/386831539.db2.gz VIMOMEFUEMFBAE-ZFWWWQNUSA-N 1 3 234.387 2.453 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)CCc1ccco1)CN(C)C ZINC000293364115 386835326 /nfs/dbraw/zinc/83/53/26/386835326.db2.gz HOELPCQAKDREFK-STQMWFEESA-N 1 3 238.375 2.388 20 0 BEADHO CC[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)OC ZINC000336674084 386841368 /nfs/dbraw/zinc/84/13/68/386841368.db2.gz BVPHRXYUJSGEOA-DDTOSNHZSA-N 1 3 234.343 2.146 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000414937893 386857363 /nfs/dbraw/zinc/85/73/63/386857363.db2.gz CTFAYSLCCXFWMZ-FDYHWXHSSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@H](C[NH3+])NCCCc1c(F)cccc1Cl ZINC000414938079 386858693 /nfs/dbraw/zinc/85/86/93/386858693.db2.gz YCQALTPXGBCFDJ-SECBINFHSA-N 1 3 244.741 2.349 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)CCN1 ZINC000414939933 386875353 /nfs/dbraw/zinc/87/53/53/386875353.db2.gz BKUGRDWJBHIVLM-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO CC1CC(NCC2([NH3+])CCCCCC2)C1 ZINC000334836340 386878908 /nfs/dbraw/zinc/87/89/08/386878908.db2.gz FYQZCZCNCWWOBX-UHFFFAOYSA-N 1 3 210.365 2.426 20 0 BEADHO Cc1ccccc1C[NH2+]C1(C)CCNCC1 ZINC000334840976 386886440 /nfs/dbraw/zinc/88/64/40/386886440.db2.gz FFWRZPVJDFHDCU-UHFFFAOYSA-N 1 3 218.344 2.227 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNC[C@H]1C)Cc1ccccc1 ZINC000414943917 386900791 /nfs/dbraw/zinc/90/07/91/386900791.db2.gz OOBAHWILXJOVSE-LZWOXQAQSA-N 1 3 246.398 2.453 20 0 BEADHO Cc1cccc(C[NH2+][C@H]2CCNC[C@@H]2C)c1C ZINC000334857195 386909268 /nfs/dbraw/zinc/90/92/68/386909268.db2.gz LSGQOHCCGOXRKC-WFASDCNBSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@@H]2C)cc1C ZINC000334857330 386909650 /nfs/dbraw/zinc/90/96/50/386909650.db2.gz NEPOYLPQYAEHLU-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCNC[C@H]1C ZINC000334857824 386911553 /nfs/dbraw/zinc/91/15/53/386911553.db2.gz OTFKQCBYWONIJO-UKRRQHHQSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccccc1C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000334866453 386923897 /nfs/dbraw/zinc/92/38/97/386923897.db2.gz WNJMFFPKSNPTAV-JSGCOSHPSA-N 1 3 218.344 2.225 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCF)C1 ZINC000341885625 386983718 /nfs/dbraw/zinc/98/37/18/386983718.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCF)C1 ZINC000341885625 386983720 /nfs/dbraw/zinc/98/37/20/386983720.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCF)C1 ZINC000341885625 386983723 /nfs/dbraw/zinc/98/37/23/386983723.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC000341885625 386983728 /nfs/dbraw/zinc/98/37/28/386983728.db2.gz FRAWBDLIOAAYIG-ZDUSSCGKSA-N 1 3 230.371 2.400 20 0 BEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000104411922 387004758 /nfs/dbraw/zinc/00/47/58/387004758.db2.gz AQAZVTBZQOGHRO-ZIAGYGMSSA-N 1 3 248.370 2.125 20 0 BEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C1(CC)CC ZINC000423298651 387130267 /nfs/dbraw/zinc/13/02/67/387130267.db2.gz AMXSXQYWMBMDQH-JHJVBQTASA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]([NH3+])C1CCN(Cc2ccccc2F)CC1 ZINC000111611455 387084623 /nfs/dbraw/zinc/08/46/23/387084623.db2.gz UHIYNIMWYVVVTB-LLVKDONJSA-N 1 3 236.334 2.385 20 0 BEADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000070975627 387085198 /nfs/dbraw/zinc/08/51/98/387085198.db2.gz UXDGEDUUESMTNK-LBPRGKRZSA-N 1 3 236.334 2.387 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000335004463 387098729 /nfs/dbraw/zinc/09/87/29/387098729.db2.gz DCMGDUZAEWCTFX-YWPUVAFDSA-N 1 3 210.365 2.009 20 0 BEADHO C1=C(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000335005784 387099111 /nfs/dbraw/zinc/09/91/11/387099111.db2.gz IQACLVPHNPEPCA-PBWFPOADSA-N 1 3 220.360 2.359 20 0 BEADHO CC(C)C1CC([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000335004460 387099892 /nfs/dbraw/zinc/09/98/92/387099892.db2.gz DCMGDUZAEWCTFX-IKWCTNDRSA-N 1 3 210.365 2.009 20 0 BEADHO CSC[C@H](C)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000127342270 387100106 /nfs/dbraw/zinc/10/01/06/387100106.db2.gz DJYDSQREWZXZJW-XDTLVQLUSA-N 1 3 236.384 2.472 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)ccn1 ZINC000335009722 387104739 /nfs/dbraw/zinc/10/47/39/387104739.db2.gz HKLRRMUZZMPIHI-ZIAGYGMSSA-N 1 3 233.359 2.140 20 0 BEADHO C[C@H](Cc1ccccc1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359460142 387105796 /nfs/dbraw/zinc/10/57/96/387105796.db2.gz VXUNRDFYNRUECY-BMFZPTHFSA-N 1 3 244.382 2.016 20 0 BEADHO Cc1cnccc1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000359478826 387108179 /nfs/dbraw/zinc/10/81/79/387108179.db2.gz GHVYGMONLJANBK-KBPBESRZSA-N 1 3 247.386 2.487 20 0 BEADHO [NH3+][C@@H](CNc1ccnc2ccccc21)C1CC1 ZINC000113502551 387117523 /nfs/dbraw/zinc/11/75/23/387117523.db2.gz WRUKEQWPRUMBTQ-LBPRGKRZSA-N 1 3 227.311 2.384 20 0 BEADHO c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCNCC1 ZINC000335026350 387119492 /nfs/dbraw/zinc/11/94/92/387119492.db2.gz ZGYUEFIOKSJOFP-AWEZNQCLSA-N 1 3 244.382 2.448 20 0 BEADHO c1ccc2c(c1)CCC[C@H]2CNC1CC[NH2+]CC1 ZINC000335026350 387119499 /nfs/dbraw/zinc/11/94/99/387119499.db2.gz ZGYUEFIOKSJOFP-AWEZNQCLSA-N 1 3 244.382 2.448 20 0 BEADHO CC(C)(C)[C@H]1CC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423300735 387132223 /nfs/dbraw/zinc/13/22/23/387132223.db2.gz FFIKPTSZOWRXDZ-SDDRHHMPSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000228821716 387122459 /nfs/dbraw/zinc/12/24/59/387122459.db2.gz USHVXMRBOYUMRR-HIFRSBDPSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000228821716 387122467 /nfs/dbraw/zinc/12/24/67/387122467.db2.gz USHVXMRBOYUMRR-HIFRSBDPSA-N 1 3 232.371 2.425 20 0 BEADHO Cc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc(C)n1 ZINC000335029638 387124102 /nfs/dbraw/zinc/12/41/02/387124102.db2.gz OCYOWHVWMSYHOB-HUUCEWRRSA-N 1 3 247.386 2.448 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C1CNC1 ZINC000335030501 387124119 /nfs/dbraw/zinc/12/41/19/387124119.db2.gz QCSYZEHNMGILLR-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO N[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250529994 387124355 /nfs/dbraw/zinc/12/43/55/387124355.db2.gz KLMUQWHZPDMFFJ-HIFRSBDPSA-N 1 3 230.355 2.487 20 0 BEADHO N[C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250529994 387124360 /nfs/dbraw/zinc/12/43/60/387124360.db2.gz KLMUQWHZPDMFFJ-HIFRSBDPSA-N 1 3 230.355 2.487 20 0 BEADHO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423298761 387129145 /nfs/dbraw/zinc/12/91/45/387129145.db2.gz AFYDAFMHLXTROT-JKSUJKDBSA-N 1 3 244.382 2.440 20 0 BEADHO Cc1ccc([C@@H]2CCC[C@H]2NCC2C[NH2+]C2)cc1 ZINC000423298761 387129149 /nfs/dbraw/zinc/12/91/49/387129149.db2.gz AFYDAFMHLXTROT-JKSUJKDBSA-N 1 3 244.382 2.440 20 0 BEADHO Cc1csc(CNC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000070503302 387068264 /nfs/dbraw/zinc/06/82/64/387068264.db2.gz BNLPELABTYDWGD-MNOVXSKESA-N 1 3 239.388 2.059 20 0 BEADHO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1CNC1 ZINC000423305814 387141737 /nfs/dbraw/zinc/14/17/37/387141737.db2.gz RSEMBBVLXUFDED-KBPBESRZSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1ccc(C[C@H]([NH2+]CC2CNC2)C(C)C)cc1 ZINC000423305514 387141808 /nfs/dbraw/zinc/14/18/08/387141808.db2.gz QXRWZRYFRWIOTB-INIZCTEOSA-N 1 3 246.398 2.371 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000423306523 387142339 /nfs/dbraw/zinc/14/23/39/387142339.db2.gz LPOXTYKBUAQDIM-NXEZZACHSA-N 1 3 234.334 2.385 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCCc2cc(F)ccc21 ZINC000423308125 387144473 /nfs/dbraw/zinc/14/44/73/387144473.db2.gz NXLPTCXTWSSUDX-YGRLFVJLSA-N 1 3 236.334 2.388 20 0 BEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](N)C1CC1 ZINC000423313552 387151038 /nfs/dbraw/zinc/15/10/38/387151038.db2.gz FUROPOUOCKGDCS-UGFHNGPFSA-N 1 3 248.370 2.090 20 0 BEADHO N[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC000423314696 387153102 /nfs/dbraw/zinc/15/31/02/387153102.db2.gz HNQIRAPUHZREKB-UONOGXRCSA-N 1 3 234.318 2.140 20 0 BEADHO CC(C)CC[C@@H]([NH2+]CC1CNC1)C1CC1 ZINC000423314834 387153906 /nfs/dbraw/zinc/15/39/06/387153906.db2.gz HWEUQVGLOSRSAE-CYBMUJFWSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ccco1 ZINC000423318600 387159810 /nfs/dbraw/zinc/15/98/10/387159810.db2.gz CPIZXQFJAUMTGF-NSHDSACASA-N 1 3 222.332 2.320 20 0 BEADHO CCC1(CC)[C@@H](NCC2([NH3+])CCC2)C[C@@H]1OC ZINC000423319995 387160890 /nfs/dbraw/zinc/16/08/90/387160890.db2.gz FYGGTZKPXHESDL-RYUDHWBXSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H](N)C1CC1 ZINC000423321172 387161319 /nfs/dbraw/zinc/16/13/19/387161319.db2.gz MXCGIRRGUXISMY-NKZPBKNFSA-N 1 3 248.345 2.386 20 0 BEADHO CCO[C@H]1C[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000571745701 387168453 /nfs/dbraw/zinc/16/84/53/387168453.db2.gz WKIZNBPEFOJHLQ-OLZOCXBDSA-N 1 3 240.391 2.016 20 0 BEADHO N[C@H](C[NH2+][C@H]1CCCc2sccc21)C1CC1 ZINC000423323889 387168805 /nfs/dbraw/zinc/16/88/05/387168805.db2.gz PCQVBWSPVXPSSR-NEPJUHHUSA-N 1 3 236.384 2.452 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](N)C1CC1 ZINC000423328079 387170425 /nfs/dbraw/zinc/17/04/25/387170425.db2.gz RYAPUJHWTUHDOE-KGLIPLIRSA-N 1 3 246.354 2.009 20 0 BEADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccs1 ZINC000423342356 387193489 /nfs/dbraw/zinc/19/34/89/387193489.db2.gz KVKZIJWLQMCVLP-JTQLQIEISA-N 1 3 222.357 2.318 20 0 BEADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OC)cc1 ZINC000423328753 387172422 /nfs/dbraw/zinc/17/24/22/387172422.db2.gz SGYKIXZUPDLTTR-LSDHHAIUSA-N 1 3 248.370 2.473 20 0 BEADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(OC)cc1 ZINC000423328752 387174138 /nfs/dbraw/zinc/17/41/38/387174138.db2.gz SGYKIXZUPDLTTR-HUUCEWRRSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc2c(c1)COC2 ZINC000423331723 387178392 /nfs/dbraw/zinc/17/83/92/387178392.db2.gz UUADZNSIEMLYLW-BMIGLBTASA-N 1 3 246.354 2.105 20 0 BEADHO Cc1ccccc1C[C@@H]([NH2+]CC1CNC1)C1CC1 ZINC000423333162 387179338 /nfs/dbraw/zinc/17/93/38/387179338.db2.gz VMJXLXUWKXLABJ-MRXNPFEDSA-N 1 3 244.382 2.125 20 0 BEADHO Cc1ccccc1C[C@@H](NCC1C[NH2+]C1)C1CC1 ZINC000423333162 387179343 /nfs/dbraw/zinc/17/93/43/387179343.db2.gz VMJXLXUWKXLABJ-MRXNPFEDSA-N 1 3 244.382 2.125 20 0 BEADHO C[C@H]([NH2+]CC1CNC1)[C@@H]1CCCC[C@H]1C ZINC000423334545 387181519 /nfs/dbraw/zinc/18/15/19/387181519.db2.gz WREWZSXIFUHTGE-NTZNESFSSA-N 1 3 210.365 2.010 20 0 BEADHO [NH3+]CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000423340524 387190634 /nfs/dbraw/zinc/19/06/34/387190634.db2.gz XIHFLNPLJVRZQH-GFCCVEGCSA-N 1 3 240.297 2.281 20 0 BEADHO Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423300741 387133148 /nfs/dbraw/zinc/13/31/48/387133148.db2.gz FGMLCSBYASDAIJ-CABCVRRESA-N 1 3 248.345 2.271 20 0 BEADHO Fc1ccc([C@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423300741 387133151 /nfs/dbraw/zinc/13/31/51/387133151.db2.gz FGMLCSBYASDAIJ-CABCVRRESA-N 1 3 248.345 2.271 20 0 BEADHO c1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2CNC2)cc1 ZINC000423303571 387137136 /nfs/dbraw/zinc/13/71/36/387137136.db2.gz LZDJQUZWAVVYSH-GJZGRUSLSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@@H]2CCC[C@@H]2NCC2C[NH2+]C2)cc1 ZINC000423303571 387137139 /nfs/dbraw/zinc/13/71/39/387137139.db2.gz LZDJQUZWAVVYSH-GJZGRUSLSA-N 1 3 230.355 2.132 20 0 BEADHO Cc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])[C@H](C)C2 ZINC000423302989 387138103 /nfs/dbraw/zinc/13/81/03/387138103.db2.gz IGLUTSJYWZEFKX-YWPYICTPSA-N 1 3 232.371 2.413 20 0 BEADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)CN)[C@H](C)C2 ZINC000423302989 387138107 /nfs/dbraw/zinc/13/81/07/387138107.db2.gz IGLUTSJYWZEFKX-YWPYICTPSA-N 1 3 232.371 2.413 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000423304791 387139411 /nfs/dbraw/zinc/13/94/11/387139411.db2.gz ZLWXVNYICVFHOO-ZJUUUORDSA-N 1 3 212.381 2.242 20 0 BEADHO CC(C)CC[C@H]([NH2+]C[C@H](C)CN)C1CC1 ZINC000423306064 387141328 /nfs/dbraw/zinc/14/13/28/387141328.db2.gz LDAFPLXTWKVSNE-YPMHNXCESA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423353754 387204916 /nfs/dbraw/zinc/20/49/16/387204916.db2.gz CEOKEVXADIWSPT-ONERCXAPSA-N 1 3 248.345 2.401 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCc2cc(N)ccc21 ZINC000423354979 387205490 /nfs/dbraw/zinc/20/54/90/387205490.db2.gz DLIFMHKVIOBPOC-FIXISWKDSA-N 1 3 247.386 2.362 20 0 BEADHO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000423353756 387205868 /nfs/dbraw/zinc/20/58/68/387205868.db2.gz CEOKEVXADIWSPT-WKPIXPDZSA-N 1 3 248.345 2.401 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCc2cc(N)ccc21 ZINC000423354982 387205976 /nfs/dbraw/zinc/20/59/76/387205976.db2.gz DLIFMHKVIOBPOC-ZIBATOQPSA-N 1 3 247.386 2.362 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCC[C@H]1C ZINC000423425836 387252684 /nfs/dbraw/zinc/25/26/84/387252684.db2.gz HGQQKHNJIBLGQS-PRFQISJJSA-N 1 3 222.376 2.009 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCC3)CCN1 ZINC000423367299 387219491 /nfs/dbraw/zinc/21/94/91/387219491.db2.gz ADJVCKYKFPPFDF-GRYCIOLGSA-N 1 3 208.349 2.049 20 0 BEADHO COCC1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000423368813 387221228 /nfs/dbraw/zinc/22/12/28/387221228.db2.gz NPNOGEPQLPFAHN-YIOUJQMASA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCSCC1 ZINC000423371772 387222876 /nfs/dbraw/zinc/22/28/76/387222876.db2.gz FQWAEWGIWLHJSL-MDZLAQPJSA-N 1 3 242.432 2.248 20 0 BEADHO CCO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C12CCCCC2 ZINC000423369801 387223669 /nfs/dbraw/zinc/22/36/69/387223669.db2.gz OSELUCJGJXTKJE-AVGNSLFASA-N 1 3 240.391 2.051 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC12CCC2 ZINC000423371389 387224241 /nfs/dbraw/zinc/22/42/41/387224241.db2.gz VEYOTFMLQCZUQC-NEPJUHHUSA-N 1 3 208.349 2.051 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000230048685 387229354 /nfs/dbraw/zinc/22/93/54/387229354.db2.gz WBTDBTBXAMNBMC-AEGPPILISA-N 1 3 248.345 2.385 20 0 BEADHO C[NH2+][C@@H](C)CN[C@H](Cc1ccccc1)C(C)C ZINC000423400856 387234402 /nfs/dbraw/zinc/23/44/02/387234402.db2.gz VIPGREXGSLBIMT-DZGCQCFKSA-N 1 3 234.387 2.451 20 0 BEADHO C[N@@H+]1CC[C@H](NC2CC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000353589577 387235891 /nfs/dbraw/zinc/23/58/91/387235891.db2.gz QPASCCIQXJCPGO-SDDRHHMPSA-N 1 3 244.329 2.247 20 0 BEADHO C[N@H+]1CC[C@H](NC2CC(F)(F)C2)[C@@H]2CCC[C@H]21 ZINC000353589577 387235894 /nfs/dbraw/zinc/23/58/94/387235894.db2.gz QPASCCIQXJCPGO-SDDRHHMPSA-N 1 3 244.329 2.247 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2c1CCCN2 ZINC000423411953 387245500 /nfs/dbraw/zinc/24/55/00/387245500.db2.gz GQCSNESKORPBBM-VXGBXAGGSA-N 1 3 247.386 2.260 20 0 BEADHO CC(C)[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423430236 387253749 /nfs/dbraw/zinc/25/37/49/387253749.db2.gz KSUATGJIRZMREP-BJJPWKGXSA-N 1 3 222.376 2.009 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424938 387252102 /nfs/dbraw/zinc/25/21/02/387252102.db2.gz GCRUOLWBVSFMQV-XADZXUCXSA-N 1 3 222.376 2.009 20 0 BEADHO Cc1cc([C@H](C)NC[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000423463429 387310554 /nfs/dbraw/zinc/31/05/54/387310554.db2.gz FYJSUAZZTHOCMI-SRVKXCTJSA-N 1 3 237.347 2.151 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423463620 387311126 /nfs/dbraw/zinc/31/11/26/387311126.db2.gz LKMVYXQPYRKHDN-YPMHNXCESA-N 1 3 206.333 2.383 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccccc1 ZINC000423467642 387314279 /nfs/dbraw/zinc/31/42/79/387314279.db2.gz NZKSLINVPWGMBA-CHWSQXEVSA-N 1 3 206.333 2.465 20 0 BEADHO CC(C)CC[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423429128 387254792 /nfs/dbraw/zinc/25/47/92/387254792.db2.gz LALHRSUBNQKBOE-SEBNEYGDSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCN1 ZINC000423382726 387264329 /nfs/dbraw/zinc/26/43/29/387264329.db2.gz ONZDUIGBWGFSAR-KSTCHIGDSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000423392730 387278081 /nfs/dbraw/zinc/27/80/81/387278081.db2.gz LXEXYUVDIAMNCO-VZZFWQQMSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CCC1 ZINC000423392098 387279398 /nfs/dbraw/zinc/27/93/98/387279398.db2.gz XLCQTPIPMGMLPB-UHTWSYAYSA-N 1 3 210.365 2.295 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)N)CC2 ZINC000423433331 387283308 /nfs/dbraw/zinc/28/33/08/387283308.db2.gz CDFWBGOGGGEWDB-GPCCPHFNSA-N 1 3 234.343 2.008 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](C)N)CC2 ZINC000423433334 387283526 /nfs/dbraw/zinc/28/35/26/387283526.db2.gz CDFWBGOGGGEWDB-PKFCDNJMSA-N 1 3 234.343 2.008 20 0 BEADHO C1CCC2(C1)CCCC[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423435162 387286693 /nfs/dbraw/zinc/28/66/93/387286693.db2.gz QWLXVYLPCUONJY-RFQIPJPRSA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ccc(F)cn1 ZINC000423438359 387288396 /nfs/dbraw/zinc/28/83/96/387288396.db2.gz RIPJGUXWZMHJBJ-WDEREUQCSA-N 1 3 239.338 2.389 20 0 BEADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC(F)(F)CC1 ZINC000423443993 387292497 /nfs/dbraw/zinc/29/24/97/387292497.db2.gz WCNKALRDDGUWJN-OHBODLIOSA-N 1 3 244.329 2.008 20 0 BEADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC(F)(F)CC1 ZINC000423443994 387292567 /nfs/dbraw/zinc/29/25/67/387292567.db2.gz WCNKALRDDGUWJN-YJQGPUDQSA-N 1 3 244.329 2.008 20 0 BEADHO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccnc1 ZINC000423453729 387301087 /nfs/dbraw/zinc/30/10/87/387301087.db2.gz XYFNCFFRBRKSRF-MDZLAQPJSA-N 1 3 221.348 2.248 20 0 BEADHO CCCC[C@@H](C)[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423454390 387302060 /nfs/dbraw/zinc/30/20/60/387302060.db2.gz LOAZXTDEYORYOM-KVSVUVNWSA-N 1 3 210.365 2.009 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C12CCCC2 ZINC000423453818 387302173 /nfs/dbraw/zinc/30/21/73/387302173.db2.gz YHCZLOGMNJERAV-QNWHQSFQSA-N 1 3 240.391 2.050 20 0 BEADHO CC[C@@H](N[C@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423457764 387305702 /nfs/dbraw/zinc/30/57/02/387305702.db2.gz PMOCTIPCSNEPFL-ZYHUDNBSSA-N 1 3 239.338 2.389 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461636 387307893 /nfs/dbraw/zinc/30/78/93/387307893.db2.gz JZMJYXLXHYLHET-GWCFXTLKSA-N 1 3 249.358 2.033 20 0 BEADHO CCC[C@H](C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352539756 387308022 /nfs/dbraw/zinc/30/80/22/387308022.db2.gz CMAJSUOCDKYPOS-KBPBESRZSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000423461640 387308382 /nfs/dbraw/zinc/30/83/82/387308382.db2.gz JZMJYXLXHYLHET-MFKMUULPSA-N 1 3 249.358 2.033 20 0 BEADHO Cc1ccnc([C@H](C)NCCC2=CC[NH2+]CC2)c1 ZINC000423537055 387363042 /nfs/dbraw/zinc/36/30/42/387363042.db2.gz IWCJDRZGDSAARJ-ZDUSSCGKSA-N 1 3 245.370 2.350 20 0 BEADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC1(C)C ZINC000423541767 387365730 /nfs/dbraw/zinc/36/57/30/387365730.db2.gz AAFOMUUPLFDZHI-TUAOUCFPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1nccs1 ZINC000423543317 387367775 /nfs/dbraw/zinc/36/77/75/387367775.db2.gz UYNSNTKAAFXCLR-SNVBAGLBSA-N 1 3 237.372 2.104 20 0 BEADHO C(N[C@@H]1CCCC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000643502693 387368618 /nfs/dbraw/zinc/36/86/18/387368618.db2.gz OCYKOBCUWQNEFH-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO C(N[C@H]1CCCC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000643502692 387368758 /nfs/dbraw/zinc/36/87/58/387368758.db2.gz OCYKOBCUWQNEFH-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CCO1 ZINC000423547644 387370691 /nfs/dbraw/zinc/37/06/91/387370691.db2.gz LOLMCLJUFKXLDE-REWJHTLYSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423474362 387321815 /nfs/dbraw/zinc/32/18/15/387321815.db2.gz HFZZVPZCMNNBSK-STQMWFEESA-N 1 3 233.359 2.264 20 0 BEADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])CC)C12CCCC2 ZINC000423485993 387331585 /nfs/dbraw/zinc/33/15/85/387331585.db2.gz ZIJBLYSXNPDVBZ-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1ccc([C@H](C)N[C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000423492220 387336014 /nfs/dbraw/zinc/33/60/14/387336014.db2.gz MFXDMRBKKQJABO-SRVKXCTJSA-N 1 3 222.332 2.366 20 0 BEADHO CC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423504390 387343501 /nfs/dbraw/zinc/34/35/01/387343501.db2.gz GGEQUFXQVFQHAZ-KWCYVHTRSA-N 1 3 218.344 2.130 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000322002900 387346757 /nfs/dbraw/zinc/34/67/57/387346757.db2.gz HDLLEAMLQZYHLW-XQQFMLRXSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000643466826 387389266 /nfs/dbraw/zinc/38/92/66/387389266.db2.gz PTCAOPJZMLWNHQ-AVGNSLFASA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)C(C)(C)C ZINC000643455206 387390325 /nfs/dbraw/zinc/39/03/25/387390325.db2.gz GOPYPALBKMLZEJ-OUAUKWLOSA-N 1 3 200.370 2.384 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000361071062 387396997 /nfs/dbraw/zinc/39/69/97/387396997.db2.gz ZVGFHAZYWLXNTB-BFHYXJOUSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000361071062 387397001 /nfs/dbraw/zinc/39/70/01/387397001.db2.gz ZVGFHAZYWLXNTB-BFHYXJOUSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](C)[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000361071062 387397005 /nfs/dbraw/zinc/39/70/05/387397005.db2.gz ZVGFHAZYWLXNTB-BFHYXJOUSA-N 1 3 242.407 2.120 20 0 BEADHO Cc1ccc(F)c(CN2CCC(C[NH3+])CC2)c1 ZINC000084946733 387498609 /nfs/dbraw/zinc/49/86/09/387498609.db2.gz YZYCMDXPTWLSSM-UHFFFAOYSA-N 1 3 236.334 2.305 20 0 BEADHO CC1(C)C[C@@H](NCCC[NH+]2CCCCC2)CO1 ZINC000396815085 387498692 /nfs/dbraw/zinc/49/86/92/387498692.db2.gz SFXYRJJWXDOMIL-CYBMUJFWSA-N 1 3 240.391 2.020 20 0 BEADHO CO[C@@H](C)[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000355069925 387474112 /nfs/dbraw/zinc/47/41/12/387474112.db2.gz SIWBFYJHEQPLFR-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1NCC[NH2+]C1CC1 ZINC000643507792 387480611 /nfs/dbraw/zinc/48/06/11/387480611.db2.gz PPVRZWCQUAPLFP-VXGBXAGGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCCC(F)(F)F)NCC[NH2+]C1CC1 ZINC000643507412 387484416 /nfs/dbraw/zinc/48/44/16/387484416.db2.gz CFRRFAJGFHMRHJ-VIFPVBQESA-N 1 3 238.297 2.449 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000123893615 387598307 /nfs/dbraw/zinc/59/83/07/387598307.db2.gz SMJKDMUMNOPJIX-NXEZZACHSA-N 1 3 238.297 2.436 20 0 BEADHO COCCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422640732 387611200 /nfs/dbraw/zinc/61/12/00/387611200.db2.gz WAARMPRBJJSJSQ-IHRRRGAJSA-N 1 3 242.407 2.108 20 0 BEADHO COCCCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422640732 387611205 /nfs/dbraw/zinc/61/12/05/387611205.db2.gz WAARMPRBJJSJSQ-IHRRRGAJSA-N 1 3 242.407 2.108 20 0 BEADHO CCc1nc([C@@H](C)N[C@@H](C)CCC[NH3+])cs1 ZINC000422703039 387618957 /nfs/dbraw/zinc/61/89/57/387618957.db2.gz GSBKQKXFMKYOJF-VHSXEESVSA-N 1 3 241.404 2.484 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C1CNC1 ZINC000422707163 387620897 /nfs/dbraw/zinc/62/08/97/387620897.db2.gz VUZMJWPHNPWNBX-GRYCIOLGSA-N 1 3 210.365 2.010 20 0 BEADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422713320 387626054 /nfs/dbraw/zinc/62/60/54/387626054.db2.gz PMMBLURXPYXBSB-FBUXBERBSA-N 1 3 248.370 2.128 20 0 BEADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000422713319 387626681 /nfs/dbraw/zinc/62/66/81/387626681.db2.gz PMMBLURXPYXBSB-CJYSPXJISA-N 1 3 248.370 2.128 20 0 BEADHO C[C@]1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CCOC1 ZINC000397153313 387547845 /nfs/dbraw/zinc/54/78/45/387547845.db2.gz LIENLMBGBQGXIZ-RRFJBIMHSA-N 1 3 246.354 2.147 20 0 BEADHO CC(C)[NH+]1CCC(NCCc2ccco2)CC1 ZINC000035121620 387549152 /nfs/dbraw/zinc/54/91/52/387549152.db2.gz JJUMQFLHTRLVNN-UHFFFAOYSA-N 1 3 236.359 2.285 20 0 BEADHO CC(C)CCOCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422790316 387694601 /nfs/dbraw/zinc/69/46/01/387694601.db2.gz XOWPPFYMDQJVOE-UONOGXRCSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NCCN(C)c1ccccc1 ZINC000430588461 387629998 /nfs/dbraw/zinc/62/99/98/387629998.db2.gz ZHRDUXWHCJQFBB-HNNXBMFYSA-N 1 3 249.402 2.086 20 0 BEADHO C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1C)C1CNC1 ZINC000422726157 387635520 /nfs/dbraw/zinc/63/55/20/387635520.db2.gz DGOJYWOXTRTAMO-FRRDWIJNSA-N 1 3 224.392 2.400 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000430645221 387636526 /nfs/dbraw/zinc/63/65/26/387636526.db2.gz ZXQDHWKMEKRDTP-STQMWFEESA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)OCCC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000430645221 387636529 /nfs/dbraw/zinc/63/65/29/387636529.db2.gz ZXQDHWKMEKRDTP-STQMWFEESA-N 1 3 228.380 2.003 20 0 BEADHO C[C@@H](NCC(C)(C)c1cccs1)C1C[NH2+]C1 ZINC000422738544 387646268 /nfs/dbraw/zinc/64/62/68/387646268.db2.gz JSCOANHSRUPZTM-SNVBAGLBSA-N 1 3 238.400 2.223 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)c1cccs1)C1CNC1 ZINC000422738544 387646270 /nfs/dbraw/zinc/64/62/70/387646270.db2.gz JSCOANHSRUPZTM-SNVBAGLBSA-N 1 3 238.400 2.223 20 0 BEADHO C[C@H]([NH2+]CC[C@@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422741249 387648664 /nfs/dbraw/zinc/64/86/64/387648664.db2.gz DBHYFYBYHBNFAW-AGIUHOORSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422752296 387656205 /nfs/dbraw/zinc/65/62/05/387656205.db2.gz DPHCQRGDOJKMDR-XBFCOCLRSA-N 1 3 218.344 2.260 20 0 BEADHO Cc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000422749864 387656629 /nfs/dbraw/zinc/65/66/29/387656629.db2.gz BFSQIZBMBUCPOP-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccccc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422749864 387656634 /nfs/dbraw/zinc/65/66/34/387656634.db2.gz BFSQIZBMBUCPOP-CHWSQXEVSA-N 1 3 220.360 2.253 20 0 BEADHO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1C ZINC000422753126 387658164 /nfs/dbraw/zinc/65/81/64/387658164.db2.gz DQGKNGBSBMZICD-VXGBXAGGSA-N 1 3 236.359 2.219 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc(Cl)c1 ZINC000422758391 387660225 /nfs/dbraw/zinc/66/02/25/387660225.db2.gz IYIXGXRXXGDAKT-OLZOCXBDSA-N 1 3 238.762 2.352 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CNC1 ZINC000422756983 387660861 /nfs/dbraw/zinc/66/08/61/387660861.db2.gz CTASOMUVLPXCHF-XZUYRWCXSA-N 1 3 210.365 2.009 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000422756390 387661111 /nfs/dbraw/zinc/66/11/11/387661111.db2.gz CICKDKIUDCTSDV-QWHCGFSZSA-N 1 3 236.384 2.248 20 0 BEADHO Cc1ccccc1OCCCN1CC[C@H](C[NH3+])C1 ZINC000430924293 387662003 /nfs/dbraw/zinc/66/20/03/387662003.db2.gz AATSZAWQOYAEAX-CQSZACIVSA-N 1 3 248.370 2.045 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccccc1F ZINC000422766363 387666728 /nfs/dbraw/zinc/66/67/28/387666728.db2.gz PXNOUENBSNTSED-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC000422766363 387666732 /nfs/dbraw/zinc/66/67/32/387666732.db2.gz PXNOUENBSNTSED-GHMZBOCLSA-N 1 3 224.323 2.084 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422772763 387670179 /nfs/dbraw/zinc/67/01/79/387670179.db2.gz SVINCNQCXLYDNY-JHJVBQTASA-N 1 3 212.381 2.256 20 0 BEADHO Cc1ccc([C@H](C)C[NH2+][C@H](C)C2CNC2)cc1 ZINC000422773344 387670333 /nfs/dbraw/zinc/67/03/33/387670333.db2.gz YKPQAGRMKXDCFB-CHWSQXEVSA-N 1 3 232.371 2.296 20 0 BEADHO Cc1ccc([C@H](C)CN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422773344 387670336 /nfs/dbraw/zinc/67/03/36/387670336.db2.gz YKPQAGRMKXDCFB-CHWSQXEVSA-N 1 3 232.371 2.296 20 0 BEADHO CC[C@H](NC[C@H](C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422774632 387672107 /nfs/dbraw/zinc/67/21/07/387672107.db2.gz XURLALZVJHHOEE-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)C(C)C)[C@@H]1CCCN1 ZINC000422774632 387672111 /nfs/dbraw/zinc/67/21/11/387672111.db2.gz XURLALZVJHHOEE-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO COc1cc(CCN[C@@H]2CCC[C@@H]2[NH3+])ccc1C ZINC000422775114 387672225 /nfs/dbraw/zinc/67/22/25/387672225.db2.gz ACSQLWNKLLLWRN-UONOGXRCSA-N 1 3 248.370 2.016 20 0 BEADHO COc1cc(CCN[C@@H]2CCC[C@H]2[NH3+])ccc1C ZINC000422775115 387672358 /nfs/dbraw/zinc/67/23/58/387672358.db2.gz ACSQLWNKLLLWRN-ZIAGYGMSSA-N 1 3 248.370 2.016 20 0 BEADHO COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422774398 387672988 /nfs/dbraw/zinc/67/29/88/387672988.db2.gz WVFFQHAHDVPESI-HUUCEWRRSA-N 1 3 248.370 2.445 20 0 BEADHO C1=CCC(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000527742484 387686781 /nfs/dbraw/zinc/68/67/81/387686781.db2.gz BQNDOLTUBLAUGA-ZIAGYGMSSA-N 1 3 220.360 2.169 20 0 BEADHO CC(C)COCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422795071 387696632 /nfs/dbraw/zinc/69/66/32/387696632.db2.gz ZPFIJJYQQFAXNM-KGLIPLIRSA-N 1 3 242.407 2.027 20 0 BEADHO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643526307 387749699 /nfs/dbraw/zinc/74/96/99/387749699.db2.gz YYKAHDUDARGASG-NWDGAFQWSA-N 1 3 236.359 2.473 20 0 BEADHO CC[C@@H]1CCC[C@H]1N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422877797 387754613 /nfs/dbraw/zinc/75/46/13/387754613.db2.gz RSAIEVRAIFJBHI-QNWHQSFQSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCN1 ZINC000422877797 387754621 /nfs/dbraw/zinc/75/46/21/387754621.db2.gz RSAIEVRAIFJBHI-QNWHQSFQSA-N 1 3 210.365 2.295 20 0 BEADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)C(C)(C)C ZINC000422801764 387700932 /nfs/dbraw/zinc/70/09/32/387700932.db2.gz AMYVHYXBLAGMMY-YNEHKIRRSA-N 1 3 242.407 2.155 20 0 BEADHO Cc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422801500 387702377 /nfs/dbraw/zinc/70/23/77/387702377.db2.gz FOTKQBFYUHLZKG-VXGBXAGGSA-N 1 3 206.333 2.210 20 0 BEADHO CO[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C(C)(C)C ZINC000422805392 387704264 /nfs/dbraw/zinc/70/42/64/387704264.db2.gz GPGPHUBJWJUNFY-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO COCc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422807009 387706070 /nfs/dbraw/zinc/70/60/70/387706070.db2.gz LOMJRABGOLZIOT-VXGBXAGGSA-N 1 3 236.359 2.048 20 0 BEADHO CCOCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422810919 387707578 /nfs/dbraw/zinc/70/75/78/387707578.db2.gz SMOBHGQAPZPHBP-GJZGRUSLSA-N 1 3 248.370 2.193 20 0 BEADHO CCSCC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422810374 387708804 /nfs/dbraw/zinc/70/88/04/387708804.db2.gz RRVGLMSSAPTTAF-ACJTYDJDSA-N 1 3 242.432 2.391 20 0 BEADHO C[C@H](Cc1cccs1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422809412 387709377 /nfs/dbraw/zinc/70/93/77/387709377.db2.gz PQLCXJTXHUUGCC-HBNTYKKESA-N 1 3 226.389 2.395 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@H](C)C[C@H](C)N ZINC000422809412 387709378 /nfs/dbraw/zinc/70/93/78/387709378.db2.gz PQLCXJTXHUUGCC-HBNTYKKESA-N 1 3 226.389 2.395 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccsc1 ZINC000422811265 387709456 /nfs/dbraw/zinc/70/94/56/387709456.db2.gz TZYBHQXODGAJQV-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccsc1 ZINC000422811265 387709459 /nfs/dbraw/zinc/70/94/59/387709459.db2.gz TZYBHQXODGAJQV-VHSXEESVSA-N 1 3 212.362 2.006 20 0 BEADHO CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422810921 387709702 /nfs/dbraw/zinc/70/97/02/387709702.db2.gz SMOBHGQAPZPHBP-LSDHHAIUSA-N 1 3 248.370 2.193 20 0 BEADHO CCO[C@H](CCN[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422814303 387710987 /nfs/dbraw/zinc/71/09/87/387710987.db2.gz UFQDSVVEBQCIBZ-MGPQQGTHSA-N 1 3 242.407 2.025 20 0 BEADHO COCc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422812662 387711734 /nfs/dbraw/zinc/71/17/34/387711734.db2.gz YDPMDFIMESNQLB-VXGBXAGGSA-N 1 3 236.359 2.048 20 0 BEADHO C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CCCNCC1 ZINC000643522290 387719185 /nfs/dbraw/zinc/71/91/85/387719185.db2.gz KVCNRJHSZNLIGS-VXGBXAGGSA-N 1 3 208.349 2.051 20 0 BEADHO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000422831270 387723485 /nfs/dbraw/zinc/72/34/85/387723485.db2.gz DHLYJHJWIRAQOC-KGYLQXTDSA-N 1 3 242.432 2.248 20 0 BEADHO CCS[C@@H]1CCCC[C@@H]1N[C@H](C)C1C[NH2+]C1 ZINC000422831270 387723491 /nfs/dbraw/zinc/72/34/91/387723491.db2.gz DHLYJHJWIRAQOC-KGYLQXTDSA-N 1 3 242.432 2.248 20 0 BEADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1F ZINC000422789687 387732550 /nfs/dbraw/zinc/73/25/50/387732550.db2.gz BKZLHXBQMLPSON-WDEREUQCSA-N 1 3 224.323 2.350 20 0 BEADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCS1 ZINC000128074624 387734630 /nfs/dbraw/zinc/73/46/30/387734630.db2.gz RUXARMORPGJVPC-AVGNSLFASA-N 1 3 240.416 2.098 20 0 BEADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCS1 ZINC000128074624 387734634 /nfs/dbraw/zinc/73/46/34/387734634.db2.gz RUXARMORPGJVPC-AVGNSLFASA-N 1 3 240.416 2.098 20 0 BEADHO COCc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422879381 387755957 /nfs/dbraw/zinc/75/59/57/387755957.db2.gz KHUITWSUTCHGBV-VXGBXAGGSA-N 1 3 236.359 2.048 20 0 BEADHO Cc1cccc(CC[NH2+][C@H](C)C[C@H](C)N)c1 ZINC000422853523 387737583 /nfs/dbraw/zinc/73/75/83/387737583.db2.gz YZQSOPVBLLIKMC-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1cccc(CCN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422853523 387737585 /nfs/dbraw/zinc/73/75/85/387737585.db2.gz YZQSOPVBLLIKMC-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCOc2ccccc21 ZINC000422889575 387762296 /nfs/dbraw/zinc/76/22/96/387762296.db2.gz PWJVVRKHZBJQGA-IACUBPJLSA-N 1 3 246.354 2.022 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422897572 387765245 /nfs/dbraw/zinc/76/52/45/387765245.db2.gz CBULUTBBPFFUPB-ZOBORPQBSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422904444 387767613 /nfs/dbraw/zinc/76/76/13/387767613.db2.gz PYLOCCUTFQRFSC-ZOBORPQBSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](CCc1cccc(F)c1)NC[C@H](C)[NH3+] ZINC000643528558 387770713 /nfs/dbraw/zinc/77/07/13/387770713.db2.gz LJPLUEOYCJDFLM-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@H](COC)NCC1(C[NH+](C)C)CCCC1 ZINC000129475421 387771464 /nfs/dbraw/zinc/77/14/64/387771464.db2.gz RZFHBUQCVLMMOH-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000643528082 387774447 /nfs/dbraw/zinc/77/44/47/387774447.db2.gz YUTQGBSBATUAOL-XWUBHJNHSA-N 1 3 218.344 2.115 20 0 BEADHO C[C@H](N)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000643528165 387775512 /nfs/dbraw/zinc/77/55/12/387775512.db2.gz DUFHKGIIYBRKKM-FZMZJTMJSA-N 1 3 218.344 2.465 20 0 BEADHO C[C@H]([NH3+])CN[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000643528084 387775728 /nfs/dbraw/zinc/77/57/28/387775728.db2.gz YWYCITWUAQPXDN-CDGCEXEKSA-N 1 3 218.344 2.115 20 0 BEADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CCNC1 ZINC000422936299 387783352 /nfs/dbraw/zinc/78/33/52/387783352.db2.gz BGRCRBCNPZYBTK-LBPRGKRZSA-N 1 3 212.381 2.399 20 0 BEADHO Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000422983692 387792927 /nfs/dbraw/zinc/79/29/27/387792927.db2.gz UOAOYCHECGCDAX-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422983692 387792930 /nfs/dbraw/zinc/79/29/30/387792930.db2.gz UOAOYCHECGCDAX-QWHCGFSZSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000422983691 387793021 /nfs/dbraw/zinc/79/30/21/387793021.db2.gz UOAOYCHECGCDAX-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO Cc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422983691 387793023 /nfs/dbraw/zinc/79/30/23/387793023.db2.gz UOAOYCHECGCDAX-OLZOCXBDSA-N 1 3 220.360 2.253 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422982959 387793561 /nfs/dbraw/zinc/79/35/61/387793561.db2.gz YHIQSLKAFJNKEN-SDDRHHMPSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422982959 387793563 /nfs/dbraw/zinc/79/35/63/387793563.db2.gz YHIQSLKAFJNKEN-SDDRHHMPSA-N 1 3 236.359 2.039 20 0 BEADHO C[C@H](CC[N@@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245564 387794211 /nfs/dbraw/zinc/79/42/11/387794211.db2.gz KRYJPHUVKDNLFB-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](CC[N@H+]1CC[C@H](CN)C1)c1ccccc1 ZINC000050245564 387794216 /nfs/dbraw/zinc/79/42/16/387794216.db2.gz KRYJPHUVKDNLFB-ZIAGYGMSSA-N 1 3 232.371 2.461 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCCC(F)(F)C1 ZINC000422986616 387795082 /nfs/dbraw/zinc/79/50/82/387795082.db2.gz CWTQPLXCCOXENH-IVZWLZJFSA-N 1 3 218.291 2.034 20 0 BEADHO CCC(CC)[C@H](CC[NH2+][C@@H](C)C1CNC1)OC ZINC000422995563 387802607 /nfs/dbraw/zinc/80/26/07/387802607.db2.gz KJJJPETUQVBIJO-FZMZJTMJSA-N 1 3 242.407 2.025 20 0 BEADHO CCC(CC)[C@H](CCN[C@@H](C)C1C[NH2+]C1)OC ZINC000422995563 387802612 /nfs/dbraw/zinc/80/26/12/387802612.db2.gz KJJJPETUQVBIJO-FZMZJTMJSA-N 1 3 242.407 2.025 20 0 BEADHO COc1cc(C)cc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423001628 387807477 /nfs/dbraw/zinc/80/74/77/387807477.db2.gz IFLVWLNMDFMNES-RYUDHWBXSA-N 1 3 236.359 2.219 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000422954360 387809134 /nfs/dbraw/zinc/80/91/34/387809134.db2.gz IJTQIKNFZXAKBJ-IJLUTSLNSA-N 1 3 210.365 2.010 20 0 BEADHO CCO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C12CCCCC2 ZINC000643526533 387757464 /nfs/dbraw/zinc/75/74/64/387757464.db2.gz AQGMDYUMSHNMTL-FRRDWIJNSA-N 1 3 240.391 2.051 20 0 BEADHO CCO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C12CCCCC2 ZINC000643526536 387757783 /nfs/dbraw/zinc/75/77/83/387757783.db2.gz AQGMDYUMSHNMTL-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO Cc1nc(CCN[C@H](C)C[C@H](C)[NH3+])sc1C ZINC000422889362 387759355 /nfs/dbraw/zinc/75/93/55/387759355.db2.gz GBUOJFTZKCLMKI-DTWKUNHWSA-N 1 3 241.404 2.018 20 0 BEADHO Cc1nc(C)c(CCN[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000422885577 387759590 /nfs/dbraw/zinc/75/95/90/387759590.db2.gz HAWHDSGJYLVQTN-RKDXNWHRSA-N 1 3 241.404 2.018 20 0 BEADHO Cc1nc(C)c(CC[NH2+][C@H](C)C[C@@H](C)N)s1 ZINC000422885577 387759594 /nfs/dbraw/zinc/75/95/94/387759594.db2.gz HAWHDSGJYLVQTN-RKDXNWHRSA-N 1 3 241.404 2.018 20 0 BEADHO Cc1nc(CCN[C@@H](C)C[C@@H](C)[NH3+])sc1C ZINC000422889361 387760530 /nfs/dbraw/zinc/76/05/30/387760530.db2.gz GBUOJFTZKCLMKI-BDAKNGLRSA-N 1 3 241.404 2.018 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000432796992 387821624 /nfs/dbraw/zinc/82/16/24/387821624.db2.gz JMJIMIQSQHVICG-AGIUHOORSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000432796992 387821628 /nfs/dbraw/zinc/82/16/28/387821628.db2.gz JMJIMIQSQHVICG-AGIUHOORSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000423007239 387829198 /nfs/dbraw/zinc/82/91/98/387829198.db2.gz XDHHXSSSFNDMMH-ZJQBRPOHSA-N 1 3 248.370 2.267 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000423007239 387829200 /nfs/dbraw/zinc/82/92/00/387829200.db2.gz XDHHXSSSFNDMMH-ZJQBRPOHSA-N 1 3 248.370 2.267 20 0 BEADHO CC[C@@H](CSC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423011171 387834703 /nfs/dbraw/zinc/83/47/03/387834703.db2.gz ANQLXGUWVUZOLJ-WSMDXJOWSA-N 1 3 228.405 2.001 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000442763712 387834904 /nfs/dbraw/zinc/83/49/04/387834904.db2.gz JBIZKZFUJNSJKW-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000442763712 387834907 /nfs/dbraw/zinc/83/49/07/387834907.db2.gz JBIZKZFUJNSJKW-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO Cc1ccc(CCN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442763712 387834909 /nfs/dbraw/zinc/83/49/09/387834909.db2.gz JBIZKZFUJNSJKW-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO CC(C)CSCCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423013901 387836120 /nfs/dbraw/zinc/83/61/20/387836120.db2.gz NTKMIJJOXLLKKG-NWDGAFQWSA-N 1 3 230.421 2.235 20 0 BEADHO Cc1cnccc1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423014108 387836360 /nfs/dbraw/zinc/83/63/60/387836360.db2.gz OHNPXPQKGPCWDU-GJZGRUSLSA-N 1 3 247.386 2.040 20 0 BEADHO CC(C)CSCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423014865 387838260 /nfs/dbraw/zinc/83/82/60/387838260.db2.gz PYEQKZWFPSIPSP-NEPJUHHUSA-N 1 3 232.437 2.481 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000423015256 387839687 /nfs/dbraw/zinc/83/96/87/387839687.db2.gz QOQQNVUDZJXWSN-BDAKNGLRSA-N 1 3 220.307 2.280 20 0 BEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC1(C)C ZINC000423028417 387846315 /nfs/dbraw/zinc/84/63/15/387846315.db2.gz QNULUENBKBLQMY-YUTCNCBUSA-N 1 3 232.371 2.333 20 0 BEADHO COCCC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423030338 387846464 /nfs/dbraw/zinc/84/64/64/387846464.db2.gz BIDZIYZIBICQPI-QWHCGFSZSA-N 1 3 242.407 2.027 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423031532 387847270 /nfs/dbraw/zinc/84/72/70/387847270.db2.gz LGBGSPBQFUXURI-UONOGXRCSA-N 1 3 242.407 2.169 20 0 BEADHO CS[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000423031921 387848431 /nfs/dbraw/zinc/84/84/31/387848431.db2.gz LQTSCSQGIJZZAO-GMTAPVOTSA-N 1 3 230.421 2.234 20 0 BEADHO Cc1cnc([C@H](C)CN[C@H](C)C[C@H](C)[NH3+])s1 ZINC000423035770 387850711 /nfs/dbraw/zinc/85/07/11/387850711.db2.gz KDESHAYYLLBSHN-KXUCPTDWSA-N 1 3 241.404 2.270 20 0 BEADHO CS[C@H](C[NH2+][C@@H](C)C[C@H](C)N)C(C)(C)C ZINC000423037036 387850804 /nfs/dbraw/zinc/85/08/04/387850804.db2.gz VIQTWEWDSXPMMS-GARJFASQSA-N 1 3 232.437 2.480 20 0 BEADHO CS[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000423037036 387850808 /nfs/dbraw/zinc/85/08/08/387850808.db2.gz VIQTWEWDSXPMMS-GARJFASQSA-N 1 3 232.437 2.480 20 0 BEADHO Cc1cnc([C@H](C)CN[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000423035772 387850936 /nfs/dbraw/zinc/85/09/36/387850936.db2.gz KDESHAYYLLBSHN-UTLUCORTSA-N 1 3 241.404 2.270 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000423075242 387874270 /nfs/dbraw/zinc/87/42/70/387874270.db2.gz OCHLOTDDMFBMHK-FRRDWIJNSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)C(F)(F)F ZINC000423052051 387860316 /nfs/dbraw/zinc/86/03/16/387860316.db2.gz OYUHSVCZIIFHOA-KXUCPTDWSA-N 1 3 238.297 2.163 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)[C@H]1CCCNC1 ZINC000643460326 387874495 /nfs/dbraw/zinc/87/44/95/387874495.db2.gz QETXPBFUVAMGQW-NFAWXSAZSA-N 1 3 247.386 2.163 20 0 BEADHO C[C@@H](NC[C@@H](C)c1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000643460326 387874499 /nfs/dbraw/zinc/87/44/99/387874499.db2.gz QETXPBFUVAMGQW-NFAWXSAZSA-N 1 3 247.386 2.163 20 0 BEADHO CCC(O)(CC)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423065802 387868967 /nfs/dbraw/zinc/86/89/67/387868967.db2.gz CMMCAQKADDCQRT-QWHCGFSZSA-N 1 3 242.407 2.177 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1NCCC1=CCCCC1 ZINC000422968402 387818679 /nfs/dbraw/zinc/81/86/79/387818679.db2.gz WSPVZXIUMCHGDX-TZMCWYRMSA-N 1 3 222.376 2.465 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc2[nH]ccc2c1 ZINC000423109804 387893174 /nfs/dbraw/zinc/89/31/74/387893174.db2.gz UZBWRDWZCJNXPJ-NWDGAFQWSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000423109804 387893177 /nfs/dbraw/zinc/89/31/77/387893177.db2.gz UZBWRDWZCJNXPJ-NWDGAFQWSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1ccc2n[nH]cc2c1 ZINC000423108691 387893330 /nfs/dbraw/zinc/89/33/30/387893330.db2.gz MNTUIIYWLNJULP-HBNTYKKESA-N 1 3 246.358 2.339 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000423108684 387893644 /nfs/dbraw/zinc/89/36/44/387893644.db2.gz MNTUIIYWLNJULP-AXFHLTTASA-N 1 3 246.358 2.339 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000423108686 387894417 /nfs/dbraw/zinc/89/44/17/387894417.db2.gz MNTUIIYWLNJULP-DCAQKATOSA-N 1 3 246.358 2.339 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CNC1 ZINC000423117799 387898946 /nfs/dbraw/zinc/89/89/46/387898946.db2.gz XHAXUVSYCJXESC-NXEZZACHSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CNC1 ZINC000423111828 387897104 /nfs/dbraw/zinc/89/71/04/387897104.db2.gz JJJKPOQXBGMIET-SECBINFHSA-N 1 3 232.318 2.009 20 0 BEADHO COCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C(C)(C)C ZINC000423116775 387897885 /nfs/dbraw/zinc/89/78/85/387897885.db2.gz RLSNJDIKOVNTKM-SRVKXCTJSA-N 1 3 230.396 2.153 20 0 BEADHO CC[C@H](NCCC1(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423083222 387878512 /nfs/dbraw/zinc/87/85/12/387878512.db2.gz FQOPRNKHOGLDBN-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H]([NH2+]CCC1(C)CC1)[C@@H]1CCCN1 ZINC000423083222 387878518 /nfs/dbraw/zinc/87/85/18/387878518.db2.gz FQOPRNKHOGLDBN-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](Cc1cccs1)N[C@H](C)[C@@H](C)[NH3+] ZINC000643539943 387880845 /nfs/dbraw/zinc/88/08/45/387880845.db2.gz YEJBDATZTGDBQM-GMTAPVOTSA-N 1 3 226.389 2.395 20 0 BEADHO CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1ccccc1 ZINC000423089069 387880888 /nfs/dbraw/zinc/88/08/88/387880888.db2.gz RNUHYBCHOUAMFT-RBSFLKMASA-N 1 3 248.370 2.234 20 0 BEADHO C[C@H](N[C@H]1C[C@H](c2ccccc2F)C1)C1C[NH2+]C1 ZINC000423092066 387882769 /nfs/dbraw/zinc/88/27/69/387882769.db2.gz AIHWJESRFCLVLE-GVXVVHGQSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1CNC1 ZINC000423092066 387882771 /nfs/dbraw/zinc/88/27/71/387882771.db2.gz AIHWJESRFCLVLE-GVXVVHGQSA-N 1 3 248.345 2.269 20 0 BEADHO CC[C@@H]([NH3+])CN[C@H]1CCCc2ccccc2C1 ZINC000643540806 387882909 /nfs/dbraw/zinc/88/29/09/387882909.db2.gz VIZJOEIYSXOWKU-CABCVRRESA-N 1 3 232.371 2.261 20 0 BEADHO Fc1ccccc1CCC[NH2+]C1CCNCC1 ZINC000423093132 387883103 /nfs/dbraw/zinc/88/31/03/387883103.db2.gz FWWFEMPCGFJJOH-UHFFFAOYSA-N 1 3 236.334 2.100 20 0 BEADHO Fc1ccccc1CCCNC1CC[NH2+]CC1 ZINC000423093132 387883104 /nfs/dbraw/zinc/88/31/04/387883104.db2.gz FWWFEMPCGFJJOH-UHFFFAOYSA-N 1 3 236.334 2.100 20 0 BEADHO C[C@@H](N[C@H]1C[C@H](c2ccccc2F)C1)C1C[NH2+]C1 ZINC000423092067 387883697 /nfs/dbraw/zinc/88/36/97/387883697.db2.gz AIHWJESRFCLVLE-NQBHXWOUSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2F)C1)C1CNC1 ZINC000423092067 387883700 /nfs/dbraw/zinc/88/37/00/387883700.db2.gz AIHWJESRFCLVLE-NQBHXWOUSA-N 1 3 248.345 2.269 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1ccccc1F ZINC000423095433 387885666 /nfs/dbraw/zinc/88/56/66/387885666.db2.gz MDLLCPIJBMXXPA-VXGBXAGGSA-N 1 3 238.350 2.474 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1ccccc1F ZINC000423095433 387885672 /nfs/dbraw/zinc/88/56/72/387885672.db2.gz MDLLCPIJBMXXPA-VXGBXAGGSA-N 1 3 238.350 2.474 20 0 BEADHO Cc1cccc(CCC[NH2+][C@H](C)C[C@@H](C)N)n1 ZINC000423098470 387887725 /nfs/dbraw/zinc/88/77/25/387887725.db2.gz CTWFEXJYUYMZJC-DGCLKSJQSA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccc(CCCN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423098470 387887732 /nfs/dbraw/zinc/88/77/32/387887732.db2.gz CTWFEXJYUYMZJC-DGCLKSJQSA-N 1 3 235.375 2.038 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000423101935 387888469 /nfs/dbraw/zinc/88/84/69/387888469.db2.gz WOJZJTZIKKLENX-YIYPIFLZSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000423116158 387899374 /nfs/dbraw/zinc/89/93/74/387899374.db2.gz ZRTPHBCBTMPAGT-OLUVUFQESA-N 1 3 233.359 2.298 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423121175 387900846 /nfs/dbraw/zinc/90/08/46/387900846.db2.gz IDEHMAXNKITTJC-QWHCGFSZSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@H](CCC[NH3+])NCc1c(F)cc(F)cc1F ZINC000423126117 387905654 /nfs/dbraw/zinc/90/56/54/387905654.db2.gz ARTBWTDHUULSQW-MRVPVSSYSA-N 1 3 246.276 2.321 20 0 BEADHO CO[C@H](C)[C@@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423125609 387905667 /nfs/dbraw/zinc/90/56/67/387905667.db2.gz AKZUMSHHSGBLFG-AAVRWANBSA-N 1 3 242.407 2.310 20 0 BEADHO C[NH+](C)C1CCN(CC2CC(C)(C)C2)CC1 ZINC000528351407 387907090 /nfs/dbraw/zinc/90/70/90/387907090.db2.gz PGBSZCNYEPSNFB-UHFFFAOYSA-N 1 3 224.392 2.449 20 0 BEADHO COCC1(C[NH2+][C@H](C)C[C@H](C)N)CCCCC1 ZINC000423134763 387911448 /nfs/dbraw/zinc/91/14/48/387911448.db2.gz FHDUTIUQXGPHAP-QWHCGFSZSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)C1CNC1 ZINC000423135908 387913846 /nfs/dbraw/zinc/91/38/46/387913846.db2.gz OOWYJNXGPSXSFC-PWSUYJOCSA-N 1 3 210.365 2.010 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCCC1(F)F ZINC000423150834 387929532 /nfs/dbraw/zinc/92/95/32/387929532.db2.gz ZHTWFQRVULGLNG-MXWKQRLJSA-N 1 3 232.318 2.281 20 0 BEADHO CC(C)[C@@H]1C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423150953 387929863 /nfs/dbraw/zinc/92/98/63/387929863.db2.gz JJFXBMXTNMIBLP-MWWBDVBNSA-N 1 3 222.376 2.151 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@@H](C)C[C@H](C)N ZINC000423151930 387930233 /nfs/dbraw/zinc/93/02/33/387930233.db2.gz KWJHBJWTSQHKAK-STQMWFEESA-N 1 3 235.375 2.038 20 0 BEADHO Cc1cccnc1CCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423151930 387930236 /nfs/dbraw/zinc/93/02/36/387930236.db2.gz KWJHBJWTSQHKAK-STQMWFEESA-N 1 3 235.375 2.038 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423152704 387932001 /nfs/dbraw/zinc/93/20/01/387932001.db2.gz MAOPHLLJZFBCHV-RNJOBUHISA-N 1 3 210.365 2.010 20 0 BEADHO FC1(F)CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423153916 387932383 /nfs/dbraw/zinc/93/23/83/387932383.db2.gz OCIQJMLLDYWSHA-WSMDXJOWSA-N 1 3 244.329 2.294 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)C1)C1CNC1 ZINC000423157873 387935952 /nfs/dbraw/zinc/93/59/52/387935952.db2.gz BTKCKWBMIWQKOV-VXGBXAGGSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC1(F)F ZINC000423156385 387936585 /nfs/dbraw/zinc/93/65/85/387936585.db2.gz SILLMZKOBQILJP-UTUOFQBUSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCC1(F)F ZINC000423156385 387936588 /nfs/dbraw/zinc/93/65/88/387936588.db2.gz SILLMZKOBQILJP-UTUOFQBUSA-N 1 3 246.345 2.400 20 0 BEADHO Cc1csc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423156940 387936875 /nfs/dbraw/zinc/93/68/75/387936875.db2.gz UPFUWTXGICGBLE-UWVGGRQHSA-N 1 3 212.362 2.272 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CSc2ccccc21 ZINC000423142905 387920406 /nfs/dbraw/zinc/92/04/06/387920406.db2.gz BPHRLAIRYCANDY-CYZMBNFOSA-N 1 3 248.395 2.345 20 0 BEADHO Cc1cccc2c1OC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C2 ZINC000423144412 387921538 /nfs/dbraw/zinc/92/15/38/387921538.db2.gz YWIZXVORNITQEH-SGMGOOAPSA-N 1 3 248.370 2.014 20 0 BEADHO CC1(F)CC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423146255 387923082 /nfs/dbraw/zinc/92/30/82/387923082.db2.gz OWEBHPSCFNDBDV-XLICRZQSSA-N 1 3 240.366 2.387 20 0 BEADHO CC1(F)CC(N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423146253 387923320 /nfs/dbraw/zinc/92/33/20/387923320.db2.gz OWEBHPSCFNDBDV-DEULPLRUSA-N 1 3 240.366 2.387 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000423145448 387923588 /nfs/dbraw/zinc/92/35/88/387923588.db2.gz KROIIFBEYNSCBR-RHYQMDGZSA-N 1 3 214.328 2.127 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC(C)(F)F ZINC000423147499 387925095 /nfs/dbraw/zinc/92/50/95/387925095.db2.gz SGXCKAVDFKJWLV-QWRGUYRKSA-N 1 3 234.334 2.400 20 0 BEADHO C[C@H]([NH2+]CC1(C2CCC2)CCC1)C1CNC1 ZINC000423159077 387940021 /nfs/dbraw/zinc/94/00/21/387940021.db2.gz FFJFNSSHRDKXCW-NSHDSACASA-N 1 3 222.376 2.154 20 0 BEADHO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000423160375 387942119 /nfs/dbraw/zinc/94/21/19/387942119.db2.gz QRYRLCZNIMGSNO-XQQFMLRXSA-N 1 3 224.392 2.400 20 0 BEADHO CC[C@@]1(C(C)C)C[C@H]1[NH2+]C1CCNCC1 ZINC000423162125 387944475 /nfs/dbraw/zinc/94/44/75/387944475.db2.gz KNFSGTQRJQWPHD-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@]1(C(C)C)C[C@H]1NC1CC[NH2+]CC1 ZINC000423162125 387944479 /nfs/dbraw/zinc/94/44/79/387944479.db2.gz KNFSGTQRJQWPHD-OLZOCXBDSA-N 1 3 210.365 2.153 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000245466132 387947706 /nfs/dbraw/zinc/94/77/06/387947706.db2.gz YVCXIVFZSRNSGZ-ZIAGYGMSSA-N 1 3 222.376 2.369 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000245466132 387947709 /nfs/dbraw/zinc/94/77/09/387947709.db2.gz YVCXIVFZSRNSGZ-ZIAGYGMSSA-N 1 3 222.376 2.369 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NCCC[NH3+])[C@@H](C)C2 ZINC000423179951 387966568 /nfs/dbraw/zinc/96/65/68/387966568.db2.gz DOUCHXGZAQTHSF-FZMZJTMJSA-N 1 3 218.344 2.167 20 0 BEADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCN ZINC000423187625 387972327 /nfs/dbraw/zinc/97/23/27/387972327.db2.gz KXVWTXHXBOCETO-NSHDSACASA-N 1 3 232.327 2.302 20 0 BEADHO C[C@@H](Cc1coc2ccccc12)NCCC[NH3+] ZINC000423187625 387972332 /nfs/dbraw/zinc/97/23/32/387972332.db2.gz KXVWTXHXBOCETO-NSHDSACASA-N 1 3 232.327 2.302 20 0 BEADHO CC[C@@H]([NH2+]C1CCNCC1)c1cccc(OC)c1 ZINC000423186402 387970965 /nfs/dbraw/zinc/97/09/65/387970965.db2.gz NYNXTVJBLFXMNZ-OAHLLOKOSA-N 1 3 248.370 2.488 20 0 BEADHO CNCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000423186653 387970975 /nfs/dbraw/zinc/97/09/75/387970975.db2.gz LLDQUQGUVUDUCH-UHFFFAOYSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H](NC[C@@H]1C[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423170277 387956901 /nfs/dbraw/zinc/95/69/01/387956901.db2.gz XQYZSSYQQLKKCP-VZZFWQQMSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H](NCC[NH3+])C1(c2ccccc2)CCCC1 ZINC000423195618 387979402 /nfs/dbraw/zinc/97/94/02/387979402.db2.gz ZRJSKRFNFCDFHE-CYBMUJFWSA-N 1 3 232.371 2.435 20 0 BEADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCC[NH3+] ZINC000423195176 387979587 /nfs/dbraw/zinc/97/95/87/387979587.db2.gz SKUWTLKKTSHRIH-QMTHXVAHSA-N 1 3 236.334 2.388 20 0 BEADHO C[C@@H]1CCc2c(F)cccc2[C@H]1NCCC[NH3+] ZINC000423195177 387979593 /nfs/dbraw/zinc/97/95/93/387979593.db2.gz SKUWTLKKTSHRIH-YGRLFVJLSA-N 1 3 236.334 2.388 20 0 BEADHO CC[C@H](NCCC[NH3+])c1cccc(OC)c1 ZINC000423196018 387981218 /nfs/dbraw/zinc/98/12/18/387981218.db2.gz UHZGTQLKENWQQA-ZDUSSCGKSA-N 1 3 222.332 2.085 20 0 BEADHO C[C@H]([NH2+]CCCN)C1CCC(F)(F)CC1 ZINC000423196772 387981472 /nfs/dbraw/zinc/98/14/72/387981472.db2.gz WELYDCBNAAKOCY-VIFPVBQESA-N 1 3 220.307 2.139 20 0 BEADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000423189743 387972813 /nfs/dbraw/zinc/97/28/13/387972813.db2.gz RJDJLUBKTACGKL-AAEUAGOBSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000423189744 387973071 /nfs/dbraw/zinc/97/30/71/387973071.db2.gz RJDJLUBKTACGKL-DGCLKSJQSA-N 1 3 228.355 2.246 20 0 BEADHO C[C@H](c1ccc(Cl)cc1)[C@H](C)NCC[NH3+] ZINC000423190173 387976149 /nfs/dbraw/zinc/97/61/49/387976149.db2.gz SBTXYYAFDGZOHH-UWVGGRQHSA-N 1 3 226.751 2.380 20 0 BEADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC[NH3+] ZINC000423193442 387977416 /nfs/dbraw/zinc/97/74/16/387977416.db2.gz WLMSSTFOBLLGLW-VIFPVBQESA-N 1 3 246.276 2.185 20 0 BEADHO CC(C)=CCC[C@H](C)N[C@@H]1CCC[NH2+]C1 ZINC000423192142 387977864 /nfs/dbraw/zinc/97/78/64/387977864.db2.gz PNYDHRXVCVLODA-QWHCGFSZSA-N 1 3 210.365 2.463 20 0 BEADHO CCCC[C@H](C)[C@H](C)[NH2+]CCCNC ZINC000423201439 387987541 /nfs/dbraw/zinc/98/75/41/387987541.db2.gz ORJRCERJMKJQOX-RYUDHWBXSA-N 1 3 200.370 2.400 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCNC ZINC000423201624 387988339 /nfs/dbraw/zinc/98/83/39/387988339.db2.gz PFNCVMVJSMDBDX-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](C)C[N@H+](CC)[C@H]1CCCNCC1 ZINC000251798060 135078309 /nfs/dbraw/zinc/07/83/09/135078309.db2.gz KHIXURKDGLDEJI-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)C[N@@H+](CC)[C@H]1CCCNCC1 ZINC000251798060 135078311 /nfs/dbraw/zinc/07/83/11/135078311.db2.gz KHIXURKDGLDEJI-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423208367 387992871 /nfs/dbraw/zinc/99/28/71/387992871.db2.gz HTRPWSVCKICAHC-XQQFMLRXSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369727 387993577 /nfs/dbraw/zinc/99/35/77/387993577.db2.gz CFXQFNJODNOIHF-DOERSZECSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)[C@H]1CCCNC1 ZINC000423212320 387995244 /nfs/dbraw/zinc/99/52/44/387995244.db2.gz ICEQGSGEUVWYSR-KVSVUVNWSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@@H](NCCC[NH3+])c1cccc(OC)c1 ZINC000423196017 387982247 /nfs/dbraw/zinc/98/22/47/387982247.db2.gz UHZGTQLKENWQQA-CYBMUJFWSA-N 1 3 222.332 2.085 20 0 BEADHO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@@H]1CCCNC1 ZINC000423212707 387995757 /nfs/dbraw/zinc/99/57/57/387995757.db2.gz MCPMCXJWYBQNBR-MRVWCRGKSA-N 1 3 222.376 2.154 20 0 BEADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCNC ZINC000423199119 387985994 /nfs/dbraw/zinc/98/59/94/387985994.db2.gz JCLPXYJJCYKJJV-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO CCCCO[C@@H]1C[C@H](NCCC[NH2+]C)C1(C)C ZINC000423200345 387986055 /nfs/dbraw/zinc/98/60/55/387986055.db2.gz LXVJLUUHBZJCRI-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO CNCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000423200397 387986382 /nfs/dbraw/zinc/98/63/82/387986382.db2.gz MDVAJUKAVDMYQJ-CYBMUJFWSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 ZINC000423215281 387997355 /nfs/dbraw/zinc/99/73/55/387997355.db2.gz MVYLCEYVQKNHOP-DRZSPHRISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@@H]1C[C@H]1C ZINC000423215937 387997687 /nfs/dbraw/zinc/99/76/87/387997687.db2.gz NUWIJEVQRSGBFO-KSTCHIGDSA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@@H]1C[C@@H]1C ZINC000423215939 387998420 /nfs/dbraw/zinc/99/84/20/387998420.db2.gz NUWIJEVQRSGBFO-MRTXSQPYSA-N 1 3 224.392 2.399 20 0 BEADHO CC(C)CC[C@@H]([NH2+][C@@H]1CCNC1)C1CC1 ZINC000423216996 387998943 /nfs/dbraw/zinc/99/89/43/387998943.db2.gz RCAGKLJZFRCENM-CHWSQXEVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC12CCC2)[C@H]1CCCNC1 ZINC000423221093 388001906 /nfs/dbraw/zinc/00/19/06/388001906.db2.gz WFNAUWOCNFVBDM-AVGNSLFASA-N 1 3 222.376 2.297 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424382236 388001985 /nfs/dbraw/zinc/00/19/85/388001985.db2.gz RXIWRTXCSBYYOH-ZOBORPQBSA-N 1 3 222.376 2.140 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423222635 388003840 /nfs/dbraw/zinc/00/38/40/388003840.db2.gz BXQZYKYFDAJPDR-YDHLFZDLSA-N 1 3 247.386 2.435 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccncc1 ZINC000453182893 388004303 /nfs/dbraw/zinc/00/43/03/388004303.db2.gz SRHPFTUUMXCDGC-HNNXBMFYSA-N 1 3 245.370 2.384 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423222632 388004388 /nfs/dbraw/zinc/00/43/88/388004388.db2.gz BXQZYKYFDAJPDR-GUTXKFCHSA-N 1 3 247.386 2.435 20 0 BEADHO Cc1cccc2c1CC[C@@H]2NCC[C@H](C)[NH3+] ZINC000423223413 388005838 /nfs/dbraw/zinc/00/58/38/388005838.db2.gz GJZZWAJRBRAWQS-FZMZJTMJSA-N 1 3 218.344 2.309 20 0 BEADHO Cc1nc([C@@H](C)NCC[C@H]2CC[NH2+]C2)cs1 ZINC000423240725 388023905 /nfs/dbraw/zinc/02/39/05/388023905.db2.gz CRDWUFCCAZXSQE-MWLCHTKSSA-N 1 3 239.388 2.102 20 0 BEADHO C[NH2+]CCN[C@H]1CC[C@H](CCC(C)C)C1 ZINC000423240999 388024257 /nfs/dbraw/zinc/02/42/57/388024257.db2.gz HPARBXCEGDGTJI-STQMWFEESA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000423240050 388024448 /nfs/dbraw/zinc/02/44/48/388024448.db2.gz GXPISTKSAPNJLK-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCCC12CCCC2 ZINC000423242152 388024608 /nfs/dbraw/zinc/02/46/08/388024608.db2.gz VJWJQRHXBAQVCB-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CO[C@H](c1ccccc1)[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423227205 388011354 /nfs/dbraw/zinc/01/13/54/388011354.db2.gz UVNZJBCRKUMVQD-SCRDCRAPSA-N 1 3 236.359 2.090 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000423228026 388013790 /nfs/dbraw/zinc/01/37/90/388013790.db2.gz XXXVTZZCIUVHID-RYUDHWBXSA-N 1 3 210.365 2.426 20 0 BEADHO CC[NH2+]CCN[C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000423234885 388018303 /nfs/dbraw/zinc/01/83/03/388018303.db2.gz MMEHYDNGAZFZOG-FRRDWIJNSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCN[C@H]1CCC[C@H]1CCCF ZINC000423234164 388018770 /nfs/dbraw/zinc/01/87/70/388018770.db2.gz LEIBLOQNITXRID-RYUDHWBXSA-N 1 3 216.344 2.104 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423239575 388023196 /nfs/dbraw/zinc/02/31/96/388023196.db2.gz SHILLKFPUJWPMD-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423239575 388023199 /nfs/dbraw/zinc/02/31/99/388023199.db2.gz SHILLKFPUJWPMD-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO C[NH2+]CCN[C@H]1CCCC12CCCCC2 ZINC000423251584 388032823 /nfs/dbraw/zinc/03/28/23/388032823.db2.gz WEBKWWAMEZFDDQ-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000423266129 388044676 /nfs/dbraw/zinc/04/46/76/388044676.db2.gz CWQPXDZAIASFHS-NWDGAFQWSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cccs1 ZINC000423264270 388042830 /nfs/dbraw/zinc/04/28/30/388042830.db2.gz PSELINBPAPZJCZ-UWVGGRQHSA-N 1 3 212.362 2.382 20 0 BEADHO CC(C)O[C@@H]1C[C@H](NC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000423263342 388042929 /nfs/dbraw/zinc/04/29/29/388042929.db2.gz AZMOFQPZXHWVTA-FRRDWIJNSA-N 1 3 242.407 2.151 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423245960 388028581 /nfs/dbraw/zinc/02/85/81/388028581.db2.gz YZJSTHJMJJBSPV-RWMBFGLXSA-N 1 3 228.355 2.246 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423245960 388028583 /nfs/dbraw/zinc/02/85/83/388028583.db2.gz YZJSTHJMJJBSPV-RWMBFGLXSA-N 1 3 228.355 2.246 20 0 BEADHO Cc1ccnc([C@H](C)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000423247269 388030818 /nfs/dbraw/zinc/03/08/18/388030818.db2.gz KYBWZXBNXYKPEO-STQMWFEESA-N 1 3 233.359 2.040 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000423273275 388053344 /nfs/dbraw/zinc/05/33/44/388053344.db2.gz KNOLHKKIHJPQJX-TUAOUCFPSA-N 1 3 212.381 2.256 20 0 BEADHO CNC[C@H](C)C[NH2+]C1CCc2ccccc2CC1 ZINC000423277287 388058869 /nfs/dbraw/zinc/05/88/69/388058869.db2.gz PQCVPESGSMROGA-ZDUSSCGKSA-N 1 3 246.398 2.379 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CCCC12CCC2 ZINC000423278848 388060413 /nfs/dbraw/zinc/06/04/13/388060413.db2.gz RRVRPTFNQCKTRO-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000423280611 388062257 /nfs/dbraw/zinc/06/22/57/388062257.db2.gz UXMUPOCNCWJEAM-DRZSPHRISA-N 1 3 210.365 2.010 20 0 BEADHO CCC([NH3+])(CC)CN[C@H]1CCC12CCC2 ZINC000423281239 388063464 /nfs/dbraw/zinc/06/34/64/388063464.db2.gz BAFAAXVUGPLKPT-NSHDSACASA-N 1 3 210.365 2.426 20 0 BEADHO CCc1ccccc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000084204156 388073286 /nfs/dbraw/zinc/07/32/86/388073286.db2.gz BKOLLYXTMPGIGK-DOMZBBRYSA-N 1 3 232.371 2.418 20 0 BEADHO CC(C)([NH3+])CN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423287676 388073621 /nfs/dbraw/zinc/07/36/21/388073621.db2.gz NVAAYUCKNMYPAY-TZMCWYRMSA-N 1 3 247.386 2.435 20 0 BEADHO CCO[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C12CCCC2 ZINC000423289596 388074367 /nfs/dbraw/zinc/07/43/67/388074367.db2.gz XUQKDOFLRKUHPN-VXGBXAGGSA-N 1 3 240.391 2.051 20 0 BEADHO CCc1ccc(C[NH2+]C2CCNCC2)cc1 ZINC000084487057 388079153 /nfs/dbraw/zinc/07/91/53/388079153.db2.gz KNCCDIJULWENCY-UHFFFAOYSA-N 1 3 218.344 2.091 20 0 BEADHO Cc1ccsc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423298117 388079939 /nfs/dbraw/zinc/07/99/39/388079939.db2.gz NEYUSWNWBPGUGI-PSASIEDQSA-N 1 3 212.362 2.302 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000423297490 388080239 /nfs/dbraw/zinc/08/02/39/388080239.db2.gz KNBIJURYJRTRNM-RISCZKNCSA-N 1 3 236.359 2.331 20 0 BEADHO CCC[C@@H](NC[C@@H](C)C[NH3+])c1cccnc1 ZINC000423298432 388080303 /nfs/dbraw/zinc/08/03/03/388080303.db2.gz AACGURXOQKDCDV-WCQYABFASA-N 1 3 221.348 2.107 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423266962 388045399 /nfs/dbraw/zinc/04/53/99/388045399.db2.gz DMNAFMLJFLMRDR-RWMBFGLXSA-N 1 3 242.407 2.024 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000423267429 388046289 /nfs/dbraw/zinc/04/62/89/388046289.db2.gz DZEGAAHELRUIEK-HUBLWGQQSA-N 1 3 232.371 2.365 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000423269173 388047789 /nfs/dbraw/zinc/04/77/89/388047789.db2.gz GWEOJGNOYLZEJE-YVECIDJPSA-N 1 3 212.381 2.256 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453332241 388048971 /nfs/dbraw/zinc/04/89/71/388048971.db2.gz VTNFZKLMTDQAFK-TUCADOHPSA-N 1 3 222.376 2.415 20 0 BEADHO CC/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453332241 388048974 /nfs/dbraw/zinc/04/89/74/388048974.db2.gz VTNFZKLMTDQAFK-TUCADOHPSA-N 1 3 222.376 2.415 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCNC1 ZINC000423213880 388050057 /nfs/dbraw/zinc/05/00/57/388050057.db2.gz LVEJYLCQJPMURG-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO CC[N@@H+]1CC[C@H](NCCC(C)(F)F)[C@H](C)C1 ZINC000449354691 388179992 /nfs/dbraw/zinc/17/99/92/388179992.db2.gz QMSZPVNBDOJOGQ-MNOVXSKESA-N 1 3 234.334 2.352 20 0 BEADHO CC[N@H+]1CC[C@H](NCCC(C)(F)F)[C@H](C)C1 ZINC000449354691 388179993 /nfs/dbraw/zinc/17/99/93/388179993.db2.gz QMSZPVNBDOJOGQ-MNOVXSKESA-N 1 3 234.334 2.352 20 0 BEADHO C[C@H](Cc1ccoc1)NCC(C)(C)C[NH+](C)C ZINC000449060720 388137745 /nfs/dbraw/zinc/13/77/45/388137745.db2.gz GQECQTVYSMMBDH-GFCCVEGCSA-N 1 3 238.375 2.388 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@H](C)c1nccs1 ZINC000336662351 388260180 /nfs/dbraw/zinc/26/01/80/388260180.db2.gz CKAAWGCLKWEHFE-NXEZZACHSA-N 1 3 227.377 2.311 20 0 BEADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1nccs1 ZINC000336662363 388260203 /nfs/dbraw/zinc/26/02/03/388260203.db2.gz CKAAWGCLKWEHFE-VHSXEESVSA-N 1 3 227.377 2.311 20 0 BEADHO C[C@@H](CC1CCCC1)[NH2+]CCOCCN(C)C ZINC000572808754 388378059 /nfs/dbraw/zinc/37/80/59/388378059.db2.gz BRXJOGRIECNRNU-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300799604 388395254 /nfs/dbraw/zinc/39/52/54/388395254.db2.gz CTRMBHOSIKMXJO-VWYCJHECSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000300799604 388395256 /nfs/dbraw/zinc/39/52/56/388395256.db2.gz CTRMBHOSIKMXJO-VWYCJHECSA-N 1 3 232.318 2.091 20 0 BEADHO CCC(C)(C)OCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000308550695 388442501 /nfs/dbraw/zinc/44/25/01/388442501.db2.gz WONAKGMROFODTE-CHWSQXEVSA-N 1 3 242.407 2.264 20 0 BEADHO CCC(C)(C)OCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000308550695 388442503 /nfs/dbraw/zinc/44/25/03/388442503.db2.gz WONAKGMROFODTE-CHWSQXEVSA-N 1 3 242.407 2.264 20 0 BEADHO Cc1cccnc1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000405034070 388449597 /nfs/dbraw/zinc/44/95/97/388449597.db2.gz QHEGYZKHVJBSRS-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccnc1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000405034070 388449599 /nfs/dbraw/zinc/44/95/99/388449599.db2.gz QHEGYZKHVJBSRS-HIFRSBDPSA-N 1 3 247.386 2.040 20 0 BEADHO CC(C)CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397307829 388458082 /nfs/dbraw/zinc/45/80/82/388458082.db2.gz HPVQPSZYMPRVBA-UPJWGTAASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)CC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397307829 388458084 /nfs/dbraw/zinc/45/80/84/388458084.db2.gz HPVQPSZYMPRVBA-UPJWGTAASA-N 1 3 212.381 2.338 20 0 BEADHO CCc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336673904 388461182 /nfs/dbraw/zinc/46/11/82/388461182.db2.gz OVTNHVDXOIUFED-VXGBXAGGSA-N 1 3 220.360 2.494 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCc3c2cccc3O)C1 ZINC000573107551 388421069 /nfs/dbraw/zinc/42/10/69/388421069.db2.gz XRUMUZVHYPKKKG-UHIISALHSA-N 1 3 246.354 2.239 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000070464822 388436908 /nfs/dbraw/zinc/43/69/08/388436908.db2.gz FOZODTOOQCJPOB-ZDUSSCGKSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1csc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000344647029 388508871 /nfs/dbraw/zinc/50/88/71/388508871.db2.gz WRUFZZUWJUCIIE-JQWIXIFHSA-N 1 3 224.373 2.274 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCNC1 ZINC000398043902 388516091 /nfs/dbraw/zinc/51/60/91/388516091.db2.gz AESVLYRUNXIUIZ-AAEUAGOBSA-N 1 3 210.365 2.154 20 0 BEADHO CCc1ccc(CN[C@@H](C)CC[NH3+])s1 ZINC000220498367 388604464 /nfs/dbraw/zinc/60/44/64/388604464.db2.gz OESHLSUCDGOKDJ-VIFPVBQESA-N 1 3 212.362 2.137 20 0 BEADHO CCc1ccc(CN[C@H](C)CC[NH3+])s1 ZINC000220498438 388605241 /nfs/dbraw/zinc/60/52/41/388605241.db2.gz OESHLSUCDGOKDJ-SECBINFHSA-N 1 3 212.362 2.137 20 0 BEADHO CC[C@@H]1CC[N@H+](CCCN(CC)CC)C1 ZINC000191806945 388670548 /nfs/dbraw/zinc/67/05/48/388670548.db2.gz DEMSMHYOZLQUGP-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CC[C@@H]1CC[N@@H+](CCCN(CC)CC)C1 ZINC000191806945 388670551 /nfs/dbraw/zinc/67/05/51/388670551.db2.gz DEMSMHYOZLQUGP-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO CC[C@@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000191806945 388670552 /nfs/dbraw/zinc/67/05/52/388670552.db2.gz DEMSMHYOZLQUGP-CYBMUJFWSA-N 1 3 212.381 2.450 20 0 BEADHO C[C@@H](CC1CC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530178831 388621158 /nfs/dbraw/zinc/62/11/58/388621158.db2.gz OKRLVJDNBWOOSB-CMPLNLGQSA-N 1 3 208.349 2.049 20 0 BEADHO C1CC2(C1)NCC[C@H]2[NH2+]C1CCCCC1 ZINC000530179234 388622114 /nfs/dbraw/zinc/62/21/14/388622114.db2.gz WIUCCMZOMURHBU-GFCCVEGCSA-N 1 3 208.349 2.193 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCCN1 ZINC000530212360 388628154 /nfs/dbraw/zinc/62/81/54/388628154.db2.gz RGDGSGAFINLVGS-MEBFFEOJSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530213544 388629054 /nfs/dbraw/zinc/62/90/54/388629054.db2.gz ADYSOCJCPNFKBZ-WOPDTQHZSA-N 1 3 208.349 2.049 20 0 BEADHO CCC[N@H+](Cc1ccncc1C)C1CCNCC1 ZINC000530215730 388629598 /nfs/dbraw/zinc/62/95/98/388629598.db2.gz IHNIKPLEOBMLGG-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CCC[N@@H+](Cc1ccncc1C)C1CCNCC1 ZINC000530215730 388629599 /nfs/dbraw/zinc/62/95/99/388629599.db2.gz IHNIKPLEOBMLGG-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO C[C@H](NCC1CC=CC1)[C@H]1CCCC[NH2+]1 ZINC000530217415 388630936 /nfs/dbraw/zinc/63/09/36/388630936.db2.gz STIMROBEFVYYAC-WCQYABFASA-N 1 3 208.349 2.073 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000530219343 388631742 /nfs/dbraw/zinc/63/17/42/388631742.db2.gz LKMQZBZOSXVDCB-NEPJUHHUSA-N 1 3 208.349 2.049 20 0 BEADHO CC[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530219350 388632284 /nfs/dbraw/zinc/63/22/84/388632284.db2.gz LKMQZBZOSXVDCB-VXGBXAGGSA-N 1 3 208.349 2.049 20 0 BEADHO C1CC1C(N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530224179 388634395 /nfs/dbraw/zinc/63/43/95/388634395.db2.gz VCXSEPZVWWCAKA-GFCCVEGCSA-N 1 3 220.360 2.049 20 0 BEADHO C1CC1C([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530224179 388634397 /nfs/dbraw/zinc/63/43/97/388634397.db2.gz VCXSEPZVWWCAKA-GFCCVEGCSA-N 1 3 220.360 2.049 20 0 BEADHO COCCC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000530243526 388639020 /nfs/dbraw/zinc/63/90/20/388639020.db2.gz RUWCLBJIOJIYQD-CQSZACIVSA-N 1 3 242.407 2.108 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCSC)[C@@H](C)C1 ZINC000246789508 388651390 /nfs/dbraw/zinc/65/13/90/388651390.db2.gz MGALPTRIMWGCIE-NWDGAFQWSA-N 1 3 230.421 2.012 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCSC)[C@@H](C)C1 ZINC000246789508 388651391 /nfs/dbraw/zinc/65/13/91/388651391.db2.gz MGALPTRIMWGCIE-NWDGAFQWSA-N 1 3 230.421 2.012 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2CCC2)C1 ZINC000247137903 388659728 /nfs/dbraw/zinc/65/97/28/388659728.db2.gz SDQJFFZKWWRFBI-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000227609275 388753166 /nfs/dbraw/zinc/75/31/66/388753166.db2.gz MKZKTHNKXUDWNL-CYZMBNFOSA-N 1 3 210.365 2.247 20 0 BEADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248972691 388702069 /nfs/dbraw/zinc/70/20/69/388702069.db2.gz DKRNZHFQAXQCHV-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248972691 388702072 /nfs/dbraw/zinc/70/20/72/388702072.db2.gz DKRNZHFQAXQCHV-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CC[NH+](CC)CCCN1CC[C@@H](C)[C@H]1C ZINC000248972691 388702075 /nfs/dbraw/zinc/70/20/75/388702075.db2.gz DKRNZHFQAXQCHV-CHWSQXEVSA-N 1 3 212.381 2.449 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228988278 388778074 /nfs/dbraw/zinc/77/80/74/388778074.db2.gz ISLWBCJGLUPLAK-YPMHNXCESA-N 1 3 212.381 2.339 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228988278 388778079 /nfs/dbraw/zinc/77/80/79/388778079.db2.gz ISLWBCJGLUPLAK-YPMHNXCESA-N 1 3 212.381 2.339 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccoc1 ZINC000094868872 388874747 /nfs/dbraw/zinc/87/47/47/388874747.db2.gz JAJYPCRNVXSYEQ-RYUDHWBXSA-N 1 3 234.343 2.415 20 0 BEADHO C[C@@H](Cc1ccsc1)N[C@H](C[NH3+])C1CC1 ZINC000565762734 388967357 /nfs/dbraw/zinc/96/73/57/388967357.db2.gz FLKNQOKCUKQFPL-JOYOIKCWSA-N 1 3 224.373 2.006 20 0 BEADHO Cc1cc(F)ccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000565951147 388980260 /nfs/dbraw/zinc/98/02/60/388980260.db2.gz KRJKKJXFABFKHF-WDEREUQCSA-N 1 3 224.323 2.350 20 0 BEADHO CC[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000572574340 388982374 /nfs/dbraw/zinc/98/23/74/388982374.db2.gz HBLPQQOHERRNPY-DZGCQCFKSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000572574340 388982378 /nfs/dbraw/zinc/98/23/78/388982378.db2.gz HBLPQQOHERRNPY-DZGCQCFKSA-N 1 3 247.386 2.464 20 0 BEADHO Cc1ccsc1C[NH2+]CC1=CCN(C)CC1 ZINC000271792723 389025258 /nfs/dbraw/zinc/02/52/58/389025258.db2.gz HDPSFSKDZMLRBI-UHFFFAOYSA-N 1 3 236.384 2.408 20 0 BEADHO c1cc2c(o1)CCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000335500124 133868130 /nfs/dbraw/zinc/86/81/30/133868130.db2.gz MMPUFSHMHZTMHH-ZDUSSCGKSA-N 1 3 232.327 2.166 20 0 BEADHO C[C@H](F)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000352050003 134045918 /nfs/dbraw/zinc/04/59/18/134045918.db2.gz PHZKIIJNTKAAHR-NWDGAFQWSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@H](F)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352050003 134045919 /nfs/dbraw/zinc/04/59/19/134045919.db2.gz PHZKIIJNTKAAHR-NWDGAFQWSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@@H](F)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000352051354 134048095 /nfs/dbraw/zinc/04/80/95/134048095.db2.gz ZJQXEEBMTKIPAA-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@@H](F)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000352051354 134048096 /nfs/dbraw/zinc/04/80/96/134048096.db2.gz ZJQXEEBMTKIPAA-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO C([NH2+]C1CCCCCCC1)[C@H]1CCCN1 ZINC000216542603 134150169 /nfs/dbraw/zinc/15/01/69/134150169.db2.gz JLJWYIRLUWEXMV-CYBMUJFWSA-N 1 3 210.365 2.441 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000168520175 134225340 /nfs/dbraw/zinc/22/53/40/134225340.db2.gz CMCMKDNEIOXJQH-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000168520175 134225341 /nfs/dbraw/zinc/22/53/41/134225341.db2.gz CMCMKDNEIOXJQH-HHTDUIENSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000168702312 134246550 /nfs/dbraw/zinc/24/65/50/134246550.db2.gz XMAXGFPILDAGTE-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000217493378 134246987 /nfs/dbraw/zinc/24/69/87/134246987.db2.gz KLMUQWHZPDMFFJ-UKRRQHHQSA-N 1 3 230.355 2.487 20 0 BEADHO N[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000217493378 134246988 /nfs/dbraw/zinc/24/69/88/134246988.db2.gz KLMUQWHZPDMFFJ-UKRRQHHQSA-N 1 3 230.355 2.487 20 0 BEADHO Cc1ccc(C)c(CN[C@@H](C)CC[NH3+])c1 ZINC000220538753 134309828 /nfs/dbraw/zinc/30/98/28/134309828.db2.gz OYZJOALBAMBAQR-LBPRGKRZSA-N 1 3 206.333 2.130 20 0 BEADHO Cc1ccc(CN[C@@H](C)CC[NH3+])cc1Cl ZINC000220509759 134309868 /nfs/dbraw/zinc/30/98/68/134309868.db2.gz WNGYTTAGDNZALK-JTQLQIEISA-N 1 3 226.751 2.475 20 0 BEADHO CCCC[NH+]1CCC(NC2CC(OC)C2)CC1 ZINC000220900226 134314452 /nfs/dbraw/zinc/31/44/52/134314452.db2.gz KLEWWEXMGXDMBU-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000222174334 134330053 /nfs/dbraw/zinc/33/00/53/134330053.db2.gz OVMULWGSSVCFKN-NWDGAFQWSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000222174334 134330054 /nfs/dbraw/zinc/33/00/54/134330054.db2.gz OVMULWGSSVCFKN-NWDGAFQWSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000222174334 134330055 /nfs/dbraw/zinc/33/00/55/134330055.db2.gz OVMULWGSSVCFKN-NWDGAFQWSA-N 1 3 208.349 2.003 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000226744853 134370720 /nfs/dbraw/zinc/37/07/20/134370720.db2.gz RTPJOXBCXXWEAZ-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@H](C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540171 134382723 /nfs/dbraw/zinc/38/27/23/134382723.db2.gz UKTPNPCHGRIBIU-HONMWMINSA-N 1 3 234.343 2.003 20 0 BEADHO CC(C)C1CCC([N@H+](C)CCCN)CC1 ZINC000227745034 134392143 /nfs/dbraw/zinc/39/21/43/134392143.db2.gz MBLLRYUWJOJKIJ-UHFFFAOYSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)C1CCC([N@@H+](C)CCCN)CC1 ZINC000227745034 134392144 /nfs/dbraw/zinc/39/21/44/134392144.db2.gz MBLLRYUWJOJKIJ-UHFFFAOYSA-N 1 3 212.381 2.482 20 0 BEADHO CCOC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249128305 135034542 /nfs/dbraw/zinc/03/45/42/135034542.db2.gz RMQKLACBZCGNJY-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CCOC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249128305 135034544 /nfs/dbraw/zinc/03/45/44/135034544.db2.gz RMQKLACBZCGNJY-STQMWFEESA-N 1 3 240.391 2.018 20 0 BEADHO CCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249815540 135045886 /nfs/dbraw/zinc/04/58/86/135045886.db2.gz RQWSTZLWMOGRNF-STQMWFEESA-N 1 3 210.365 2.393 20 0 BEADHO CCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249815540 135045888 /nfs/dbraw/zinc/04/58/88/135045888.db2.gz RQWSTZLWMOGRNF-STQMWFEESA-N 1 3 210.365 2.393 20 0 BEADHO CCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000249815540 135045889 /nfs/dbraw/zinc/04/58/89/135045889.db2.gz RQWSTZLWMOGRNF-STQMWFEESA-N 1 3 210.365 2.393 20 0 BEADHO CC(C)OCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250577304 135053813 /nfs/dbraw/zinc/05/38/13/135053813.db2.gz FOPUAUSBUNVECE-KBPBESRZSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250577304 135053814 /nfs/dbraw/zinc/05/38/14/135053814.db2.gz FOPUAUSBUNVECE-KBPBESRZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]1C[N@H+](CC2CCCCC2)CC[C@H]1N ZINC000251706342 135074566 /nfs/dbraw/zinc/07/45/66/135074566.db2.gz JDTXEYQOJHLZCZ-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1N ZINC000251706342 135074568 /nfs/dbraw/zinc/07/45/68/135074568.db2.gz JDTXEYQOJHLZCZ-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CN(CC2CCCCC2)CC[C@H]1[NH3+] ZINC000251706342 135074569 /nfs/dbraw/zinc/07/45/69/135074569.db2.gz JDTXEYQOJHLZCZ-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CN(CCc1cccs1)C[C@H]1CCC[NH2+]C1 ZINC000086440969 135085314 /nfs/dbraw/zinc/08/53/14/135085314.db2.gz DTPKPYABQUVLLD-LBPRGKRZSA-N 1 3 238.400 2.222 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CS1 ZINC000252203613 135086800 /nfs/dbraw/zinc/08/68/00/135086800.db2.gz WTPMYMMZSMBWGU-MROQNXINSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CS1 ZINC000252203613 135086801 /nfs/dbraw/zinc/08/68/01/135086801.db2.gz WTPMYMMZSMBWGU-MROQNXINSA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000252215431 135088202 /nfs/dbraw/zinc/08/82/02/135088202.db2.gz XNDMLUZBOMACPW-VOAKCMCISA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000252513593 135092460 /nfs/dbraw/zinc/09/24/60/135092460.db2.gz ZMTKJJBHRHCCOM-ZOBORPQBSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1OCC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000252691062 135097399 /nfs/dbraw/zinc/09/73/99/135097399.db2.gz WUSWMRASACCZSY-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000252691062 135097401 /nfs/dbraw/zinc/09/74/01/135097401.db2.gz WUSWMRASACCZSY-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H]1OCC[C@@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000252691062 135097404 /nfs/dbraw/zinc/09/74/04/135097404.db2.gz WUSWMRASACCZSY-RDBSUJKOSA-N 1 3 240.391 2.018 20 0 BEADHO CC1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252733123 135104718 /nfs/dbraw/zinc/10/47/18/135104718.db2.gz YACIYMGCMGWNQR-KPFVRQRISA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252733123 135104719 /nfs/dbraw/zinc/10/47/19/135104719.db2.gz YACIYMGCMGWNQR-KPFVRQRISA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000252733123 135104720 /nfs/dbraw/zinc/10/47/20/135104720.db2.gz YACIYMGCMGWNQR-KPFVRQRISA-N 1 3 208.349 2.001 20 0 BEADHO Cc1ccsc1C[NH2+][C@H]1CCNC[C@H]1C ZINC000261531016 135108686 /nfs/dbraw/zinc/10/86/86/135108686.db2.gz DWXJUYNIXBLYCU-MNOVXSKESA-N 1 3 224.373 2.144 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CCC1 ZINC000252981503 135118486 /nfs/dbraw/zinc/11/84/86/135118486.db2.gz RKPYDSVNVOOOGP-DRZSPHRISA-N 1 3 210.365 2.282 20 0 BEADHO CC[C@H](O)CCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253020148 135119464 /nfs/dbraw/zinc/11/94/64/135119464.db2.gz JNZOXZPTWHZEHK-MCIONIFRSA-N 1 3 242.407 2.048 20 0 BEADHO Cc1ccsc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000087308685 135121720 /nfs/dbraw/zinc/12/17/20/135121720.db2.gz DCMLLIWHCXKKSE-MNOVXSKESA-N 1 3 224.373 2.416 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)CC1 ZINC000253128193 135122210 /nfs/dbraw/zinc/12/22/10/135122210.db2.gz MWAJVHMXEGSCOA-AVGNSLFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000253118332 135122399 /nfs/dbraw/zinc/12/23/99/135122399.db2.gz HAOOSEZGYOBHKQ-FDYHWXHSSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1CN ZINC000253207831 135124643 /nfs/dbraw/zinc/12/46/43/135124643.db2.gz HTQOJEGDNHYITG-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1CN ZINC000253207831 135124644 /nfs/dbraw/zinc/12/46/44/135124644.db2.gz HTQOJEGDNHYITG-WCQYABFASA-N 1 3 210.365 2.093 20 0 BEADHO Fc1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000257649100 135138571 /nfs/dbraw/zinc/13/85/71/135138571.db2.gz CTYMFEDBKJHAQA-UHFFFAOYSA-N 1 3 248.345 2.401 20 0 BEADHO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)CN)cc1C ZINC000259636916 135143832 /nfs/dbraw/zinc/14/38/32/135143832.db2.gz CLCACTYQLLOUFT-ZDUSSCGKSA-N 1 3 220.360 2.391 20 0 BEADHO Cc1cc(C)c(C[N@H+](C)[C@@H](C)CN)cc1C ZINC000259636916 135143834 /nfs/dbraw/zinc/14/38/34/135143834.db2.gz CLCACTYQLLOUFT-ZDUSSCGKSA-N 1 3 220.360 2.391 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261530649 135158051 /nfs/dbraw/zinc/15/80/51/135158051.db2.gz CYYRJSOLBOGOQU-MROQNXINSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000261530648 135158055 /nfs/dbraw/zinc/15/80/55/135158055.db2.gz CYYRJSOLBOGOQU-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCNC1)C1CCCC1 ZINC000087647313 135161354 /nfs/dbraw/zinc/16/13/54/135161354.db2.gz LYBKILNMIGMTHZ-RYUDHWBXSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000087682940 135164754 /nfs/dbraw/zinc/16/47/54/135164754.db2.gz MXKZNYGZJMQMJP-AVGNSLFASA-N 1 3 242.432 2.379 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CCCNC2)C1 ZINC000261534325 135166746 /nfs/dbraw/zinc/16/67/46/135166746.db2.gz PVNWYCUYEUDGIX-RDBSUJKOSA-N 1 3 224.392 2.402 20 0 BEADHO C[C@@H]1[C@H]([NH3+])CCN1CC1CCCCCC1 ZINC000261534855 135168439 /nfs/dbraw/zinc/16/84/39/135168439.db2.gz NFHFCLSXMCWUMF-DGCLKSJQSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCCNC2)C1 ZINC000261536748 135172362 /nfs/dbraw/zinc/17/23/62/135172362.db2.gz STWCNQFYYRDJCH-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCCNC2)C1 ZINC000261536748 135172364 /nfs/dbraw/zinc/17/23/64/135172364.db2.gz STWCNQFYYRDJCH-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000261538310 135175176 /nfs/dbraw/zinc/17/51/76/135175176.db2.gz XRHLLWRCHKVNGJ-AGIUHOORSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261538216 135175325 /nfs/dbraw/zinc/17/53/25/135175325.db2.gz XMNGFPRWBJKDGJ-LLVKDONJSA-N 1 3 206.333 2.383 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2(C)CCC2)C1 ZINC000261538372 135175582 /nfs/dbraw/zinc/17/55/82/135175582.db2.gz XWGFWHCZJIHZGQ-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2(C)CCC2)C1 ZINC000261538372 135175584 /nfs/dbraw/zinc/17/55/84/135175584.db2.gz XWGFWHCZJIHZGQ-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261538218 135175789 /nfs/dbraw/zinc/17/57/89/135175789.db2.gz XMNGFPRWBJKDGJ-NSHDSACASA-N 1 3 206.333 2.383 20 0 BEADHO C[C@H]1CNCC[C@H]1[NH2+]CC1CCCCC1 ZINC000261538481 135176373 /nfs/dbraw/zinc/17/63/73/135176373.db2.gz YGBVPRXODRERLQ-WCQYABFASA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](N)C2)cc1C ZINC000261539575 135177718 /nfs/dbraw/zinc/17/77/18/135177718.db2.gz AAVRBUQDCBTXEC-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](N)C2)cc1C ZINC000261539575 135177719 /nfs/dbraw/zinc/17/77/19/135177719.db2.gz AAVRBUQDCBTXEC-DZGCQCFKSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000261540970 135179906 /nfs/dbraw/zinc/17/99/06/135179906.db2.gz ASTKXPSEOHVVSF-UGFHNGPFSA-N 1 3 230.355 2.262 20 0 BEADHO C[N@H+](C[C@@H]1CCCNC1)C1(C)CCCC1 ZINC000261543091 135183779 /nfs/dbraw/zinc/18/37/79/135183779.db2.gz HKMQICMORIHXTI-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](C[C@@H]1CCCNC1)C1(C)CCCC1 ZINC000261543091 135183780 /nfs/dbraw/zinc/18/37/80/135183780.db2.gz HKMQICMORIHXTI-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCCNC1 ZINC000261548322 135186656 /nfs/dbraw/zinc/18/66/56/135186656.db2.gz NKKWLYVOQIBZHK-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCCNC1 ZINC000261548322 135186657 /nfs/dbraw/zinc/18/66/57/135186657.db2.gz NKKWLYVOQIBZHK-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO Cc1ncsc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000084149521 135188150 /nfs/dbraw/zinc/18/81/50/135188150.db2.gz BGQAIOORAWURKC-VIFPVBQESA-N 1 3 239.388 2.011 20 0 BEADHO C[C@@H]1CC[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)C1 ZINC000261552340 135191412 /nfs/dbraw/zinc/19/14/12/135191412.db2.gz RDFBAFBXKNMERM-JHJVBQTASA-N 1 3 210.365 2.106 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000084215373 135192325 /nfs/dbraw/zinc/19/23/25/135192325.db2.gz UZWDNUCEGSYSIH-WCQYABFASA-N 1 3 210.365 2.426 20 0 BEADHO C[C@@H](CN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000261553591 135192785 /nfs/dbraw/zinc/19/27/85/135192785.db2.gz OBNHSEOTJIGQMB-DZGCQCFKSA-N 1 3 232.371 2.461 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261556316 135196130 /nfs/dbraw/zinc/19/61/30/135196130.db2.gz BWSNHHYCPGYUKB-JYJNAYRXSA-N 1 3 244.382 2.473 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1c1ccnc2ccccc21 ZINC000261556768 135196876 /nfs/dbraw/zinc/19/68/76/135196876.db2.gz RAJLZYZSAUFQMG-JQWIXIFHSA-N 1 3 227.311 2.161 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@H](C)N ZINC000261558091 135198781 /nfs/dbraw/zinc/19/87/81/135198781.db2.gz SGHYVCKLMWNWEF-WDEREUQCSA-N 1 3 229.327 2.060 20 0 BEADHO CCc1ccc(C[NH2+][C@H]2CCNC[C@H]2C)cc1 ZINC000261558463 135199570 /nfs/dbraw/zinc/19/95/70/135199570.db2.gz SMDHRCZCNLZFJG-DOMZBBRYSA-N 1 3 232.371 2.337 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)[C@H](C)N ZINC000261562622 135204282 /nfs/dbraw/zinc/20/42/82/135204282.db2.gz BKWPCBZVHDPCPG-WDMOLILDSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000261562619 135204609 /nfs/dbraw/zinc/20/46/09/135204609.db2.gz BKWPCBZVHDPCPG-MJVIPROJSA-N 1 3 218.344 2.389 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](N)[C@H]2C)c1 ZINC000261570707 135213192 /nfs/dbraw/zinc/21/31/92/135213192.db2.gz HCOYWZSBPURHKL-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N)[C@H]2C)c1 ZINC000261570707 135213194 /nfs/dbraw/zinc/21/31/94/135213194.db2.gz HCOYWZSBPURHKL-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CCNC[C@H]2C)c1 ZINC000261571598 135214214 /nfs/dbraw/zinc/21/42/14/135214214.db2.gz HOQAGQXZIZVGDP-TZMCWYRMSA-N 1 3 218.344 2.083 20 0 BEADHO C1CCC2(C1)CCCC[C@H]2[NH2+][C@H]1CCNC1 ZINC000261576367 135217621 /nfs/dbraw/zinc/21/76/21/135217621.db2.gz KISVFLIPUCRRBP-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC[C@H]2C)[C@@H]1C ZINC000261579861 135220826 /nfs/dbraw/zinc/22/08/26/135220826.db2.gz MMOFBQOOYKBZPI-XGFWRYKXSA-N 1 3 224.392 2.399 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261583458 135224001 /nfs/dbraw/zinc/22/40/01/135224001.db2.gz RUAYTSLCBHWOSE-LSDHHAIUSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1cc(C)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261583187 135224468 /nfs/dbraw/zinc/22/44/68/135224468.db2.gz RQZSOLQXXCRMCT-XHSDSOJGSA-N 1 3 244.382 2.473 20 0 BEADHO Cc1ccc([C@@H]2CCCC[N@@H+]2CCN)cc1 ZINC000261584820 135226314 /nfs/dbraw/zinc/22/63/14/135226314.db2.gz QAZFLUFAIPQSJB-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccc([C@@H]2CCCC[N@H+]2CCN)cc1 ZINC000261584820 135226317 /nfs/dbraw/zinc/22/63/17/135226317.db2.gz QAZFLUFAIPQSJB-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000261588009 135229166 /nfs/dbraw/zinc/22/91/66/135229166.db2.gz VIIINMWDRAYCST-AWEZNQCLSA-N 1 3 248.370 2.043 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000261592952 135233421 /nfs/dbraw/zinc/23/34/21/135233421.db2.gz WKDRGNXIDPLEGJ-ZOBORPQBSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CC[N@H+](CCC2CCCC2)C[C@H]1CN ZINC000261599727 135237762 /nfs/dbraw/zinc/23/77/62/135237762.db2.gz ZZCHRKGNHGFAAW-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1CN ZINC000261599727 135237764 /nfs/dbraw/zinc/23/77/64/135237764.db2.gz ZZCHRKGNHGFAAW-TZMCWYRMSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@H](CN1CC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000261652306 135242537 /nfs/dbraw/zinc/24/25/37/135242537.db2.gz BCXWNZFTRRUMCB-VXGBXAGGSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](CN)C1)c1ccc(F)cc1 ZINC000261652306 135242539 /nfs/dbraw/zinc/24/25/39/135242539.db2.gz BCXWNZFTRRUMCB-VXGBXAGGSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](CN)C1)c1ccc(F)cc1 ZINC000261652306 135242541 /nfs/dbraw/zinc/24/25/41/135242541.db2.gz BCXWNZFTRRUMCB-VXGBXAGGSA-N 1 3 236.334 2.210 20 0 BEADHO C[C@@H]1CC[C@]2(CCN(C[C@@]3(C)CC[NH2+]C3)C2)C1 ZINC000261742110 135248907 /nfs/dbraw/zinc/24/89/07/135248907.db2.gz IPYBQJWJXJRRKF-ILXRZTDVSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)(N)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000261792183 135253292 /nfs/dbraw/zinc/25/32/92/135253292.db2.gz GFGWLQOMAOOLHK-HNNXBMFYSA-N 1 3 232.371 2.387 20 0 BEADHO CC(C)(N)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000261792183 135253293 /nfs/dbraw/zinc/25/32/93/135253293.db2.gz GFGWLQOMAOOLHK-HNNXBMFYSA-N 1 3 232.371 2.387 20 0 BEADHO [NH3+]C[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC000078793931 135395598 /nfs/dbraw/zinc/39/55/98/135395598.db2.gz KJKXIHGVGYADEX-CQSZACIVSA-N 1 3 244.382 2.346 20 0 BEADHO Cc1cnccc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000334455338 135417921 /nfs/dbraw/zinc/41/79/21/135417921.db2.gz OCOSGPUQOJNGBN-KBPBESRZSA-N 1 3 245.370 2.453 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000084221219 135468482 /nfs/dbraw/zinc/46/84/82/135468482.db2.gz NOGGAAPXNSETRA-RWMBFGLXSA-N 1 3 208.349 2.060 20 0 BEADHO Cc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000335025421 135866912 /nfs/dbraw/zinc/86/69/12/135866912.db2.gz RREWFJMJOPTARB-ZFWWWQNUSA-N 1 3 232.371 2.473 20 0 BEADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CC23CC3)CC1 ZINC000335281843 136000233 /nfs/dbraw/zinc/00/02/33/136000233.db2.gz ZPAMCAPWMQZCGW-GFCCVEGCSA-N 1 3 222.376 2.391 20 0 BEADHO CC(C)(C)N1CCC([NH2+][C@H]2C[C@H]2C(F)F)CC1 ZINC000348296407 136062949 /nfs/dbraw/zinc/06/29/49/136062949.db2.gz VZYNNEHGCJUVJV-MNOVXSKESA-N 1 3 246.345 2.493 20 0 BEADHO CC(C)(C)N1CCC([NH2+][C@H]2C[C@@H]2C(F)F)CC1 ZINC000348296408 136062980 /nfs/dbraw/zinc/06/29/80/136062980.db2.gz VZYNNEHGCJUVJV-QWRGUYRKSA-N 1 3 246.345 2.493 20 0 BEADHO CC1(F)CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000335373835 136084600 /nfs/dbraw/zinc/08/46/00/136084600.db2.gz OHBCBYZXPSWXOA-IGJPJIBNSA-N 1 3 226.339 2.093 20 0 BEADHO CC1(F)CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000335373835 136084601 /nfs/dbraw/zinc/08/46/01/136084601.db2.gz OHBCBYZXPSWXOA-IGJPJIBNSA-N 1 3 226.339 2.093 20 0 BEADHO Cc1cc(N)cc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000335363900 136094926 /nfs/dbraw/zinc/09/49/26/136094926.db2.gz UAJUFNFNOKJHHD-IUODEOHRSA-N 1 3 247.386 2.055 20 0 BEADHO c1cc(N2CCC([NH2+][C@H]3CC34CC4)CC2)ccn1 ZINC000335548315 136097286 /nfs/dbraw/zinc/09/72/86/136097286.db2.gz ABZISZSJTOYESG-AWEZNQCLSA-N 1 3 243.354 2.193 20 0 BEADHO Cc1ccsc1[C@@H](C)[NH2+]C1CCNCC1 ZINC000335567012 136107798 /nfs/dbraw/zinc/10/77/98/136107798.db2.gz IBDXBTWKFJIHIF-SNVBAGLBSA-N 1 3 224.373 2.459 20 0 BEADHO c1ccc2c(c1)NCCC[C@@H]2[NH2+]C1CCNCC1 ZINC000335568919 136108847 /nfs/dbraw/zinc/10/88/47/136108847.db2.gz OPNIDFANBOGZSY-HNNXBMFYSA-N 1 3 245.370 2.275 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)N ZINC000335599086 136113752 /nfs/dbraw/zinc/11/37/52/136113752.db2.gz NCVNKOCNDLRPLD-MFKMUULPSA-N 1 3 218.344 2.247 20 0 BEADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)N ZINC000335599085 136113763 /nfs/dbraw/zinc/11/37/63/136113763.db2.gz NCVNKOCNDLRPLD-GXFFZTMASA-N 1 3 218.344 2.247 20 0 BEADHO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)N ZINC000335599083 136113915 /nfs/dbraw/zinc/11/39/15/136113915.db2.gz NCVNKOCNDLRPLD-GWCFXTLKSA-N 1 3 218.344 2.247 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2CCCN[C@@H](C)C2)c1 ZINC000085610056 1172758651 /nfs/dbraw/zinc/75/86/51/1172758651.db2.gz VODXWMYWLUTMTM-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2CCCN[C@@H](C)C2)c1 ZINC000085610056 1172758659 /nfs/dbraw/zinc/75/86/59/1172758659.db2.gz VODXWMYWLUTMTM-AWEZNQCLSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@H]1C[C@H]([NH3+])CN1CCC(C)(C)C1CC1 ZINC000405983529 397778339 /nfs/dbraw/zinc/77/83/39/397778339.db2.gz BJERUDWDKUNUDD-JQWIXIFHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657549 398006035 /nfs/dbraw/zinc/00/60/35/398006035.db2.gz HQYGHMLFZCKXMH-VRKREXBASA-N 1 3 244.382 2.459 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000414657549 398006038 /nfs/dbraw/zinc/00/60/38/398006038.db2.gz HQYGHMLFZCKXMH-VRKREXBASA-N 1 3 244.382 2.459 20 0 BEADHO Cc1ccc(C[C@H]2CCC[N@@H+]2CCCN)cc1 ZINC000414689039 398018634 /nfs/dbraw/zinc/01/86/34/398018634.db2.gz FGWUNUOTIKVYEF-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccc(C[C@H]2CCC[N@H+]2CCCN)cc1 ZINC000414689039 398018638 /nfs/dbraw/zinc/01/86/38/398018638.db2.gz FGWUNUOTIKVYEF-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO Cc1ccc(C[C@H]2CCCN2CCC[NH3+])cc1 ZINC000414689039 398018641 /nfs/dbraw/zinc/01/86/41/398018641.db2.gz FGWUNUOTIKVYEF-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO CCc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000234158921 398023120 /nfs/dbraw/zinc/02/31/20/398023120.db2.gz NMSLLMBMAWXMKV-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccc(C[N@@H+]2CC[C@](C)(CN)C2)cc1 ZINC000234158921 398023124 /nfs/dbraw/zinc/02/31/24/398023124.db2.gz NMSLLMBMAWXMKV-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccc(C[N@H+]2CC[C@](C)(CN)C2)cc1 ZINC000234158921 398023126 /nfs/dbraw/zinc/02/31/26/398023126.db2.gz NMSLLMBMAWXMKV-OAHLLOKOSA-N 1 3 232.371 2.420 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)C(C)C ZINC000336732676 398024944 /nfs/dbraw/zinc/02/49/44/398024944.db2.gz LWAHTIHKOJXWQW-ZDUSSCGKSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@H](CC1CC1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414817727 398042425 /nfs/dbraw/zinc/04/24/25/398042425.db2.gz BOJPSUKBSUYLNT-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](Cc1cccs1)N[C@@H](C)[C@H](C)[NH3+] ZINC000389297143 398068694 /nfs/dbraw/zinc/06/86/94/398068694.db2.gz GZLDWBYAPUDLEI-UTLUCORTSA-N 1 3 212.362 2.004 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](N)c3ccccc32)[C@@H](C)O1 ZINC000384635433 398100493 /nfs/dbraw/zinc/10/04/93/398100493.db2.gz RWCBCLWIBJTKBP-QRZGQJJPSA-N 1 3 246.354 2.287 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)s1 ZINC000335007920 398125015 /nfs/dbraw/zinc/12/50/15/398125015.db2.gz BPXFOURJFLNLPS-GHMZBOCLSA-N 1 3 210.346 2.026 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001647978158 1172785660 /nfs/dbraw/zinc/78/56/60/1172785660.db2.gz YNZAYMWZQSUWNM-MCIONIFRSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](c1ccccn1)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001647978158 1172785664 /nfs/dbraw/zinc/78/56/64/1172785664.db2.gz YNZAYMWZQSUWNM-MCIONIFRSA-N 1 3 245.370 2.026 20 0 BEADHO C[C@H](CCC1CC1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000398111059 322864451 /nfs/dbraw/zinc/86/44/51/322864451.db2.gz XETCOIZCYZINFU-DMDPSCGWSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)Oc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000258753306 322877089 /nfs/dbraw/zinc/87/70/89/322877089.db2.gz MGXKBIKGKWOSPQ-GFCCVEGCSA-N 1 3 236.359 2.158 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000392262188 487535896 /nfs/dbraw/zinc/53/58/96/487535896.db2.gz IVJMFMAPYMNJAY-RDBSUJKOSA-N 1 3 220.360 2.027 20 0 BEADHO FC1(F)CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000259441221 322881920 /nfs/dbraw/zinc/88/19/20/322881920.db2.gz JVESYGZHYTVPTN-LLVKDONJSA-N 1 3 232.318 2.107 20 0 BEADHO CC(C)OC[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000337337568 167254702 /nfs/dbraw/zinc/25/47/02/167254702.db2.gz MZNRRAAMIQVYAV-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000337337568 167254705 /nfs/dbraw/zinc/25/47/05/167254705.db2.gz MZNRRAAMIQVYAV-UONOGXRCSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)OC[C@H](C)NCCC[NH+]1CCCCC1 ZINC000337344830 167263012 /nfs/dbraw/zinc/26/30/12/167263012.db2.gz ULTLOAQFPMQMCY-AWEZNQCLSA-N 1 3 242.407 2.266 20 0 BEADHO COCC[C@@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000531780036 487601207 /nfs/dbraw/zinc/60/12/07/487601207.db2.gz ZEBCUCWWHIPQQA-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO COCC[C@@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000531780036 487601211 /nfs/dbraw/zinc/60/12/11/487601211.db2.gz ZEBCUCWWHIPQQA-ZIAGYGMSSA-N 1 3 242.407 2.218 20 0 BEADHO [NH3+]CCC1CCN(CCOc2ccccc2)CC1 ZINC000043458251 487603455 /nfs/dbraw/zinc/60/34/55/487603455.db2.gz MWXZEEVGKCTRRH-UHFFFAOYSA-N 1 3 248.370 2.126 20 0 BEADHO CC(C)SCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368312760 167326588 /nfs/dbraw/zinc/32/65/88/167326588.db2.gz AMGPWAZNQFIGRV-CYBMUJFWSA-N 1 3 242.432 2.156 20 0 BEADHO CC(C)SCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368312760 167326591 /nfs/dbraw/zinc/32/65/91/167326591.db2.gz AMGPWAZNQFIGRV-CYBMUJFWSA-N 1 3 242.432 2.156 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662244085 409533263 /nfs/dbraw/zinc/53/32/63/409533263.db2.gz GLQCSASNHIOFRR-YHQUGGNUSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662244085 409533272 /nfs/dbraw/zinc/53/32/72/409533272.db2.gz GLQCSASNHIOFRR-YHQUGGNUSA-N 1 3 222.376 2.092 20 0 BEADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CC[C@@H](CN)C1 ZINC000662247741 409549213 /nfs/dbraw/zinc/54/92/13/409549213.db2.gz ZOBYZJRQMOZNMJ-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@H](CN)C1 ZINC000662247741 409549217 /nfs/dbraw/zinc/54/92/17/409549217.db2.gz ZOBYZJRQMOZNMJ-QWHCGFSZSA-N 1 3 224.392 2.483 20 0 BEADHO CC[C@@H]1CN(CCC=C(C)C)CC[C@@H]1[NH3+] ZINC000662269673 409572130 /nfs/dbraw/zinc/57/21/30/409572130.db2.gz CVFFTEVARRAWNN-OLZOCXBDSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@@H]1C[N@H+](CCC=C(C)C)CC[C@@H]1N ZINC000662269673 409572140 /nfs/dbraw/zinc/57/21/40/409572140.db2.gz CVFFTEVARRAWNN-OLZOCXBDSA-N 1 3 210.365 2.402 20 0 BEADHO CC[C@@H]1C[N@@H+](CCC=C(C)C)CC[C@@H]1N ZINC000662269673 409572146 /nfs/dbraw/zinc/57/21/46/409572146.db2.gz CVFFTEVARRAWNN-OLZOCXBDSA-N 1 3 210.365 2.402 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272612 409579118 /nfs/dbraw/zinc/57/91/18/409579118.db2.gz GXRCAYTYSXGQPE-CRWXNKLISA-N 1 3 222.376 2.236 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662272612 409579121 /nfs/dbraw/zinc/57/91/21/409579121.db2.gz GXRCAYTYSXGQPE-CRWXNKLISA-N 1 3 222.376 2.236 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070344704 410015319 /nfs/dbraw/zinc/01/53/19/410015319.db2.gz ZNSWEGPOGDPZKB-CYBMUJFWSA-N 1 3 242.407 2.266 20 0 BEADHO CC1(C[NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663343770 410150371 /nfs/dbraw/zinc/15/03/71/410150371.db2.gz FAUITJXSTHSYOQ-CQSZACIVSA-N 1 3 236.403 2.498 20 0 BEADHO c1ccc([C@@H]2C[C@H]2C[NH2+]CC23CC(C2)CN3)cc1 ZINC000663499146 410275647 /nfs/dbraw/zinc/27/56/47/410275647.db2.gz AZCRMDVDHKPSJV-ZTTSNEECSA-N 1 3 242.366 2.132 20 0 BEADHO C[C@H](C[NH2+]CC12CC(C1)CN2)Cc1ccccc1 ZINC000663498969 410275921 /nfs/dbraw/zinc/27/59/21/410275921.db2.gz SOIVVRZAOGNNGU-JEYLPNPQSA-N 1 3 244.382 2.207 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1cccc2c1CCC2 ZINC000650703966 410335046 /nfs/dbraw/zinc/33/50/46/410335046.db2.gz ZSACVJSTRHYLRJ-OAHLLOKOSA-N 1 3 232.371 2.248 20 0 BEADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650703282 410335274 /nfs/dbraw/zinc/33/52/74/410335274.db2.gz SNYHTYYKMFNUCV-OCCSQVGLSA-N 1 3 244.382 2.344 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]Cc1cccc2c1CCC2 ZINC000650703965 410336592 /nfs/dbraw/zinc/33/65/92/410336592.db2.gz ZSACVJSTRHYLRJ-HNNXBMFYSA-N 1 3 232.371 2.248 20 0 BEADHO CC1([NH3+])CCN(CCc2ccccc2)CC1 ZINC000071520962 410340637 /nfs/dbraw/zinc/34/06/37/410340637.db2.gz SHDDDURCXQJUPJ-UHFFFAOYSA-N 1 3 218.344 2.042 20 0 BEADHO C[NH2+]Cc1ccccc1CNCc1ccncc1 ZINC000650718825 410356064 /nfs/dbraw/zinc/35/60/64/410356064.db2.gz XIHODDBKXXWFMS-UHFFFAOYSA-N 1 3 241.338 2.091 20 0 BEADHO C[C@@H](CCNc1ccnc2ccccc21)[NH+](C)C ZINC000664243854 410531737 /nfs/dbraw/zinc/53/17/37/410531737.db2.gz NBFKUBKLOPMMPY-LBPRGKRZSA-N 1 3 243.354 2.409 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCOc1ccccc1 ZINC000404784589 410571059 /nfs/dbraw/zinc/57/10/59/410571059.db2.gz PAFIFGKAVUOHQS-ZIAGYGMSSA-N 1 3 248.370 2.171 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000665297596 410819914 /nfs/dbraw/zinc/81/99/14/410819914.db2.gz IVZIECRZLJHAKU-UWVGGRQHSA-N 1 3 234.334 2.398 20 0 BEADHO CC(C)C[NH2+]CCCN1CCC(C)CC1 ZINC000020146244 167003617 /nfs/dbraw/zinc/00/36/17/167003617.db2.gz WIGNFLAVQBSYEV-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000033465879 167118671 /nfs/dbraw/zinc/11/86/71/167118671.db2.gz GXRGYJHLYLSOHJ-UHFFFAOYSA-N 1 3 236.359 2.125 20 0 BEADHO CC(C)OC[C@@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000337348557 167259742 /nfs/dbraw/zinc/25/97/42/167259742.db2.gz ZBPDHKAFFLOSDY-RDBSUJKOSA-N 1 3 242.407 2.262 20 0 BEADHO CC(C)OC[C@@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000337348557 167259743 /nfs/dbraw/zinc/25/97/43/167259743.db2.gz ZBPDHKAFFLOSDY-RDBSUJKOSA-N 1 3 242.407 2.262 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1CC1(C)C ZINC000397752825 410934450 /nfs/dbraw/zinc/93/44/50/410934450.db2.gz CGYKLESZRGZHJH-QJPTWQEYSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000126023570 167468449 /nfs/dbraw/zinc/46/84/49/167468449.db2.gz JHDLNWFINJHWCL-FRRDWIJNSA-N 1 3 210.365 2.153 20 0 BEADHO CCCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000309821301 410985266 /nfs/dbraw/zinc/98/52/66/410985266.db2.gz FPBXTOJLKMWFAD-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO CCCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000309821301 410985271 /nfs/dbraw/zinc/98/52/71/410985271.db2.gz FPBXTOJLKMWFAD-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO C[C@@H](C[NH2+]C[C@H]1CCCNC1)C(C)(C)C ZINC000162704176 487620007 /nfs/dbraw/zinc/62/00/07/487620007.db2.gz BRXXXKIFMIVWFQ-RYUDHWBXSA-N 1 3 212.381 2.258 20 0 BEADHO CN(C)CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000108245885 411143198 /nfs/dbraw/zinc/14/31/98/411143198.db2.gz KAPPABWWOXQETA-UHFFFAOYSA-N 1 3 246.354 2.004 20 0 BEADHO CC(C)CN(C)CCC[NH2+]C1CCSCC1 ZINC000651865980 411148066 /nfs/dbraw/zinc/14/80/66/411148066.db2.gz PFXCSMFADXJIDV-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)C[N@H+](C)CCCNC1CCSCC1 ZINC000651865980 411148067 /nfs/dbraw/zinc/14/80/67/411148067.db2.gz PFXCSMFADXJIDV-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CC(C)C[N@@H+](C)CCCNC1CCSCC1 ZINC000651865980 411148068 /nfs/dbraw/zinc/14/80/68/411148068.db2.gz PFXCSMFADXJIDV-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H](C)CN(C)C ZINC000652201029 411171187 /nfs/dbraw/zinc/17/11/87/411171187.db2.gz RFWRLBNXXAWREZ-CHWSQXEVSA-N 1 3 244.423 2.225 20 0 BEADHO CC[C@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652221212 411175317 /nfs/dbraw/zinc/17/53/17/411175317.db2.gz SZNJJQUVCVTSHM-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000652221935 411175743 /nfs/dbraw/zinc/17/57/43/411175743.db2.gz AIQRZAKXYBCGJH-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000652221935 411175745 /nfs/dbraw/zinc/17/57/45/411175745.db2.gz AIQRZAKXYBCGJH-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000652221935 411175746 /nfs/dbraw/zinc/17/57/46/411175746.db2.gz AIQRZAKXYBCGJH-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO COC[C@@H](NCCC[N@H+](C)CC(C)C)C(C)C ZINC000652221996 411175766 /nfs/dbraw/zinc/17/57/66/411175766.db2.gz BTPGNTAPPRKIQH-CQSZACIVSA-N 1 3 244.423 2.225 20 0 BEADHO COC[C@@H](NCCC[N@@H+](C)CC(C)C)C(C)C ZINC000652221996 411175767 /nfs/dbraw/zinc/17/57/67/411175767.db2.gz BTPGNTAPPRKIQH-CQSZACIVSA-N 1 3 244.423 2.225 20 0 BEADHO COC[C@@H]([NH2+]CCCN(C)CC(C)C)C(C)C ZINC000652221996 411175768 /nfs/dbraw/zinc/17/57/68/411175768.db2.gz BTPGNTAPPRKIQH-CQSZACIVSA-N 1 3 244.423 2.225 20 0 BEADHO CC(C)C[N@H+](C)CCCN[C@H](C)[C@@H]1CCCO1 ZINC000652221936 411176112 /nfs/dbraw/zinc/17/61/12/411176112.db2.gz AIQRZAKXYBCGJH-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)C[N@@H+](C)CCCN[C@H](C)[C@@H]1CCCO1 ZINC000652221936 411176116 /nfs/dbraw/zinc/17/61/16/411176116.db2.gz AIQRZAKXYBCGJH-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CN(C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000652221936 411176119 /nfs/dbraw/zinc/17/61/19/411176119.db2.gz AIQRZAKXYBCGJH-KGLIPLIRSA-N 1 3 242.407 2.121 20 0 BEADHO COC[C@@H](CC(C)(C)C)N[C@H]1CCC[NH2+]CC1 ZINC000656193732 411199860 /nfs/dbraw/zinc/19/98/60/411199860.db2.gz QSLCSFGWEBBFLN-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCNCC1 ZINC000656193732 411199862 /nfs/dbraw/zinc/19/98/62/411199862.db2.gz QSLCSFGWEBBFLN-QWHCGFSZSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](Cc1ccccn1)N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000656193319 411200413 /nfs/dbraw/zinc/20/04/13/411200413.db2.gz GCGODLMABMJLTI-UMVBOHGHSA-N 1 3 247.386 2.133 20 0 BEADHO CC[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCOCC1 ZINC000656197066 411201555 /nfs/dbraw/zinc/20/15/55/411201555.db2.gz BBEPFJGDOUUTOT-IHRRRGAJSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H]1CCC[N@H+](Cc2cccc(N)c2)[C@H]1CCN ZINC000652356110 411215141 /nfs/dbraw/zinc/21/51/41/411215141.db2.gz SCDOEEXXZNIFLV-WFASDCNBSA-N 1 3 247.386 2.218 20 0 BEADHO C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)[C@H]1CCN ZINC000652356110 411215143 /nfs/dbraw/zinc/21/51/43/411215143.db2.gz SCDOEEXXZNIFLV-WFASDCNBSA-N 1 3 247.386 2.218 20 0 BEADHO CNCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423202857 411238105 /nfs/dbraw/zinc/23/81/05/411238105.db2.gz RMUJJMUYOMBEJB-CYBMUJFWSA-N 1 3 210.365 2.154 20 0 BEADHO CCCCCN(C[C@@H]1CC[NH2+]C1)C(C)C ZINC000051889787 411285895 /nfs/dbraw/zinc/28/58/95/411285895.db2.gz RTIZFLQHVGZQDV-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CC1 ZINC000658236336 411306011 /nfs/dbraw/zinc/30/60/11/411306011.db2.gz INWQLCYMKMXVCQ-STQMWFEESA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)=CCC[NH+]1CCC(N(C)C)CC1 ZINC000659838634 411318109 /nfs/dbraw/zinc/31/81/09/411318109.db2.gz NPWBCYXITZVKLU-UHFFFAOYSA-N 1 3 210.365 2.369 20 0 BEADHO CCCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000309821303 411259790 /nfs/dbraw/zinc/25/97/90/411259790.db2.gz FPBXTOJLKMWFAD-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO CCCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000309821303 411259793 /nfs/dbraw/zinc/25/97/93/411259793.db2.gz FPBXTOJLKMWFAD-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO FC1(CN2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000656785868 411364869 /nfs/dbraw/zinc/36/48/69/411364869.db2.gz KHNNQJWDZMUNFR-ZDUSSCGKSA-N 1 3 240.366 2.200 20 0 BEADHO [NH3+]CCCN1CCCC2(CCCC2)CC1 ZINC000656787373 411366014 /nfs/dbraw/zinc/36/60/14/411366014.db2.gz JPKQBCQMCNHHQO-UHFFFAOYSA-N 1 3 210.365 2.382 20 0 BEADHO CCCC[C@H](COC)[NH2+]CC1(N)CCCC1 ZINC000656789573 411369561 /nfs/dbraw/zinc/36/95/61/411369561.db2.gz RDPRQSPSUOGHRC-GFCCVEGCSA-N 1 3 228.380 2.053 20 0 BEADHO CCCC[C@H](COC)NCC1([NH3+])CCCC1 ZINC000656789573 411369562 /nfs/dbraw/zinc/36/95/62/411369562.db2.gz RDPRQSPSUOGHRC-GFCCVEGCSA-N 1 3 228.380 2.053 20 0 BEADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661975811 411342515 /nfs/dbraw/zinc/34/25/15/411342515.db2.gz STSGPHTUINADRB-MELADBBJSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661975811 411342517 /nfs/dbraw/zinc/34/25/17/411342517.db2.gz STSGPHTUINADRB-MELADBBJSA-N 1 3 222.376 2.203 20 0 BEADHO C[NH2+]CC1CCN([C@H](C)c2ccncc2)CC1 ZINC000063158783 411344331 /nfs/dbraw/zinc/34/43/31/411344331.db2.gz UXGRLFWVVCFHTB-GFCCVEGCSA-N 1 3 233.359 2.074 20 0 BEADHO CC1CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000335604042 168162428 /nfs/dbraw/zinc/16/24/28/168162428.db2.gz HABRMRGGLQVHCS-UHFFFAOYSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@H]1CCCN(Cc2ccncc2)[C@H]1CC[NH3+] ZINC000404275699 411387866 /nfs/dbraw/zinc/38/78/66/411387866.db2.gz APSIPQYDZYADKL-JSGCOSHPSA-N 1 3 233.359 2.031 20 0 BEADHO C[C@H]1CCCN(Cc2ccncc2)[C@@H]1CC[NH3+] ZINC000404275698 411387520 /nfs/dbraw/zinc/38/75/20/411387520.db2.gz APSIPQYDZYADKL-GXTWGEPZSA-N 1 3 233.359 2.031 20 0 BEADHO C[C@@H]1CCCN(CCc2cccnc2)[C@@H]1CC[NH3+] ZINC000404278378 411387719 /nfs/dbraw/zinc/38/77/19/411387719.db2.gz CFKZIHIIIGFBKE-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CCC[N@H+](CCc2cccnc2)[C@@H]1CCN ZINC000404278378 411387723 /nfs/dbraw/zinc/38/77/23/411387723.db2.gz CFKZIHIIIGFBKE-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CCC[N@@H+](CCc2cccnc2)[C@@H]1CCN ZINC000404278378 411387725 /nfs/dbraw/zinc/38/77/25/411387725.db2.gz CFKZIHIIIGFBKE-UKRRQHHQSA-N 1 3 247.386 2.073 20 0 BEADHO CCc1cc(OC)ccc1C[NH2+]C[C@H](N)C1CC1 ZINC000414887845 411459806 /nfs/dbraw/zinc/45/98/06/411459806.db2.gz JCYFQXJCJKQBPV-HNNXBMFYSA-N 1 3 248.370 2.085 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCc2ccccc21 ZINC000404880771 411410780 /nfs/dbraw/zinc/41/07/80/411410780.db2.gz FVQYXAYFJZRMOH-ZIAGYGMSSA-N 1 3 244.382 2.258 20 0 BEADHO CC[C@H]1C[C@H](NC2CC[NH+](C(C)C)CC2)CO1 ZINC000657294088 411450075 /nfs/dbraw/zinc/45/00/75/411450075.db2.gz CYUSROVXKNZVOY-KBPBESRZSA-N 1 3 240.391 2.016 20 0 BEADHO CC(C)[NH2+]C1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660065483 411532732 /nfs/dbraw/zinc/53/27/32/411532732.db2.gz XEZCVKFXVGGKBA-BTTYYORXSA-N 1 3 236.403 2.495 20 0 BEADHO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000415011677 411488188 /nfs/dbraw/zinc/48/81/88/411488188.db2.gz RFTWNRKVEVYCFG-VXGBXAGGSA-N 1 3 236.359 2.299 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCC2CCC2)C1 ZINC000659990138 411521075 /nfs/dbraw/zinc/52/10/75/411521075.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000659990138 411521078 /nfs/dbraw/zinc/52/10/78/411521078.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCC2CCC2)C1 ZINC000659990138 411521081 /nfs/dbraw/zinc/52/10/81/411521081.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCC2CCC2)C1 ZINC000659990138 411521083 /nfs/dbraw/zinc/52/10/83/411521083.db2.gz YFKHBIJRHXRCPN-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCC2CCC2)C1 ZINC000659990136 411521462 /nfs/dbraw/zinc/52/14/62/411521462.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2CCC2)C1 ZINC000659990136 411521463 /nfs/dbraw/zinc/52/14/63/411521463.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCC2CCC2)C1 ZINC000659990136 411521465 /nfs/dbraw/zinc/52/14/65/411521465.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCC2CCC2)C1 ZINC000659990136 411521467 /nfs/dbraw/zinc/52/14/67/411521467.db2.gz YFKHBIJRHXRCPN-AWEZNQCLSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCc2ccco2)[C@@H](C)C1 ZINC000359425944 170013085 /nfs/dbraw/zinc/01/30/85/170013085.db2.gz OISFXISJZCXXBA-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCc2ccco2)[C@@H](C)C1 ZINC000359425944 170013086 /nfs/dbraw/zinc/01/30/86/170013086.db2.gz OISFXISJZCXXBA-GXTWGEPZSA-N 1 3 236.359 2.142 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000037484258 170017218 /nfs/dbraw/zinc/01/72/18/170017218.db2.gz OFKHHAZDBGZKKG-CQSZACIVSA-N 1 3 218.344 2.118 20 0 BEADHO CC[N@@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@@H](C)C1 ZINC000336779646 170023047 /nfs/dbraw/zinc/02/30/47/170023047.db2.gz PABRWJZNXNEKRN-SDDRHHMPSA-N 1 3 242.432 2.200 20 0 BEADHO CC[N@H+]1CC[C@H](N[C@@H]2CSC2(C)C)[C@@H](C)C1 ZINC000336779646 170023048 /nfs/dbraw/zinc/02/30/48/170023048.db2.gz PABRWJZNXNEKRN-SDDRHHMPSA-N 1 3 242.432 2.200 20 0 BEADHO CC[N@@H+]1CCC[C@@H]1CNc1nccc2[nH]ccc21 ZINC000663319910 411623919 /nfs/dbraw/zinc/62/39/19/411623919.db2.gz WFFYGQFOVYGEFS-LLVKDONJSA-N 1 3 244.342 2.459 20 0 BEADHO CC[N@H+]1CCC[C@@H]1CNc1nccc2[nH]ccc21 ZINC000663319910 411623922 /nfs/dbraw/zinc/62/39/22/411623922.db2.gz WFFYGQFOVYGEFS-LLVKDONJSA-N 1 3 244.342 2.459 20 0 BEADHO Cc1cnccc1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000663378915 411642689 /nfs/dbraw/zinc/64/26/89/411642689.db2.gz JSCYXTNCYOKTGI-OAHLLOKOSA-N 1 3 247.386 2.344 20 0 BEADHO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)ccn1 ZINC000663377432 411642805 /nfs/dbraw/zinc/64/28/05/411642805.db2.gz ACRLREAOLRRBQJ-HNNXBMFYSA-N 1 3 247.386 2.344 20 0 BEADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657663446 411576308 /nfs/dbraw/zinc/57/63/08/411576308.db2.gz BOOHCBWMERGZBC-GRYCIOLGSA-N 1 3 244.329 2.248 20 0 BEADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1(F)F ZINC000657663446 411576309 /nfs/dbraw/zinc/57/63/09/411576309.db2.gz BOOHCBWMERGZBC-GRYCIOLGSA-N 1 3 244.329 2.248 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657734108 411587739 /nfs/dbraw/zinc/58/77/39/411587739.db2.gz FNPDESKYLFJAOM-VJTDZRGJSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657734108 411587740 /nfs/dbraw/zinc/58/77/40/411587740.db2.gz FNPDESKYLFJAOM-VJTDZRGJSA-N 1 3 220.360 2.001 20 0 BEADHO C1C[C@@H]2[C@H](C1)[C@@H]2[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000657734108 411587741 /nfs/dbraw/zinc/58/77/41/411587741.db2.gz FNPDESKYLFJAOM-VJTDZRGJSA-N 1 3 220.360 2.001 20 0 BEADHO CC(C)N(C)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657831320 411608854 /nfs/dbraw/zinc/60/88/54/411608854.db2.gz VOGJOWKEGDTSMU-UHFFFAOYSA-N 1 3 248.361 2.394 20 0 BEADHO CC[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663470557 411667980 /nfs/dbraw/zinc/66/79/80/411667980.db2.gz VBRVOMHKTWJRJU-TZMCWYRMSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](CCC(F)(F)F)[NH2+]CC12CC(C1)CN2 ZINC000663497591 411678473 /nfs/dbraw/zinc/67/84/73/411678473.db2.gz HTFNFLVERWUXNM-XNWIYYODSA-N 1 3 236.281 2.059 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)CN3)[C@H](C)C1 ZINC000663497819 411679665 /nfs/dbraw/zinc/67/96/65/411679665.db2.gz KGKHFYFPOJTHQD-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@@H](NCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000663497819 411679670 /nfs/dbraw/zinc/67/96/70/411679670.db2.gz KGKHFYFPOJTHQD-LRUBOHGLSA-N 1 3 222.376 2.153 20 0 BEADHO CCCC[C@@H](COC)NCC[C@@H]([NH3+])C(C)C ZINC000663502007 411685516 /nfs/dbraw/zinc/68/55/16/411685516.db2.gz CUBGFRBWBQEPMU-QWHCGFSZSA-N 1 3 230.396 2.155 20 0 BEADHO C[NH2+]C[C@@H](C)NCC1CCC(C)(C)CC1 ZINC000663509445 411692157 /nfs/dbraw/zinc/69/21/57/411692157.db2.gz KTQXVWTXKMFVNE-LLVKDONJSA-N 1 3 212.381 2.400 20 0 BEADHO CC[N@@H+]1C[C@H](C)[C@H](Nc2nccc3[nH]ccc32)C1 ZINC000663708324 411727779 /nfs/dbraw/zinc/72/77/79/411727779.db2.gz NNJPTBKOJIQMLC-GXFFZTMASA-N 1 3 244.342 2.315 20 0 BEADHO CC[N@H+]1C[C@H](C)[C@H](Nc2nccc3[nH]ccc32)C1 ZINC000663708324 411727784 /nfs/dbraw/zinc/72/77/84/411727784.db2.gz NNJPTBKOJIQMLC-GXFFZTMASA-N 1 3 244.342 2.315 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662245505 412041966 /nfs/dbraw/zinc/04/19/66/412041966.db2.gz RTNWMUKWTVGKCO-GMTAPVOTSA-N 1 3 234.334 2.337 20 0 BEADHO C[C@H]1CN(CCCC2CCC2)CC[C@H]1[NH3+] ZINC000662246979 412044832 /nfs/dbraw/zinc/04/48/32/412044832.db2.gz XOMQADSQKJIGDI-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000662263450 412056362 /nfs/dbraw/zinc/05/63/62/412056362.db2.gz BHSBLUQHHPYEKX-MXWKQRLJSA-N 1 3 234.334 2.337 20 0 BEADHO CC[C@H](CC(F)F)C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000662263450 412056364 /nfs/dbraw/zinc/05/63/64/412056364.db2.gz BHSBLUQHHPYEKX-MXWKQRLJSA-N 1 3 234.334 2.337 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000336764475 171042229 /nfs/dbraw/zinc/04/22/29/171042229.db2.gz QASJUDUEYQRTKS-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000309612748 171045404 /nfs/dbraw/zinc/04/54/04/171045404.db2.gz AQWVQYUFZYSFPU-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309612748 171045405 /nfs/dbraw/zinc/04/54/05/171045405.db2.gz AQWVQYUFZYSFPU-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309612748 171045407 /nfs/dbraw/zinc/04/54/07/171045407.db2.gz AQWVQYUFZYSFPU-RFGFWPKPSA-N 1 3 222.376 2.391 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+]CCCN(C)C(C)C ZINC000336771825 171058465 /nfs/dbraw/zinc/05/84/65/171058465.db2.gz WZUVBHZLWLONQL-CHWSQXEVSA-N 1 3 212.381 2.495 20 0 BEADHO CC(C)=CCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662278475 412070708 /nfs/dbraw/zinc/07/07/08/412070708.db2.gz YBEMZFUVVHBASO-AWEZNQCLSA-N 1 3 222.376 2.418 20 0 BEADHO C[NH2+]CCCN1CCC[C@@H](c2ccccc2)C1 ZINC000662284861 412077096 /nfs/dbraw/zinc/07/70/96/412077096.db2.gz QDBKRAXRLMYGHP-OAHLLOKOSA-N 1 3 232.371 2.476 20 0 BEADHO c1ccc([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000662282507 412073426 /nfs/dbraw/zinc/07/34/26/412073426.db2.gz AZFZFKFYHOWDPE-HOCLYGCPSA-N 1 3 244.382 2.476 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CN ZINC000662283834 412074335 /nfs/dbraw/zinc/07/43/35/412074335.db2.gz QICMVCVIGSAZPJ-DXUDUQDWSA-N 1 3 236.403 2.338 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CN ZINC000662283834 412074340 /nfs/dbraw/zinc/07/43/40/412074340.db2.gz QICMVCVIGSAZPJ-DXUDUQDWSA-N 1 3 236.403 2.338 20 0 BEADHO CC[C@H](C)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000336707412 171279638 /nfs/dbraw/zinc/27/96/38/171279638.db2.gz GXAURVJFNYLLIE-ZDUSSCGKSA-N 1 3 242.407 2.075 20 0 BEADHO CC[C@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000337256632 171320800 /nfs/dbraw/zinc/32/08/00/171320800.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000337256632 171320803 /nfs/dbraw/zinc/32/08/03/171320803.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000337256632 171320804 /nfs/dbraw/zinc/32/08/04/171320804.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000337256632 171320805 /nfs/dbraw/zinc/32/08/05/171320805.db2.gz SMVXTMXOIQISSJ-GXTWGEPZSA-N 1 3 224.392 2.449 20 0 BEADHO CC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000309088027 171340328 /nfs/dbraw/zinc/34/03/28/171340328.db2.gz BFALUAVBQGMRQW-LBPRGKRZSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000038041622 171341231 /nfs/dbraw/zinc/34/12/31/171341231.db2.gz BJQOVXMHKXNMNK-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000038041624 171341238 /nfs/dbraw/zinc/34/12/38/171341238.db2.gz BJQOVXMHKXNMNK-STQMWFEESA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305977 412090442 /nfs/dbraw/zinc/09/04/42/412090442.db2.gz MKWWHFHNTMQODN-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CNCCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305977 412090447 /nfs/dbraw/zinc/09/04/47/412090447.db2.gz MKWWHFHNTMQODN-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[NH2+]CCCN1CC[C@@H](C2CCCCC2)C1 ZINC000662305977 412090450 /nfs/dbraw/zinc/09/04/50/412090450.db2.gz MKWWHFHNTMQODN-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO CC(C)(CCN1CC2CC1(C[NH3+])C2)C1CC1 ZINC000662305234 412091473 /nfs/dbraw/zinc/09/14/73/412091473.db2.gz FKGBBLQDHCKHOX-UHFFFAOYSA-N 1 3 222.376 2.236 20 0 BEADHO [NH3+]CC12CC(C1)CN2CC1CCCCCC1 ZINC000662307315 412093018 /nfs/dbraw/zinc/09/30/18/412093018.db2.gz ZXIXEZDGOPGHNY-UHFFFAOYSA-N 1 3 222.376 2.380 20 0 BEADHO CC[C@H](C)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319149 412098904 /nfs/dbraw/zinc/09/89/04/412098904.db2.gz FMIAHFDZJBGLFE-UONOGXRCSA-N 1 3 242.407 2.075 20 0 BEADHO C[NH2+]CCCN(C)C[C@@H]1CCc2ccccc21 ZINC000662324382 412102367 /nfs/dbraw/zinc/10/23/67/412102367.db2.gz WTEKODURVZWMTK-AWEZNQCLSA-N 1 3 232.371 2.258 20 0 BEADHO c1ccc(C23CC(C2)CN3C[C@@H]2CC[NH2+]C2)cc1 ZINC000662328527 412104628 /nfs/dbraw/zinc/10/46/28/412104628.db2.gz RPPAUNBWWAEVMH-VQCLRJIVSA-N 1 3 242.366 2.217 20 0 BEADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665237450 412178590 /nfs/dbraw/zinc/17/85/90/412178590.db2.gz BGPPMHDJBOWDSY-CHWSQXEVSA-N 1 3 230.311 2.402 20 0 BEADHO Cc1ccncc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000665239020 412180864 /nfs/dbraw/zinc/18/08/64/412180864.db2.gz KGJYFWYXDDQNTO-HUUCEWRRSA-N 1 3 247.386 2.182 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244833 412188951 /nfs/dbraw/zinc/18/89/51/412188951.db2.gz XREQVDRTOWQVCE-OZTPJHRESA-N 1 3 232.371 2.430 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000665244833 412188954 /nfs/dbraw/zinc/18/89/54/412188954.db2.gz XREQVDRTOWQVCE-OZTPJHRESA-N 1 3 232.371 2.430 20 0 BEADHO COC[C@H](NCC1([NH3+])CCCC1)C1CCCC1 ZINC000665247468 412193622 /nfs/dbraw/zinc/19/36/22/412193622.db2.gz CHEVAHBBHJEKJF-ZDUSSCGKSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]1CCC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])O1 ZINC000665264652 412207585 /nfs/dbraw/zinc/20/75/85/412207585.db2.gz FLQUQBLQPUOMLF-SYQHCUMBSA-N 1 3 240.391 2.194 20 0 BEADHO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1(F)F ZINC000665265729 412208508 /nfs/dbraw/zinc/20/85/08/412208508.db2.gz ZWTYMEJWXRNBAJ-GARJFASQSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)O1 ZINC000665265179 412209419 /nfs/dbraw/zinc/20/94/19/412209419.db2.gz RMCLGTNGSZFTPN-AAVRWANBSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000665266915 412210246 /nfs/dbraw/zinc/21/02/46/412210246.db2.gz LTQLQQNPADMTMK-LPEHRKFASA-N 1 3 220.307 2.137 20 0 BEADHO C[C@]1(CC[NH2+][C@H]2CCC[C@H]2CN)CC1(F)F ZINC000665266821 412210586 /nfs/dbraw/zinc/21/05/86/412210586.db2.gz KIWVYMVKOIAFAC-DCAQKATOSA-N 1 3 232.318 2.139 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1noc2ccccc12 ZINC000665231880 412170091 /nfs/dbraw/zinc/17/00/91/412170091.db2.gz ABCAZDPKJYFCDC-MNOVXSKESA-N 1 3 247.342 2.086 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1noc2ccccc12 ZINC000665231880 412170096 /nfs/dbraw/zinc/17/00/96/412170096.db2.gz ABCAZDPKJYFCDC-MNOVXSKESA-N 1 3 247.342 2.086 20 0 BEADHO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)C1CNC1 ZINC000665274639 412217453 /nfs/dbraw/zinc/21/74/53/412217453.db2.gz UZVJAURCWXXQPA-GCVQQVDUSA-N 1 3 244.329 2.152 20 0 BEADHO CO[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000665275764 412219276 /nfs/dbraw/zinc/21/92/76/412219276.db2.gz RCBRABSKMWWZFP-HZSPNIEDSA-N 1 3 240.391 2.051 20 0 BEADHO CC1(C)C[C@@]1(C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665276053 412219934 /nfs/dbraw/zinc/21/99/34/412219934.db2.gz XOEFDKOVMNPCMZ-FIOVSDBCSA-N 1 3 208.349 2.048 20 0 BEADHO CCC(C)(C)[C@H](C)NCC12CC(C1)C[NH2+]2 ZINC000665279669 412222455 /nfs/dbraw/zinc/22/24/55/412222455.db2.gz JDAIAXJKIAXMBI-ZBOXLXRLSA-N 1 3 210.365 2.153 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665279669 412222458 /nfs/dbraw/zinc/22/24/58/412222458.db2.gz JDAIAXJKIAXMBI-ZBOXLXRLSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H](C)[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665279327 412222977 /nfs/dbraw/zinc/22/29/77/412222977.db2.gz ANAABICCSJWKKR-GRYCIOLGSA-N 1 3 200.370 2.384 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665278786 412223511 /nfs/dbraw/zinc/22/35/11/412223511.db2.gz OUTFCAZSGBTKKA-DKNRTOFZSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665278786 412223515 /nfs/dbraw/zinc/22/35/15/412223515.db2.gz OUTFCAZSGBTKKA-DKNRTOFZSA-N 1 3 222.376 2.297 20 0 BEADHO CCC[C@@H]([NH2+]CC12CC(C1)CN2)C1CCC1 ZINC000665280275 412224221 /nfs/dbraw/zinc/22/42/21/412224221.db2.gz XSJXHOQUHFJVLD-HRDQMINSSA-N 1 3 222.376 2.297 20 0 BEADHO CCC[C@@H](NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000665280275 412224223 /nfs/dbraw/zinc/22/42/23/412224223.db2.gz XSJXHOQUHFJVLD-HRDQMINSSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C(C)(C)C ZINC000665281129 412225823 /nfs/dbraw/zinc/22/58/23/412225823.db2.gz VKXBUIMQJLKPIX-WDEREUQCSA-N 1 3 200.370 2.384 20 0 BEADHO CO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000665284038 412229646 /nfs/dbraw/zinc/22/96/46/412229646.db2.gz ZKGQUJILDRGBID-MBNYWOFBSA-N 1 3 242.407 2.297 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CCCC[C@H]1C ZINC000665297314 412237843 /nfs/dbraw/zinc/23/78/43/412237843.db2.gz CYIHLQWSMVYRMH-YVECIDJPSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC12CCCC2 ZINC000665297304 412244355 /nfs/dbraw/zinc/24/43/55/412244355.db2.gz CXDBMLQYHYSNBZ-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000665298547 412246376 /nfs/dbraw/zinc/24/63/76/412246376.db2.gz XWYCVXTXYSQIQP-YNEHKIRRSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000665298544 412246839 /nfs/dbraw/zinc/24/68/39/412246839.db2.gz XWYCVXTXYSQIQP-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000336585045 173059656 /nfs/dbraw/zinc/05/96/56/173059656.db2.gz BIGZDHSREYJGTI-KBPBESRZSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000336585045 173059658 /nfs/dbraw/zinc/05/96/58/173059658.db2.gz BIGZDHSREYJGTI-KBPBESRZSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@@H+]1CCC[C@H]2CN(CCC3CC3)CC[C@H]21 ZINC000335904938 173060311 /nfs/dbraw/zinc/06/03/11/173060311.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CCC[C@H]2CN(CCC3CC3)CC[C@H]21 ZINC000335904938 173060312 /nfs/dbraw/zinc/06/03/12/173060312.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000335904938 173060314 /nfs/dbraw/zinc/06/03/14/173060314.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000335904938 173060315 /nfs/dbraw/zinc/06/03/15/173060315.db2.gz NYEYWFWAYBDVLA-UONOGXRCSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@@H+]1CC[C@@]2(CCN(CCc3ccccc3)C2)C1 ZINC000292206517 173139669 /nfs/dbraw/zinc/13/96/69/173139669.db2.gz SSLSTGICNMTMTP-MRXNPFEDSA-N 1 3 244.382 2.257 20 0 BEADHO C[N@H+]1CC[C@@]2(CCN(CCc3ccccc3)C2)C1 ZINC000292206517 173139671 /nfs/dbraw/zinc/13/96/71/173139671.db2.gz SSLSTGICNMTMTP-MRXNPFEDSA-N 1 3 244.382 2.257 20 0 BEADHO C[N@@H+]1CC[C@]2(CCN(CC3CC(F)(F)C3)C2)C1 ZINC000336268432 173166382 /nfs/dbraw/zinc/16/63/82/173166382.db2.gz LDPCAYYBVBMALG-LBPRGKRZSA-N 1 3 244.329 2.059 20 0 BEADHO C[N@H+]1CC[C@]2(CCN(CC3CC(F)(F)C3)C2)C1 ZINC000336268432 173166384 /nfs/dbraw/zinc/16/63/84/173166384.db2.gz LDPCAYYBVBMALG-LBPRGKRZSA-N 1 3 244.329 2.059 20 0 BEADHO CNC1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000042864245 173322554 /nfs/dbraw/zinc/32/25/54/173322554.db2.gz SGTDZEQRHDGHTK-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@H]2CCCC[C@@H]2C)CC1 ZINC000042864245 173322556 /nfs/dbraw/zinc/32/25/56/173322556.db2.gz SGTDZEQRHDGHTK-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054628701 173323909 /nfs/dbraw/zinc/32/39/09/173323909.db2.gz KYWASHCOVJPCQH-YOGCLGLASA-N 1 3 210.365 2.247 20 0 BEADHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054628701 173323911 /nfs/dbraw/zinc/32/39/11/173323911.db2.gz KYWASHCOVJPCQH-YOGCLGLASA-N 1 3 210.365 2.247 20 0 BEADHO C[NH2+]CCCN(C)[C@@H]1CCc2ccccc2C1 ZINC000124798621 173346423 /nfs/dbraw/zinc/34/64/23/173346423.db2.gz MCSHONRMXBZQES-OAHLLOKOSA-N 1 3 232.371 2.085 20 0 BEADHO CNCCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000124798621 173346424 /nfs/dbraw/zinc/34/64/24/173346424.db2.gz MCSHONRMXBZQES-OAHLLOKOSA-N 1 3 232.371 2.085 20 0 BEADHO CNCCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000124798621 173346426 /nfs/dbraw/zinc/34/64/26/173346426.db2.gz MCSHONRMXBZQES-OAHLLOKOSA-N 1 3 232.371 2.085 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011888651 173367656 /nfs/dbraw/zinc/36/76/56/173367656.db2.gz AJWAQCQDRDZESL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011888651 173367657 /nfs/dbraw/zinc/36/76/57/173367657.db2.gz AJWAQCQDRDZESL-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](C2CCC(C)CC2)C1 ZINC000040591850 173367712 /nfs/dbraw/zinc/36/77/12/173367712.db2.gz HACMNYTVYYRJQE-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO CNC[C@@H]1CCC[N@H+](C2CCC(C)CC2)C1 ZINC000040591850 173367713 /nfs/dbraw/zinc/36/77/13/173367713.db2.gz HACMNYTVYYRJQE-MOKVOYLWSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000011892049 173369793 /nfs/dbraw/zinc/36/97/93/173369793.db2.gz YBNCTWRPIRHPKI-HNNXBMFYSA-N 1 3 232.371 2.161 20 0 BEADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000251672428 173370494 /nfs/dbraw/zinc/37/04/94/173370494.db2.gz GNDJYIUWQFTCNE-MJBXVCDLSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H](C)C2)C1 ZINC000251672428 173370496 /nfs/dbraw/zinc/37/04/96/173370496.db2.gz GNDJYIUWQFTCNE-MJBXVCDLSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC000300967074 173380278 /nfs/dbraw/zinc/38/02/78/173380278.db2.gz RPZLXPUGISVTFU-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO CNC[C@H]1CCC[N@H+]1C[C@@H](C)CC(C)C ZINC000300967074 173380280 /nfs/dbraw/zinc/38/02/80/173380280.db2.gz RPZLXPUGISVTFU-QWHCGFSZSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCC=C(C)C)C1 ZINC000662238831 487626916 /nfs/dbraw/zinc/62/69/16/487626916.db2.gz XXMJTTROLVDWET-ZDUSSCGKSA-N 1 3 210.365 2.274 20 0 BEADHO CCC1(CC)CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000087254654 487628069 /nfs/dbraw/zinc/62/80/69/487628069.db2.gz ZCWLKDLBLOQKIV-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO COCCCCC[N@@H+]1CCCC[C@@H]1CCN ZINC000352496516 174178432 /nfs/dbraw/zinc/17/84/32/174178432.db2.gz WWYNKQLWEPMRGG-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO COCCCCC[N@H+]1CCCC[C@@H]1CCN ZINC000352496516 174178435 /nfs/dbraw/zinc/17/84/35/174178435.db2.gz WWYNKQLWEPMRGG-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO COCCCCCN1CCCC[C@@H]1CC[NH3+] ZINC000352496516 174178436 /nfs/dbraw/zinc/17/84/36/174178436.db2.gz WWYNKQLWEPMRGG-CYBMUJFWSA-N 1 3 228.380 2.006 20 0 BEADHO COCCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000363546412 174264104 /nfs/dbraw/zinc/26/41/04/174264104.db2.gz RKZOAPLDPKJKKU-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO COCC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357877164 174382165 /nfs/dbraw/zinc/38/21/65/174382165.db2.gz NNGZWMLQDXMNKX-CYBMUJFWSA-N 1 3 242.407 2.123 20 0 BEADHO COc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000126873029 175102823 /nfs/dbraw/zinc/10/28/23/175102823.db2.gz JRARVLLLAJZYFS-OCCSQVGLSA-N 1 3 248.370 2.173 20 0 BEADHO COc1cccc([C@@H](C)NC2CC[NH+](C)CC2)c1 ZINC000037267138 175286654 /nfs/dbraw/zinc/28/66/54/175286654.db2.gz WUMXHOGGKJRSDM-GFCCVEGCSA-N 1 3 248.370 2.440 20 0 BEADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CCNC2)C1 ZINC000251604803 176137726 /nfs/dbraw/zinc/13/77/26/176137726.db2.gz CUXNURRAYIXTJP-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)[C@H](C)C1 ZINC000069675256 176232964 /nfs/dbraw/zinc/23/29/64/176232964.db2.gz VPWYBMUIIVTFQE-WZRBSPASSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CSC1(C)C ZINC000309823375 176280797 /nfs/dbraw/zinc/28/07/97/176280797.db2.gz WVTQGNGZADXBRE-DDHJBXDOSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CSC1(C)C ZINC000309823375 176280798 /nfs/dbraw/zinc/28/07/98/176280798.db2.gz WVTQGNGZADXBRE-DDHJBXDOSA-N 1 3 242.432 2.199 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1N ZINC000049710704 176286761 /nfs/dbraw/zinc/28/67/61/176286761.db2.gz JDTXEYQOJHLZCZ-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1N ZINC000049710704 176286762 /nfs/dbraw/zinc/28/67/62/176286762.db2.gz JDTXEYQOJHLZCZ-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CN(CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000049710704 176286764 /nfs/dbraw/zinc/28/67/64/176286764.db2.gz JDTXEYQOJHLZCZ-YPMHNXCESA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](c1ccccc1)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251604119 176317285 /nfs/dbraw/zinc/31/72/85/176317285.db2.gz DEXULUOWZSCBAU-BZPMIXESSA-N 1 3 218.344 2.417 20 0 BEADHO C[C@@H]1CN(c2ccnc3ccccc32)C[C@@H]1[NH3+] ZINC000235387802 176319778 /nfs/dbraw/zinc/31/97/78/176319778.db2.gz FOEYTZBFVYKWDI-PWSUYJOCSA-N 1 3 227.311 2.018 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCC(C)(C)C ZINC000300958956 176367800 /nfs/dbraw/zinc/36/78/00/176367800.db2.gz YFAGVUXRAUIKNV-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCC(C)(C)C ZINC000300958956 176367801 /nfs/dbraw/zinc/36/78/01/176367801.db2.gz YFAGVUXRAUIKNV-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000336769806 176397824 /nfs/dbraw/zinc/39/78/24/176397824.db2.gz VWNZRIWJHUFLQP-FVCCEPFGSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@H]([NH2+]CCCN)[C@@H](C)c1ccccc1 ZINC000309376645 176844573 /nfs/dbraw/zinc/84/45/73/176844573.db2.gz CTKALDBATMGIKM-NEPJUHHUSA-N 1 3 206.333 2.117 20 0 BEADHO C[C@@H]1C[C@H]1C[NH2+]CCCN1CCCC[C@@H]1C ZINC000309732275 177075224 /nfs/dbraw/zinc/07/52/24/177075224.db2.gz BLMSQLBBNLNNAT-RDBSUJKOSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1CN(CCCC(C)(C)C)CC[C@@H]1[NH3+] ZINC000300836079 177248144 /nfs/dbraw/zinc/24/81/44/177248144.db2.gz INTNPPMNVQNEMS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[N@H+](CCCC(C)(C)C)CC[C@@H]1N ZINC000300836079 177248146 /nfs/dbraw/zinc/24/81/46/177248146.db2.gz INTNPPMNVQNEMS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[N@@H+](CCCC(C)(C)C)CC[C@@H]1N ZINC000300836079 177248148 /nfs/dbraw/zinc/24/81/48/177248148.db2.gz INTNPPMNVQNEMS-RYUDHWBXSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]1C[C@@H](NCc2ccccc2)CC[N@@H+]1C ZINC000073655701 177331606 /nfs/dbraw/zinc/33/16/06/177331606.db2.gz KZTLAVPYGULHBC-JSGCOSHPSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@H]1C[C@@H](NCc2ccccc2)CC[N@H+]1C ZINC000073655701 177331607 /nfs/dbraw/zinc/33/16/07/177331607.db2.gz KZTLAVPYGULHBC-JSGCOSHPSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]CC(C)(C)CN1CCCC1 ZINC000336749559 177344997 /nfs/dbraw/zinc/34/49/97/177344997.db2.gz UDHZSZJALGGDAS-QWHCGFSZSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@H]1C[C@H](NCCC[NH3+])c2ccccc21 ZINC000336719743 177369062 /nfs/dbraw/zinc/36/90/62/177369062.db2.gz ZCMVZNSAVOSVEX-GWCFXTLKSA-N 1 3 204.317 2.173 20 0 BEADHO C[C@H]1Cc2ccccc2[C@@H]1NCCC[NH+](C)C ZINC000151926962 177390534 /nfs/dbraw/zinc/39/05/34/177390534.db2.gz JWNOBWXTIOWJET-SWLSCSKDSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400630250 226347985 /nfs/dbraw/zinc/34/79/85/226347985.db2.gz LPLFJCSAWJOUJS-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@H]1CCCN1 ZINC000400630250 226347986 /nfs/dbraw/zinc/34/79/86/226347986.db2.gz LPLFJCSAWJOUJS-MROQNXINSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@H](N)C[C@H]1C)C(C)(C)C ZINC000162971357 487675617 /nfs/dbraw/zinc/67/56/17/487675617.db2.gz OSQMGWAKOYHMCE-UTUOFQBUSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@H](C[N@H+]1CC[C@H](N)C[C@H]1C)C(C)(C)C ZINC000162971357 487675623 /nfs/dbraw/zinc/67/56/23/487675623.db2.gz OSQMGWAKOYHMCE-UTUOFQBUSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@H](C[N@@H+]1CC[C@@H](N)C[C@H]1C)C(C)(C)C ZINC000162971124 487675728 /nfs/dbraw/zinc/67/57/28/487675728.db2.gz OSQMGWAKOYHMCE-IJLUTSLNSA-N 1 3 212.381 2.480 20 0 BEADHO C[C@H](C[N@H+]1CC[C@@H](N)C[C@H]1C)C(C)(C)C ZINC000162971124 487675730 /nfs/dbraw/zinc/67/57/30/487675730.db2.gz OSQMGWAKOYHMCE-IJLUTSLNSA-N 1 3 212.381 2.480 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCC1 ZINC000324956795 262798763 /nfs/dbraw/zinc/79/87/63/262798763.db2.gz VWAMDECPCFTVCQ-XQQFMLRXSA-N 1 3 210.365 2.425 20 0 BEADHO C[NH2+]CCCNCC(C)(C)c1ccccc1 ZINC000163330785 487712924 /nfs/dbraw/zinc/71/29/24/487712924.db2.gz IEUQIUDRGQRXLY-UHFFFAOYSA-N 1 3 220.360 2.163 20 0 BEADHO CC[C@@H]1C[C@H]([NH2+]CCCN(C)C(C)C)CCO1 ZINC000226340019 487714471 /nfs/dbraw/zinc/71/44/71/487714471.db2.gz JIAGANJGGRZTTH-ZIAGYGMSSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H](C[NH+]1CCC(C)(N)CC1)C(C)(C)C ZINC000309739892 487723461 /nfs/dbraw/zinc/72/34/61/487723461.db2.gz DCCJXSGKEKZVHR-LLVKDONJSA-N 1 3 212.381 2.482 20 0 BEADHO FC(F)C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000681112202 487730710 /nfs/dbraw/zinc/73/07/10/487730710.db2.gz BTCWWZWMLVIQLK-POSLAHMBSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000681112202 487730714 /nfs/dbraw/zinc/73/07/14/487730714.db2.gz BTCWWZWMLVIQLK-POSLAHMBSA-N 1 3 244.329 2.247 20 0 BEADHO FC(F)C1CC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000681112202 487730719 /nfs/dbraw/zinc/73/07/19/487730719.db2.gz BTCWWZWMLVIQLK-POSLAHMBSA-N 1 3 244.329 2.247 20 0 BEADHO CC[C@@]1(C)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000379462403 487734225 /nfs/dbraw/zinc/73/42/25/487734225.db2.gz UKWLVJVPNUJENT-STQMWFEESA-N 1 3 210.365 2.108 20 0 BEADHO Cc1ccccc1C[NH2+]C[C@H](N)CC(C)C ZINC000415088370 487808893 /nfs/dbraw/zinc/80/88/93/487808893.db2.gz LWOSXYWFVRNIBQ-CQSZACIVSA-N 1 3 220.360 2.458 20 0 BEADHO C[C@@H]1CCC[C@H](N(C)C[C@H]2CC[NH2+]C2)C1 ZINC000251953165 487809542 /nfs/dbraw/zinc/80/95/42/487809542.db2.gz XABDLEAURPRWHR-AGIUHOORSA-N 1 3 210.365 2.106 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 ZINC000782191546 585811719 /nfs/dbraw/zinc/81/17/19/585811719.db2.gz XAVGKFIIMJSRHD-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@]1(c2ccc(F)cc2)CCN(CCC[NH3+])C1 ZINC000414740124 487820460 /nfs/dbraw/zinc/82/04/60/487820460.db2.gz JKZUTDHQKFBQRJ-CQSZACIVSA-N 1 3 236.334 2.138 20 0 BEADHO COc1cccc([C@@H]2C[C@@H](C)CN2CCC[NH3+])c1 ZINC000414740202 487820497 /nfs/dbraw/zinc/82/04/97/487820497.db2.gz KTPNDLRVHIOJJB-DOMZBBRYSA-N 1 3 248.370 2.427 20 0 BEADHO CC[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419008 487824155 /nfs/dbraw/zinc/82/41/55/487824155.db2.gz XSRTUPIIARLOOR-RWMBFGLXSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]([NH3+])CN[C@H](C)CSC(C)(C)C ZINC000817979550 586861114 /nfs/dbraw/zinc/86/11/14/586861114.db2.gz LOGQAQGTVVYRME-ZJUUUORDSA-N 1 3 218.410 2.234 20 0 BEADHO [NH3+]CCCNCCc1cc(Cl)cc(Cl)c1 ZINC000415086986 487836031 /nfs/dbraw/zinc/83/60/31/487836031.db2.gz SLIHWKORNINFNH-UHFFFAOYSA-N 1 3 247.169 2.474 20 0 BEADHO NCCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000415086986 487836037 /nfs/dbraw/zinc/83/60/37/487836037.db2.gz SLIHWKORNINFNH-UHFFFAOYSA-N 1 3 247.169 2.474 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403339375 322949146 /nfs/dbraw/zinc/94/91/46/322949146.db2.gz IMDLCRGKSADQRM-DGTMBMJNSA-N 1 3 222.376 2.140 20 0 BEADHO [NH3+]CCCNC1(c2ccc(F)cc2)CCC1 ZINC000666652270 487852212 /nfs/dbraw/zinc/85/22/12/487852212.db2.gz ZUMZKGMRPBNOQP-UHFFFAOYSA-N 1 3 222.307 2.143 20 0 BEADHO Cc1ccc(CN(C)C[C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC000666693929 487861910 /nfs/dbraw/zinc/86/19/10/487861910.db2.gz JIUVLWMVVJYQBQ-KBPBESRZSA-N 1 3 247.386 2.210 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@@H]1CCOc2ccccc21 ZINC000666741415 487869240 /nfs/dbraw/zinc/86/92/40/487869240.db2.gz QSSFMGHPVYOZOY-GXTWGEPZSA-N 1 3 248.370 2.126 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000666853959 487872398 /nfs/dbraw/zinc/87/23/98/487872398.db2.gz UKPMHOYIKAJRCI-RAIGVLPGSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@H](CCC(F)(F)F)NC[C@H]1CCCC[NH2+]1 ZINC000666769913 487875292 /nfs/dbraw/zinc/87/52/92/487875292.db2.gz HFOCQKRTCWRMCN-NXEZZACHSA-N 1 3 238.297 2.449 20 0 BEADHO Fc1cccc(CNCC[C@H]2CC[NH2+]C2)c1F ZINC000666787380 487880121 /nfs/dbraw/zinc/88/01/21/487880121.db2.gz BLSHRNKDXUSVLP-SNVBAGLBSA-N 1 3 240.297 2.054 20 0 BEADHO N[C@H](C[NH2+]Cc1ccc2cnccc2c1)C1CC1 ZINC000666835907 487888107 /nfs/dbraw/zinc/88/81/07/487888107.db2.gz YXEBEUCVPXUBIW-OAHLLOKOSA-N 1 3 241.338 2.062 20 0 BEADHO Fc1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952543 487891868 /nfs/dbraw/zinc/89/18/68/487891868.db2.gz ZYQQUXPJVUYBMX-ZDUSSCGKSA-N 1 3 234.318 2.057 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@@H](C)C(C)(C)C ZINC000666878584 487895272 /nfs/dbraw/zinc/89/52/72/487895272.db2.gz OYQOWEDPXLOFNO-GHMZBOCLSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@H](CC1CCC1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000666880449 487895598 /nfs/dbraw/zinc/89/55/98/487895598.db2.gz NCSSKPYCEMXRIP-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CCC1 ZINC000666993714 487902372 /nfs/dbraw/zinc/90/23/72/487902372.db2.gz GCICGJIIJAOKGT-WCQYABFASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000666930296 487907794 /nfs/dbraw/zinc/90/77/94/487907794.db2.gz XOWHVBIZEXKWFP-MNOVXSKESA-N 1 3 218.344 2.389 20 0 BEADHO Cc1ccc(F)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952281 487913852 /nfs/dbraw/zinc/91/38/52/487913852.db2.gz OBZGLCSDBNHAHL-CQSZACIVSA-N 1 3 248.345 2.366 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCNC1(C)C)C(C)(C)C ZINC000666966503 487919834 /nfs/dbraw/zinc/91/98/34/487919834.db2.gz YNERLDFBCZPQFQ-GHMZBOCLSA-N 1 3 212.381 2.399 20 0 BEADHO [NH3+]C[C@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC000666962227 487920196 /nfs/dbraw/zinc/92/01/96/487920196.db2.gz UDDCNUICJHPROH-GXSJLCMTSA-N 1 3 240.297 2.182 20 0 BEADHO C[C@H](CC1CCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000666993015 487923446 /nfs/dbraw/zinc/92/34/46/487923446.db2.gz WSLBDZGRPHPNFX-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CN[C@@H]1CCCC[NH2+]C1)C(C)(C)C ZINC000666993005 487923606 /nfs/dbraw/zinc/92/36/06/487923606.db2.gz UHBUHGDJSUZWQO-VXGBXAGGSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)(C)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666998369 487924417 /nfs/dbraw/zinc/92/44/17/487924417.db2.gz PSLOJAMSIMGNOT-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO C1CC2(C1)C[C@@H]([NH2+][C@H]1CCCSC1)CCN2 ZINC000666995664 487924472 /nfs/dbraw/zinc/92/44/72/487924472.db2.gz VPUHEODVETWDBB-RYUDHWBXSA-N 1 3 240.416 2.146 20 0 BEADHO C1CC2(C1)C[C@@H](N[C@H]1CCCSC1)CC[NH2+]2 ZINC000666995664 487924476 /nfs/dbraw/zinc/92/44/76/487924476.db2.gz VPUHEODVETWDBB-RYUDHWBXSA-N 1 3 240.416 2.146 20 0 BEADHO C[C@@H](CC1CC1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995392 487924798 /nfs/dbraw/zinc/92/47/98/487924798.db2.gz MTKUJDDFJCPDBK-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO CC(C)C[C@@H]([NH3+])CN1CC[C@@H](C2CCC2)C1 ZINC000667060730 487929688 /nfs/dbraw/zinc/92/96/88/487929688.db2.gz HZIYSMVTKOUQFW-ZIAGYGMSSA-N 1 3 224.392 2.482 20 0 BEADHO C(C1CCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000083839906 487941759 /nfs/dbraw/zinc/94/17/59/487941759.db2.gz YMTNIUSCZAGENU-KBPBESRZSA-N 1 3 222.376 2.251 20 0 BEADHO CCCOc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000562748362 323029754 /nfs/dbraw/zinc/02/97/54/323029754.db2.gz JKTBXEZATYBDCJ-RYUDHWBXSA-N 1 3 236.359 2.301 20 0 BEADHO CC(C)[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000570562623 323063070 /nfs/dbraw/zinc/06/30/70/323063070.db2.gz HYLGVVWJPCIRHO-ZIAGYGMSSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccsc1 ZINC000570663006 323066454 /nfs/dbraw/zinc/06/64/54/323066454.db2.gz YDMPPAXXSNSNLR-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000570663006 323066455 /nfs/dbraw/zinc/06/64/55/323066455.db2.gz YDMPPAXXSNSNLR-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCC12CCC2)CN(C)C ZINC000394829904 323086063 /nfs/dbraw/zinc/08/60/63/323086063.db2.gz TUVDINLIAAGHMB-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000571037878 323104337 /nfs/dbraw/zinc/10/43/37/323104337.db2.gz KTGCXCMSAXKKCJ-SMDDNHRTSA-N 1 3 248.370 2.400 20 0 BEADHO COC[C@@H](C)C[NH2+]CCNC1CCCCCC1 ZINC000563430581 323125028 /nfs/dbraw/zinc/12/50/28/323125028.db2.gz BIOSDNGBBUFGKM-ZDUSSCGKSA-N 1 3 242.407 2.171 20 0 BEADHO CC(C)[C@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000324209177 323136166 /nfs/dbraw/zinc/13/61/66/323136166.db2.gz CQGUHTDKGKSPFH-AAEUAGOBSA-N 1 3 210.365 2.010 20 0 BEADHO CCNCCC[NH2+][C@@H](C)CC(C)(C)C ZINC000571312833 323141118 /nfs/dbraw/zinc/14/11/18/323141118.db2.gz HDXWOXYULJLIFY-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCc2ccccc2C1 ZINC000414942547 323152187 /nfs/dbraw/zinc/15/21/87/323152187.db2.gz ZQPCSQGWLSROGD-KCXAZCMYSA-N 1 3 244.382 2.132 20 0 BEADHO Cc1ccc(CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000531940794 323156014 /nfs/dbraw/zinc/15/60/14/323156014.db2.gz MRBLERYZRSCBKY-WCQYABFASA-N 1 3 236.359 2.203 20 0 BEADHO Cc1ccc(CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000531940794 323156015 /nfs/dbraw/zinc/15/60/15/323156015.db2.gz MRBLERYZRSCBKY-WCQYABFASA-N 1 3 236.359 2.203 20 0 BEADHO C[C@@H]1C[NH+](CC[C@H]2CCCN2C)C[C@@H](C)S1 ZINC000535469761 323173315 /nfs/dbraw/zinc/17/33/15/323173315.db2.gz VNOFLIJHDVSIMK-JHJVBQTASA-N 1 3 242.432 2.297 20 0 BEADHO COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000250874405 323174201 /nfs/dbraw/zinc/17/42/01/323174201.db2.gz HVAODTRYECNVOX-TZMCWYRMSA-N 1 3 248.370 2.173 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CC1 ZINC000323953515 323188327 /nfs/dbraw/zinc/18/83/27/323188327.db2.gz AAYXGQJTRYINKS-RTXFEEFZSA-N 1 3 210.365 2.009 20 0 BEADHO CCC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OCC ZINC000530209423 323209915 /nfs/dbraw/zinc/20/99/15/323209915.db2.gz HNGAOOOKVHLJJM-PIGZVRMJSA-N 1 3 240.391 2.064 20 0 BEADHO C1CC1[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCC1 ZINC000530214819 323216954 /nfs/dbraw/zinc/21/69/54/323216954.db2.gz CYWFIGSNQIGHJP-KBPBESRZSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC1[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000530214819 323216956 /nfs/dbraw/zinc/21/69/56/323216956.db2.gz CYWFIGSNQIGHJP-KBPBESRZSA-N 1 3 234.387 2.439 20 0 BEADHO Cc1ncccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000530219781 323218115 /nfs/dbraw/zinc/21/81/15/323218115.db2.gz KGQZVOQQBFLXAY-KBPBESRZSA-N 1 3 233.359 2.140 20 0 BEADHO CC(C)[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530225900 323219004 /nfs/dbraw/zinc/21/90/04/323219004.db2.gz XZJLQYZVELGMEI-OLZOCXBDSA-N 1 3 222.376 2.295 20 0 BEADHO CC(C)[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000530225900 323219006 /nfs/dbraw/zinc/21/90/06/323219006.db2.gz XZJLQYZVELGMEI-OLZOCXBDSA-N 1 3 222.376 2.295 20 0 BEADHO Cc1occc1CNCC1(C)CC[NH+](C)CC1 ZINC000321110953 323376717 /nfs/dbraw/zinc/37/67/17/323376717.db2.gz UQBXTBNKOTXLEH-UHFFFAOYSA-N 1 3 236.359 2.410 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CC12CC2 ZINC000527845021 323703276 /nfs/dbraw/zinc/70/32/76/323703276.db2.gz HPXHMLYYKOYRAV-CHWSQXEVSA-N 1 3 222.376 2.251 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(CC(C)C)C1 ZINC000076003685 325325488 /nfs/dbraw/zinc/32/54/88/325325488.db2.gz ZRKWVTOJHJSJDV-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000076003685 325325491 /nfs/dbraw/zinc/32/54/91/325325491.db2.gz ZRKWVTOJHJSJDV-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000076003685 325325492 /nfs/dbraw/zinc/32/54/92/325325492.db2.gz ZRKWVTOJHJSJDV-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCCOC2CCCCC2)C1 ZINC000093216149 325734553 /nfs/dbraw/zinc/73/45/53/325734553.db2.gz IXZOULNDXDFNFY-STQMWFEESA-N 1 3 240.391 2.195 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000566481336 326051155 /nfs/dbraw/zinc/05/11/55/326051155.db2.gz HFOXFYKQQASXJW-VGMNWLOBSA-N 1 3 224.270 2.044 20 0 BEADHO Cc1ccc(CC[NH2+][C@H](C)[C@H]2CCCCN2)o1 ZINC000567260373 326152234 /nfs/dbraw/zinc/15/22/34/326152234.db2.gz PZTNGAJHAZMDBF-TZMCWYRMSA-N 1 3 236.359 2.251 20 0 BEADHO CCNCCC[NH2+][C@H](C)CCC(C)C ZINC000567638962 326236435 /nfs/dbraw/zinc/23/64/35/326236435.db2.gz AYKLWNZEOXWBPB-GFCCVEGCSA-N 1 3 200.370 2.400 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NCCOCC2CCCC2)C1 ZINC000313267564 326261106 /nfs/dbraw/zinc/26/11/06/326261106.db2.gz UILWAJQMDCEMIC-ZIAGYGMSSA-N 1 3 240.391 2.053 20 0 BEADHO CC[C@H](COC)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000157358429 326270849 /nfs/dbraw/zinc/27/08/49/326270849.db2.gz BJYBONJCNPBWMI-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H](COC)NCC[C@H](C)[NH+]1CCCCC1 ZINC000157358429 326270850 /nfs/dbraw/zinc/27/08/50/326270850.db2.gz BJYBONJCNPBWMI-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cn1 ZINC000567889954 326277177 /nfs/dbraw/zinc/27/71/77/326277177.db2.gz OPVDTGUHLRFPOT-GJZGRUSLSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000568248481 326334107 /nfs/dbraw/zinc/33/41/07/326334107.db2.gz SGWHHHOAJIYABY-GJZGRUSLSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000568248481 326334109 /nfs/dbraw/zinc/33/41/09/326334109.db2.gz SGWHHHOAJIYABY-GJZGRUSLSA-N 1 3 232.371 2.397 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC12CC2)CN(C)C ZINC000568277316 326340018 /nfs/dbraw/zinc/34/00/18/326340018.db2.gz VNFQAFWJGBKORS-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C1CC1)C1CC1 ZINC000568749071 326374669 /nfs/dbraw/zinc/37/46/69/326374669.db2.gz UPUCSORANXLJAS-IAQYHMDHSA-N 1 3 236.403 2.400 20 0 BEADHO Cc1ccc(F)cc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000569002508 326386239 /nfs/dbraw/zinc/38/62/39/326386239.db2.gz BXRQKQBANDQAKS-WDEREUQCSA-N 1 3 224.323 2.350 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000151104156 488117795 /nfs/dbraw/zinc/11/77/95/488117795.db2.gz YAWJHERVWZOXEW-GFCCVEGCSA-N 1 3 236.403 2.497 20 0 BEADHO CC[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1N ZINC000403627710 488129161 /nfs/dbraw/zinc/12/91/61/488129161.db2.gz MITJONIZFSLLQQ-ZSAUSMIDSA-N 1 3 236.403 2.482 20 0 BEADHO CC[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1N ZINC000403627710 488129169 /nfs/dbraw/zinc/12/91/69/488129169.db2.gz MITJONIZFSLLQQ-ZSAUSMIDSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CCC1CCC1 ZINC000300828308 487538609 /nfs/dbraw/zinc/53/86/09/487538609.db2.gz JXELRXPQPULPCR-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227137692 487553011 /nfs/dbraw/zinc/55/30/11/487553011.db2.gz YAYUQTHOLNSXAG-DZKIICNBSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(C)(C)C1CC1 ZINC000405967615 487495806 /nfs/dbraw/zinc/49/58/06/487495806.db2.gz SGUILRAHMAVFPG-VXGBXAGGSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(C)(C)C1CC1 ZINC000405967615 487495811 /nfs/dbraw/zinc/49/58/11/487495811.db2.gz SGUILRAHMAVFPG-VXGBXAGGSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@H]1[C@@H]([NH3+])CCN1CCC(C)(C)C1CC1 ZINC000405954966 487497198 /nfs/dbraw/zinc/49/71/98/487497198.db2.gz JPALWQQSRGDZDU-JQWIXIFHSA-N 1 3 210.365 2.234 20 0 BEADHO C[C@@H]1CN(CCC(C)(C)C2CC2)C[C@H]1[NH3+] ZINC000405955624 487497485 /nfs/dbraw/zinc/49/74/85/487497485.db2.gz KGCOENBVLGRLOC-ZYHUDNBSSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H](CCC1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000398109427 488211334 /nfs/dbraw/zinc/21/13/34/488211334.db2.gz WTLQOFJIVZDXAG-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC2CCC2)C[C@H]1CN ZINC000398899104 488225427 /nfs/dbraw/zinc/22/54/27/488225427.db2.gz HDQKYRDYWUNLJW-YRGRVCCFSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC2CCC2)C[C@H]1CN ZINC000398899104 488225430 /nfs/dbraw/zinc/22/54/30/488225430.db2.gz HDQKYRDYWUNLJW-YRGRVCCFSA-N 1 3 224.392 2.482 20 0 BEADHO C(=C\C[N@H+]1CC=CCC1)\CN1CC=CCC1 ZINC000679322270 490112785 /nfs/dbraw/zinc/11/27/85/490112785.db2.gz YIXYOJUFEHVRFK-FPLPWBNLSA-N 1 3 218.344 2.066 20 0 BEADHO C(=C\C[N@@H+]1CC=CCC1)\CN1CC=CCC1 ZINC000679322270 490112788 /nfs/dbraw/zinc/11/27/88/490112788.db2.gz YIXYOJUFEHVRFK-FPLPWBNLSA-N 1 3 218.344 2.066 20 0 BEADHO COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000577887120 490221039 /nfs/dbraw/zinc/22/10/39/490221039.db2.gz FIDLLDYWYHAFMA-KGLIPLIRSA-N 1 3 248.370 2.363 20 0 BEADHO COc1ccc(C[N@H+](C)C2CCNCC2)cc1C ZINC000084574678 490230377 /nfs/dbraw/zinc/23/03/77/490230377.db2.gz XNIYBJYXNLJPEA-UHFFFAOYSA-N 1 3 248.370 2.187 20 0 BEADHO COc1ccc(C[N@@H+](C)C2CCNCC2)cc1C ZINC000084574678 490230379 /nfs/dbraw/zinc/23/03/79/490230379.db2.gz XNIYBJYXNLJPEA-UHFFFAOYSA-N 1 3 248.370 2.187 20 0 BEADHO CC1(C)CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000128607205 490583041 /nfs/dbraw/zinc/58/30/41/490583041.db2.gz QOJIGNUDMVFBJB-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1c[nH+]ccc1N[C@H]1CCN(C2CC2)C1 ZINC000070047293 491117615 /nfs/dbraw/zinc/11/76/15/491117615.db2.gz VNDVFXAAEZWMMH-NSHDSACASA-N 1 3 217.316 2.039 20 0 BEADHO C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN1 ZINC000400635438 533837795 /nfs/dbraw/zinc/83/77/95/533837795.db2.gz MREBKPCYLHAFFX-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H](COC)[NH2+]CCCN1CCCC[C@@H]1C ZINC000079706457 535761531 /nfs/dbraw/zinc/76/15/31/535761531.db2.gz LUMXGLFRGMPURO-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](COC)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000079706457 535761535 /nfs/dbraw/zinc/76/15/35/535761535.db2.gz LUMXGLFRGMPURO-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@@H](COC)NCCC[N@H+]1CCCC[C@@H]1C ZINC000079706457 535761538 /nfs/dbraw/zinc/76/15/38/535761538.db2.gz LUMXGLFRGMPURO-KBPBESRZSA-N 1 3 242.407 2.266 20 0 BEADHO CCc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261587431 536180414 /nfs/dbraw/zinc/18/04/14/536180414.db2.gz VBPDECJCQVLOEJ-ARFHVFGLSA-N 1 3 244.382 2.418 20 0 BEADHO CC(C)CC[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000087646111 534913757 /nfs/dbraw/zinc/91/37/57/534913757.db2.gz SVFFDSYYQDXKEY-OLZOCXBDSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@H](C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000414915586 528034329 /nfs/dbraw/zinc/03/43/29/528034329.db2.gz ZRXWQASBQSIQJY-QWHCGFSZSA-N 1 3 212.381 2.402 20 0 BEADHO CC(C)OCCC[N@H+](C)CC[C@H]1CCCN1C ZINC000348205866 535325078 /nfs/dbraw/zinc/32/50/78/535325078.db2.gz ZFFIWPZNAASUGD-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCCC[N@@H+](C)CC[C@H]1CCCN1C ZINC000348205866 535325080 /nfs/dbraw/zinc/32/50/80/535325080.db2.gz ZFFIWPZNAASUGD-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000261554485 535351310 /nfs/dbraw/zinc/35/13/10/535351310.db2.gz UGIBISMUQVEHSQ-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CC[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000261554485 535351313 /nfs/dbraw/zinc/35/13/13/535351313.db2.gz UGIBISMUQVEHSQ-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(C)(C)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261554485 535351315 /nfs/dbraw/zinc/35/13/15/535351315.db2.gz UGIBISMUQVEHSQ-VXGBXAGGSA-N 1 3 212.381 2.482 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000261563261 535411359 /nfs/dbraw/zinc/41/13/59/535411359.db2.gz WWNIUKMBJZUMLE-LLVKDONJSA-N 1 3 236.359 2.473 20 0 BEADHO CC[C@@H](C)C[N@H+](CC)C[C@H]1CCCNC1 ZINC000251844465 535509220 /nfs/dbraw/zinc/50/92/20/535509220.db2.gz LYOJSVUYWGMXOV-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H](C)C[N@@H+](CC)C[C@H]1CCCNC1 ZINC000251844465 535509223 /nfs/dbraw/zinc/50/92/23/535509223.db2.gz LYOJSVUYWGMXOV-OLZOCXBDSA-N 1 3 212.381 2.354 20 0 BEADHO CCc1ccccc1C[NH2+]C1CCNCC1 ZINC000082774588 535939512 /nfs/dbraw/zinc/93/95/12/535939512.db2.gz TWOWSVOEVSICKE-UHFFFAOYSA-N 1 3 218.344 2.091 20 0 BEADHO CN(C)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000179632627 535964494 /nfs/dbraw/zinc/96/44/94/535964494.db2.gz BSJGXMHTMAQUBA-LLVKDONJSA-N 1 3 224.373 2.132 20 0 BEADHO CN(C)C[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000179632627 535964499 /nfs/dbraw/zinc/96/44/99/535964499.db2.gz BSJGXMHTMAQUBA-LLVKDONJSA-N 1 3 224.373 2.132 20 0 BEADHO CC[C@H](COC)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079707274 536121778 /nfs/dbraw/zinc/12/17/78/536121778.db2.gz SVVDAXKQKLKJBE-LLVKDONJSA-N 1 3 242.407 2.310 20 0 BEADHO CC[C@H](COC)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000079707274 536121782 /nfs/dbraw/zinc/12/17/82/536121782.db2.gz SVVDAXKQKLKJBE-LLVKDONJSA-N 1 3 242.407 2.310 20 0 BEADHO CCc1cc(N2CCC([NH+](C)C)CC2)ccn1 ZINC000335585772 536144892 /nfs/dbraw/zinc/14/48/92/536144892.db2.gz XYKMMYZAGNTPGO-UHFFFAOYSA-N 1 3 233.359 2.174 20 0 BEADHO CO[C@@H]1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000261576242 536706504 /nfs/dbraw/zinc/70/65/04/536706504.db2.gz NOAVOPBXPCMETB-DRABBMOASA-N 1 3 246.354 2.288 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853240264 588728253 /nfs/dbraw/zinc/72/82/53/588728253.db2.gz OFXGKLOJWMOKPI-YUELXQCFSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853240262 588728305 /nfs/dbraw/zinc/72/83/05/588728305.db2.gz OFXGKLOJWMOKPI-SNPRPXQTSA-N 1 3 236.403 2.497 20 0 BEADHO CC[C@H]1C[C@H](C[NH2+]CC[C@@H](N)C(C)C)CCO1 ZINC000853247178 588729244 /nfs/dbraw/zinc/72/92/44/588729244.db2.gz FUHIXARPIOEQHE-HZSPNIEDSA-N 1 3 242.407 2.155 20 0 BEADHO C1C[C@H]([NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CN1 ZINC000854222333 588780261 /nfs/dbraw/zinc/78/02/61/588780261.db2.gz DQEKDOYOTGQRDT-MQYQWHSLSA-N 1 3 222.376 2.297 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348089608 582495771 /nfs/dbraw/zinc/49/57/71/582495771.db2.gz UBUDWFOKDOFFKN-BPLDGKMQSA-N 1 3 236.403 2.497 20 0 BEADHO CN1CCC(C[N@@H+]2CCCC2(C)C)CC1 ZINC000891870243 582732312 /nfs/dbraw/zinc/73/23/12/582732312.db2.gz QFOZTPURMOYAPV-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO CN1CCC(C[N@H+]2CCCC2(C)C)CC1 ZINC000891870243 582732313 /nfs/dbraw/zinc/73/23/13/582732313.db2.gz QFOZTPURMOYAPV-UHFFFAOYSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H]1CSCC[N@H+](CC2CCN(C)CC2)C1 ZINC000894009019 583269967 /nfs/dbraw/zinc/26/99/67/583269967.db2.gz JSIULDSUBAHDJG-GFCCVEGCSA-N 1 3 242.432 2.013 20 0 BEADHO C[C@H]1CSCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894009019 583269970 /nfs/dbraw/zinc/26/99/70/583269970.db2.gz JSIULDSUBAHDJG-GFCCVEGCSA-N 1 3 242.432 2.013 20 0 BEADHO C[C@H]1[C@@H](C)[N@@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000894959558 583559323 /nfs/dbraw/zinc/55/93/23/583559323.db2.gz YIRCEFYWDLFQIZ-JHJVBQTASA-N 1 3 224.392 2.305 20 0 BEADHO C[C@H]1[C@@H](C)[N@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000894959558 583559325 /nfs/dbraw/zinc/55/93/25/583559325.db2.gz YIRCEFYWDLFQIZ-JHJVBQTASA-N 1 3 224.392 2.305 20 0 BEADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1cnccn1 ZINC000894968896 583560421 /nfs/dbraw/zinc/56/04/21/583560421.db2.gz ZMGDRDMMKXIBBU-GFCCVEGCSA-N 1 3 248.374 2.002 20 0 BEADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1cnccn1 ZINC000894968896 583560422 /nfs/dbraw/zinc/56/04/22/583560422.db2.gz ZMGDRDMMKXIBBU-GFCCVEGCSA-N 1 3 248.374 2.002 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336775301 583582589 /nfs/dbraw/zinc/58/25/89/583582589.db2.gz YQLRBDVDSJKBTB-ZIAGYGMSSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccncc1CCC[NH2+]CC[C@H](C)N(C)C ZINC000895294474 583638182 /nfs/dbraw/zinc/63/81/82/583638182.db2.gz QCQUHPHQIUOGOM-AWEZNQCLSA-N 1 3 249.402 2.252 20 0 BEADHO Cc1ccncc1CCCNCC[C@H](C)[NH+](C)C ZINC000895294474 583638185 /nfs/dbraw/zinc/63/81/85/583638185.db2.gz QCQUHPHQIUOGOM-AWEZNQCLSA-N 1 3 249.402 2.252 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]CC[C@H](C)N(C)C ZINC000895295053 583639229 /nfs/dbraw/zinc/63/92/29/583639229.db2.gz ZTSJIXVTSDUAKX-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@H](CC1CCOCC1)[NH2+]CC[C@H](C)N(C)C ZINC000895292956 583639262 /nfs/dbraw/zinc/63/92/62/583639262.db2.gz DZDCXYDTVQNHRT-STQMWFEESA-N 1 3 242.407 2.121 20 0 BEADHO COC1CCC(C[NH2+]CC[C@H](C)N(C)C)CC1 ZINC000895429782 583669269 /nfs/dbraw/zinc/66/92/69/583669269.db2.gz VAALKMJAZWINNZ-HSBZDZAISA-N 1 3 242.407 2.121 20 0 BEADHO CN1CCC(C[NH+]2CC(CC3CC3)C2)CC1 ZINC000895516223 583683092 /nfs/dbraw/zinc/68/30/92/583683092.db2.gz QIUKUXPIXGUHRZ-UHFFFAOYSA-N 1 3 222.376 2.060 20 0 BEADHO CN1CCC(C[NH+]2CCC(CCF)CC2)CC1 ZINC000895740842 583714025 /nfs/dbraw/zinc/71/40/25/583714025.db2.gz RPHRUZGHISNLRQ-UHFFFAOYSA-N 1 3 242.382 2.400 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@@H]2C=CCC2)CC1(C)C ZINC000858189903 588937979 /nfs/dbraw/zinc/93/79/79/588937979.db2.gz YXLBHGNGOSXQOE-NEPJUHHUSA-N 1 3 208.349 2.167 20 0 BEADHO C[N@H+]1CC[C@H](N[C@@H]2C=CCC2)CC1(C)C ZINC000858189903 588937980 /nfs/dbraw/zinc/93/79/80/588937980.db2.gz YXLBHGNGOSXQOE-NEPJUHHUSA-N 1 3 208.349 2.167 20 0 BEADHO CN(C)CC(C)(C)C[N@H+](C)C[C@H]1CCC=CO1 ZINC000898308245 584109643 /nfs/dbraw/zinc/10/96/43/584109643.db2.gz UXYYUPFZQYEESZ-CYBMUJFWSA-N 1 3 240.391 2.199 20 0 BEADHO CN(C)CC(C)(C)C[N@@H+](C)C[C@H]1CCC=CO1 ZINC000898308245 584109646 /nfs/dbraw/zinc/10/96/46/584109646.db2.gz UXYYUPFZQYEESZ-CYBMUJFWSA-N 1 3 240.391 2.199 20 0 BEADHO CC1(C)CO[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000873281694 584128555 /nfs/dbraw/zinc/12/85/55/584128555.db2.gz OWFGOQFWLKTRLY-YNEHKIRRSA-N 1 3 240.391 2.051 20 0 BEADHO CC1(C)CO[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000873281693 584128839 /nfs/dbraw/zinc/12/88/39/584128839.db2.gz OWFGOQFWLKTRLY-XQQFMLRXSA-N 1 3 240.391 2.051 20 0 BEADHO CN1CCCC[C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000858490873 588960338 /nfs/dbraw/zinc/96/03/38/588960338.db2.gz RILDURTXFMOXBB-YUELXQCFSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000902346749 584559429 /nfs/dbraw/zinc/55/94/29/584559429.db2.gz POHNMBZDMAGIIX-NWDGAFQWSA-N 1 3 242.432 2.250 20 0 BEADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCS2)C1 ZINC000902346749 584559430 /nfs/dbraw/zinc/55/94/30/584559430.db2.gz POHNMBZDMAGIIX-NWDGAFQWSA-N 1 3 242.432 2.250 20 0 BEADHO CSCC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902328455 584561207 /nfs/dbraw/zinc/56/12/07/584561207.db2.gz KVONVHZXRKCSDP-RYUDHWBXSA-N 1 3 244.448 2.496 20 0 BEADHO CCC[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902389227 584580787 /nfs/dbraw/zinc/58/07/87/584580787.db2.gz TTYFTWRBQCYEEQ-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO CC1CC(C[NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000902395818 584585184 /nfs/dbraw/zinc/58/51/84/584585184.db2.gz FSXHTSHOLARDOA-BPCQOVAHSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000902405366 584588625 /nfs/dbraw/zinc/58/86/25/584588625.db2.gz MSXXOWBRPMAEAB-IJLUTSLNSA-N 1 3 248.370 2.398 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](C)c1ccc2c(c1)CCO2 ZINC000902405364 584588788 /nfs/dbraw/zinc/58/87/88/584588788.db2.gz MSXXOWBRPMAEAB-GRYCIOLGSA-N 1 3 248.370 2.398 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC000902428680 584595052 /nfs/dbraw/zinc/59/50/52/584595052.db2.gz GCLDVCMIOBXGLE-AVGNSLFASA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902445858 584599008 /nfs/dbraw/zinc/59/90/08/584599008.db2.gz MWDRDXSSCPGUNY-QUDJTUOCSA-N 1 3 228.405 2.128 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902445856 584599156 /nfs/dbraw/zinc/59/91/56/584599156.db2.gz MWDRDXSSCPGUNY-IACCCYARSA-N 1 3 228.405 2.128 20 0 BEADHO CCO[C@H]1C[C@H](NCC2([NH3+])CC2)C1(CC)CC ZINC000902414536 584600419 /nfs/dbraw/zinc/60/04/19/584600419.db2.gz WSYSMGYZKDLWIT-RYUDHWBXSA-N 1 3 240.391 2.051 20 0 BEADHO C1C[C@@H]2[NH2+][C@H]1C[C@H]2NC1C2CC3CC(C2)CC1C3 ZINC000902472491 584601509 /nfs/dbraw/zinc/60/15/09/584601509.db2.gz BAUASSZKSUYNOJ-JSWGIKQKSA-N 1 3 246.398 2.294 20 0 BEADHO c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1N3)C2 ZINC000902473463 584602006 /nfs/dbraw/zinc/60/20/06/584602006.db2.gz ZJYRYKHDEQEGSR-LVQVYYBASA-N 1 3 242.366 2.026 20 0 BEADHO C[C@@H]1CCC[C@@H](C)C1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474614 584602117 /nfs/dbraw/zinc/60/21/17/584602117.db2.gz GFSBCSXKHDJQJH-NJMOYASZSA-N 1 3 222.376 2.294 20 0 BEADHO CC1CCC([NH2+][C@H]2CNCC2(C)C)CC1 ZINC000902447733 584604580 /nfs/dbraw/zinc/60/45/80/584604580.db2.gz VGWPYZXQLPXZGA-MCIGGMRASA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902447503 584604687 /nfs/dbraw/zinc/60/46/87/584604687.db2.gz YPSXDOJMFFMBFA-WOPDTQHZSA-N 1 3 224.392 2.399 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000902447550 584604993 /nfs/dbraw/zinc/60/49/93/584604993.db2.gz ZLXUKTCQXDCLIZ-QWHCGFSZSA-N 1 3 222.376 2.153 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902448117 584605141 /nfs/dbraw/zinc/60/51/41/584605141.db2.gz CJTNEHCTMGCTTM-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)S2 ZINC000902448365 584605282 /nfs/dbraw/zinc/60/52/82/584605282.db2.gz ZTPDAMRZIANBNI-OFIBSPLFSA-N 1 3 240.416 2.143 20 0 BEADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@H]1C[C@H]2CCC[C@H]21 ZINC000902453080 584608112 /nfs/dbraw/zinc/60/81/12/584608112.db2.gz CCZDWXCZWPQYNP-NDBYEHHHSA-N 1 3 220.360 2.049 20 0 BEADHO C[C@@H](N[C@@H]1CCCC2(CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000902455219 584609113 /nfs/dbraw/zinc/60/91/13/584609113.db2.gz WWEKUBFVAFTXGF-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1CCCN1 ZINC000902455219 584609114 /nfs/dbraw/zinc/60/91/14/584609114.db2.gz WWEKUBFVAFTXGF-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCC=CCCC1)C1CNC1 ZINC000902454810 584609406 /nfs/dbraw/zinc/60/94/06/584609406.db2.gz IKKBDDIHQOGTPM-CHWSQXEVSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@H](N[C@@H]1C[C@H]2CCC[C@@H]21)[C@@H]1CCCC[NH2+]1 ZINC000902454867 584609581 /nfs/dbraw/zinc/60/95/81/584609581.db2.gz JATAGWDYHNROGZ-ZUWCUPBKSA-N 1 3 222.376 2.295 20 0 BEADHO CC1(C)NCC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902455780 584609707 /nfs/dbraw/zinc/60/97/07/584609707.db2.gz YYWDZILGKGLGOC-RYUDHWBXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](N[C@@H]1CCCC2(CC2)C1)[C@H]1CCC[NH2+]1 ZINC000902455218 584609746 /nfs/dbraw/zinc/60/97/46/584609746.db2.gz WWEKUBFVAFTXGF-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1CCCN1 ZINC000902455218 584609749 /nfs/dbraw/zinc/60/97/49/584609749.db2.gz WWEKUBFVAFTXGF-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO CC1(C)CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000902461202 584611369 /nfs/dbraw/zinc/61/13/69/584611369.db2.gz LXEHLFWVZSHEQL-FRRDWIJNSA-N 1 3 240.391 2.194 20 0 BEADHO C1CC1[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CCCC1 ZINC000902461761 584611789 /nfs/dbraw/zinc/61/17/89/584611789.db2.gz RHYWBBQMKLBXKP-YJNKXOJESA-N 1 3 234.387 2.438 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902462984 584612472 /nfs/dbraw/zinc/61/24/72/584612472.db2.gz YLNXSWLIRCAFNO-GSZZWUTPSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@H]1C ZINC000902465891 584613711 /nfs/dbraw/zinc/61/37/11/584613711.db2.gz HIBYDIQCAAKJHP-BBMNEWJDSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)[C@@H]1C ZINC000902465898 584613805 /nfs/dbraw/zinc/61/38/05/584613805.db2.gz HIBYDIQCAAKJHP-UYYXNEDZSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC(C(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CCC2)C1 ZINC000902469237 584615789 /nfs/dbraw/zinc/61/57/89/584615789.db2.gz ZKCITMMDLWSHNL-HZSPNIEDSA-N 1 3 234.387 2.438 20 0 BEADHO CC[C@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470482 584616852 /nfs/dbraw/zinc/61/68/52/584616852.db2.gz YOVOAPNUAKDCFW-ODXJTPSBSA-N 1 3 222.376 2.438 20 0 BEADHO Cc1nc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)c(C)s1 ZINC000902489950 584617692 /nfs/dbraw/zinc/61/76/92/584617692.db2.gz QKRAXXFNKXQDKT-AVPPRXQKSA-N 1 3 239.388 2.148 20 0 BEADHO CC[C@@H](NC[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000902482431 584623769 /nfs/dbraw/zinc/62/37/69/584623769.db2.gz LDWMDRWWCLFHEE-QWHCGFSZSA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)oc1C ZINC000902484130 584624766 /nfs/dbraw/zinc/62/47/66/584624766.db2.gz DKBUFMLMRYDNLZ-YUSALJHKSA-N 1 3 222.332 2.284 20 0 BEADHO CCc1cccnc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902488449 584626546 /nfs/dbraw/zinc/62/65/46/584626546.db2.gz YJMJWOQJCSOVQF-NQBHXWOUSA-N 1 3 233.359 2.032 20 0 BEADHO Cc1ncccc1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000902514649 584629575 /nfs/dbraw/zinc/62/95/75/584629575.db2.gz TWCHXZDUFPHWJB-HUUCEWRRSA-N 1 3 247.386 2.040 20 0 BEADHO CCNc1ccccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000902572409 584636872 /nfs/dbraw/zinc/63/68/72/584636872.db2.gz SYILZBZCOJYTEQ-CYBMUJFWSA-N 1 3 249.402 2.406 20 0 BEADHO C[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)CN(C)C ZINC000902999212 584715166 /nfs/dbraw/zinc/71/51/66/584715166.db2.gz MRAKNVWDEAUTNQ-AGIUHOORSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903079324 584724612 /nfs/dbraw/zinc/72/46/12/584724612.db2.gz LXSOTDNWKYVAEN-IZQGUMMNSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@@H]1C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903079324 584724613 /nfs/dbraw/zinc/72/46/13/584724613.db2.gz LXSOTDNWKYVAEN-IZQGUMMNSA-N 1 3 234.387 2.390 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903079324 584724614 /nfs/dbraw/zinc/72/46/14/584724614.db2.gz LXSOTDNWKYVAEN-IZQGUMMNSA-N 1 3 234.387 2.390 20 0 BEADHO C1=C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903199672 584734801 /nfs/dbraw/zinc/73/48/01/584734801.db2.gz LSYGVCMARNSSBH-YPRXJGMQSA-N 1 3 232.371 2.452 20 0 BEADHO C1=C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903199672 584734802 /nfs/dbraw/zinc/73/48/02/584734802.db2.gz LSYGVCMARNSSBH-YPRXJGMQSA-N 1 3 232.371 2.452 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1Cc2ccccc2[C@@H](C)C1 ZINC000903427275 584760967 /nfs/dbraw/zinc/76/09/67/584760967.db2.gz ULAYWIJGKMTJJS-IPYPFGDCSA-N 1 3 244.382 2.461 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCc2ccccc2[C@H]1C ZINC000903434868 584762091 /nfs/dbraw/zinc/76/20/91/584762091.db2.gz LVQGWFVZZYXVEW-NFAWXSAZSA-N 1 3 244.382 2.461 20 0 BEADHO CC(C)=CCC[NH2+][C@H]1CCNC12CCC2 ZINC000903470377 584774632 /nfs/dbraw/zinc/77/46/32/584774632.db2.gz AKHWBPDOWXSKON-LBPRGKRZSA-N 1 3 208.349 2.217 20 0 BEADHO C(C[NH2+][C@H]1CCNC12CCC2)CC1CCC1 ZINC000903471443 584775601 /nfs/dbraw/zinc/77/56/01/584775601.db2.gz JBDMKAPUKOGHPY-ZDUSSCGKSA-N 1 3 222.376 2.441 20 0 BEADHO C(CC1CCC1)[NH2+][C@H]1CCNC12CCC2 ZINC000903472904 584776208 /nfs/dbraw/zinc/77/62/08/584776208.db2.gz WPZBGJIHPIWJIV-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO COc1cccc2c1CN(C[C@@H]1CC[C@H]([NH3+])C1)C2 ZINC000903474017 584777023 /nfs/dbraw/zinc/77/70/23/584777023.db2.gz FHUMNLHQVAZKGJ-YPMHNXCESA-N 1 3 246.354 2.138 20 0 BEADHO CC1(C)[C@H](N)C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000903482635 584778856 /nfs/dbraw/zinc/77/88/56/584778856.db2.gz NLTINWCFGNZOCY-ZIAGYGMSSA-N 1 3 243.354 2.383 20 0 BEADHO CCCCN(CCOC)C[C@@H]1CCCC[NH2+]C1 ZINC000903729708 584792830 /nfs/dbraw/zinc/79/28/30/584792830.db2.gz QWPUYEXSNHXPGO-CQSZACIVSA-N 1 3 242.407 2.125 20 0 BEADHO FC1(F)C[C@]12CCN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903768790 584798379 /nfs/dbraw/zinc/79/83/79/584798379.db2.gz QVVYUOSUXMZFHI-NEPJUHHUSA-N 1 3 244.329 2.107 20 0 BEADHO C1=CC[C@@H]2C[N@@H+](C[C@H]3CCCCNC3)C[C@@H]2C1 ZINC000903778045 584799454 /nfs/dbraw/zinc/79/94/54/584799454.db2.gz JFYAOWZPFTYNKU-SOUVJXGZSA-N 1 3 234.387 2.274 20 0 BEADHO C1=CC[C@@H]2C[N@H+](C[C@H]3CCCCNC3)C[C@@H]2C1 ZINC000903778045 584799456 /nfs/dbraw/zinc/79/94/56/584799456.db2.gz JFYAOWZPFTYNKU-SOUVJXGZSA-N 1 3 234.387 2.274 20 0 BEADHO C[C@]12C[N@H+](C[C@@H]3CCCNC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827768 584805015 /nfs/dbraw/zinc/80/50/15/584805015.db2.gz WRIGUBBUYLXCDW-DGADGQDISA-N 1 3 248.414 2.354 20 0 BEADHO C[C@]12C[N@@H+](C[C@@H]3CCCNC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903827768 584805016 /nfs/dbraw/zinc/80/50/16/584805016.db2.gz WRIGUBBUYLXCDW-DGADGQDISA-N 1 3 248.414 2.354 20 0 BEADHO FCCC1C[C@H]2CC[C@@H](C1)N2C[C@H]1CC[NH2+]C1 ZINC000903831896 584806276 /nfs/dbraw/zinc/80/62/76/584806276.db2.gz MZTBQIPTSQFLHD-PBNFFQIGSA-N 1 3 240.366 2.199 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H]1CCCCNC1 ZINC000903850537 584808302 /nfs/dbraw/zinc/80/83/02/584808302.db2.gz UEVYFJRVDAXMRM-HZSPNIEDSA-N 1 3 222.376 2.320 20 0 BEADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CCCc1ccccc1 ZINC000903858696 584811036 /nfs/dbraw/zinc/81/10/36/584811036.db2.gz YEHWTIPMXIFRJD-CVEARBPZSA-N 1 3 244.382 2.432 20 0 BEADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCCC1CCC1 ZINC000903860327 584811469 /nfs/dbraw/zinc/81/14/69/584811469.db2.gz QTPIKXDUYMRZEM-ZIAGYGMSSA-N 1 3 222.376 2.380 20 0 BEADHO CC[C@]1(C)CCC[N@H+](C[C@@H](N)CC(F)F)C1 ZINC000903894985 584819957 /nfs/dbraw/zinc/81/99/57/584819957.db2.gz JBSAZXWBRUXVHG-CMPLNLGQSA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@]1(C)CCC[N@@H+](C[C@@H](N)CC(F)F)C1 ZINC000903894985 584819958 /nfs/dbraw/zinc/81/99/58/584819958.db2.gz JBSAZXWBRUXVHG-CMPLNLGQSA-N 1 3 234.334 2.481 20 0 BEADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@H]2CCCC[C@H]12 ZINC000903903513 584821301 /nfs/dbraw/zinc/82/13/01/584821301.db2.gz UXFQUUBPMLZLGQ-KKOKHZNYSA-N 1 3 246.345 2.479 20 0 BEADHO C1=C[C@H](NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000903933275 584824774 /nfs/dbraw/zinc/82/47/74/584824774.db2.gz NWMBORYYINYDCJ-AWEZNQCLSA-N 1 3 228.339 2.141 20 0 BEADHO CC1(CN2CCCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903960033 584827453 /nfs/dbraw/zinc/82/74/53/584827453.db2.gz VKOFIAMPJUBKKO-CQSZACIVSA-N 1 3 222.376 2.252 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+]CCC(C)(C)N ZINC000903939749 584828878 /nfs/dbraw/zinc/82/88/78/584828878.db2.gz LOLYALGLHDTNKE-QMMMGPOBSA-N 1 3 226.286 2.434 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000903965092 584834315 /nfs/dbraw/zinc/83/43/15/584834315.db2.gz ZWNMIGZRUZIJRT-FMKGYKFTSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000903965024 584834515 /nfs/dbraw/zinc/83/45/15/584834515.db2.gz YLAFTAMIGKZEJC-FVCCEPFGSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000903965020 584834582 /nfs/dbraw/zinc/83/45/82/584834582.db2.gz YHXJEIJDYIDYDB-SYLRKERUSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000903965026 584834684 /nfs/dbraw/zinc/83/46/84/584834684.db2.gz YLAFTAMIGKZEJC-UMSGYPCISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](CNC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000903967736 584835005 /nfs/dbraw/zinc/83/50/05/584835005.db2.gz MNSMUVSTCGFMAN-UMVBOHGHSA-N 1 3 232.371 2.235 20 0 BEADHO Cc1cnc(C(C)(C)NC[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000904329684 584865849 /nfs/dbraw/zinc/86/58/49/584865849.db2.gz QNIRCTAJZIWFQJ-AOOOYVTPSA-N 1 3 239.388 2.014 20 0 BEADHO CC[C@@](C)(CCO)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904329462 584865908 /nfs/dbraw/zinc/86/59/08/584865908.db2.gz NWHXJVAEHRXGJV-OCCSQVGLSA-N 1 3 244.423 2.281 20 0 BEADHO [NH3+][C@H]1C[C@@H](CNC2(c3ccccc3F)CC2)C1 ZINC000904329207 584866175 /nfs/dbraw/zinc/86/61/75/584866175.db2.gz MTBLUUGLZCDNEJ-PHIMTYICSA-N 1 3 234.318 2.142 20 0 BEADHO Cc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)c(CN(C)C)c1 ZINC000904360333 584871678 /nfs/dbraw/zinc/87/16/78/584871678.db2.gz ZNDIVDPZSHHDCE-XBXGTLAGSA-N 1 3 247.386 2.206 20 0 BEADHO [NH3+]CC1CC(N[C@H]2c3ccccc3CC[C@H]2F)C1 ZINC000904386022 584877849 /nfs/dbraw/zinc/87/78/49/584877849.db2.gz MZEISRLQRYBSNO-YQWPXRDNSA-N 1 3 248.345 2.339 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)c1C ZINC000904421065 584881926 /nfs/dbraw/zinc/88/19/26/584881926.db2.gz NJUFVONDSNJQKJ-JKSUJKDBSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)c1C ZINC000904421065 584881927 /nfs/dbraw/zinc/88/19/27/584881927.db2.gz NJUFVONDSNJQKJ-JKSUJKDBSA-N 1 3 244.382 2.345 20 0 BEADHO Cc1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1C ZINC000904421065 584881928 /nfs/dbraw/zinc/88/19/28/584881928.db2.gz NJUFVONDSNJQKJ-JKSUJKDBSA-N 1 3 244.382 2.345 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000817977571 584994078 /nfs/dbraw/zinc/99/40/78/584994078.db2.gz KTRWHKKLJSNFTQ-UTUOFQBUSA-N 1 3 236.359 2.472 20 0 BEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000769528245 585558636 /nfs/dbraw/zinc/55/86/36/585558636.db2.gz UVNQZSGLPGKCLI-ADPBJBESSA-N 1 3 246.345 2.493 20 0 BEADHO COc1ccc(CNC2CC[NH+](C)CC2)c(C)c1 ZINC000773050330 585630133 /nfs/dbraw/zinc/63/01/33/585630133.db2.gz HETNGDJYUOCVEF-UHFFFAOYSA-N 1 3 248.370 2.187 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 ZINC000782191546 585811718 /nfs/dbraw/zinc/81/17/18/585811718.db2.gz XAVGKFIIMJSRHD-NEPJUHHUSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C)CC2)C1 ZINC000788471716 585925451 /nfs/dbraw/zinc/92/54/51/585925451.db2.gz YVABGPKDJVUHNZ-STQMWFEESA-N 1 3 224.392 2.306 20 0 BEADHO CSC[C@H]1CCC[N@@H+]1CC1CCN(C)CC1 ZINC000788489303 585925702 /nfs/dbraw/zinc/92/57/02/585925702.db2.gz XHFBIDAJFFGHFE-CYBMUJFWSA-N 1 3 242.432 2.156 20 0 BEADHO CSC[C@H]1CCC[N@H+]1CC1CCN(C)CC1 ZINC000788489303 585925703 /nfs/dbraw/zinc/92/57/03/585925703.db2.gz XHFBIDAJFFGHFE-CYBMUJFWSA-N 1 3 242.432 2.156 20 0 BEADHO C[NH+]1CCC(CN2Cc3ccccc3C2)CC1 ZINC000790079415 585957537 /nfs/dbraw/zinc/95/75/37/585957537.db2.gz DWKZTVCNEMHNOI-UHFFFAOYSA-N 1 3 230.355 2.344 20 0 BEADHO CN(C)CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859560751 589045291 /nfs/dbraw/zinc/04/52/91/589045291.db2.gz AODPWVRZJMRPJJ-OAHLLOKOSA-N 1 3 247.386 2.464 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000809735548 586515155 /nfs/dbraw/zinc/51/51/55/586515155.db2.gz KHXBLCHEDJUCQI-VOMCLLRMSA-N 1 3 246.345 2.350 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(C(F)F)C2)C1 ZINC000809735547 586515220 /nfs/dbraw/zinc/51/52/20/586515220.db2.gz KHXBLCHEDJUCQI-UNXYVOJBSA-N 1 3 246.345 2.350 20 0 BEADHO C[C@@H](NC[C@@H](C)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000817893530 586833749 /nfs/dbraw/zinc/83/37/49/586833749.db2.gz FMSLVYFCBGGEGV-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@H]1CCCN1 ZINC000817893530 586833752 /nfs/dbraw/zinc/83/37/52/586833752.db2.gz FMSLVYFCBGGEGV-IJLUTSLNSA-N 1 3 212.381 2.399 20 0 BEADHO CSC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000817899293 586835873 /nfs/dbraw/zinc/83/58/73/586835873.db2.gz KVYLSWBWOOJYLP-MNOVXSKESA-N 1 3 230.421 2.106 20 0 BEADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC(C)(C)N ZINC000817960796 586847039 /nfs/dbraw/zinc/84/70/39/586847039.db2.gz QKDDEBWJPMBKAS-CYBMUJFWSA-N 1 3 218.344 2.309 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000817950692 586848211 /nfs/dbraw/zinc/84/82/11/586848211.db2.gz XGBYMRYTYFGEFG-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000817953716 586849167 /nfs/dbraw/zinc/84/91/67/586849167.db2.gz UDLGYNDZJDXUHO-QWRGUYRKSA-N 1 3 234.343 2.009 20 0 BEADHO CC[C@H]([NH2+]CC(C)(C)N)c1ccc2c(c1)CCO2 ZINC000817961252 586853219 /nfs/dbraw/zinc/85/32/19/586853219.db2.gz ZQVPBYCDJVAJAA-ZDUSSCGKSA-N 1 3 248.370 2.400 20 0 BEADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961985 586853404 /nfs/dbraw/zinc/85/34/04/586853404.db2.gz FTXYJVXFIRQFNX-BXUZGUMPSA-N 1 3 248.370 2.257 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc2c(c1)CCO2 ZINC000817965026 586853827 /nfs/dbraw/zinc/85/38/27/586853827.db2.gz NMRYYXXQZHWSPB-LLVKDONJSA-N 1 3 246.354 2.154 20 0 BEADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc2c(c1)CCO2 ZINC000817965027 586854249 /nfs/dbraw/zinc/85/42/49/586854249.db2.gz NMRYYXXQZHWSPB-NSHDSACASA-N 1 3 246.354 2.154 20 0 BEADHO CC[C@@H](Cc1cccs1)N[C@@H](C)C[NH3+] ZINC000817970371 586857263 /nfs/dbraw/zinc/85/72/63/586857263.db2.gz SPRJVBVPWHXFNW-UWVGGRQHSA-N 1 3 212.362 2.006 20 0 BEADHO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCNC[C@H]1C ZINC000817972124 586859096 /nfs/dbraw/zinc/85/90/96/586859096.db2.gz TWQVAQQSGIGASU-UTUOFQBUSA-N 1 3 244.448 2.494 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000817972124 586859098 /nfs/dbraw/zinc/85/90/98/586859098.db2.gz TWQVAQQSGIGASU-UTUOFQBUSA-N 1 3 244.448 2.494 20 0 BEADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](C)N ZINC000817973510 586860621 /nfs/dbraw/zinc/86/06/21/586860621.db2.gz UQMXLJZBDOZWAO-UWVGGRQHSA-N 1 3 210.296 2.132 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817979548 586861804 /nfs/dbraw/zinc/86/18/04/586861804.db2.gz LOGQAQGTVVYRME-VHSXEESVSA-N 1 3 218.410 2.234 20 0 BEADHO Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000818340722 586887259 /nfs/dbraw/zinc/88/72/59/586887259.db2.gz RIRFBVRFBRNHAK-HUUCEWRRSA-N 1 3 248.370 2.233 20 0 BEADHO C[C@@H](CC[NH3+])NCc1ccc2c(c1)CC(C)(C)O2 ZINC000841053108 587939719 /nfs/dbraw/zinc/93/97/19/587939719.db2.gz ZONDDWNLOLOVBA-NSHDSACASA-N 1 3 248.370 2.227 20 0 BEADHO C[C@H](CC[NH3+])NCc1cncc2ccccc21 ZINC000841052696 587939748 /nfs/dbraw/zinc/93/97/48/587939748.db2.gz WBVMZQQTFISJAO-LLVKDONJSA-N 1 3 229.327 2.062 20 0 BEADHO C[C@@H]([NH2+]Cc1cncc2ccccc21)[C@H](C)N ZINC000841076733 587944072 /nfs/dbraw/zinc/94/40/72/587944072.db2.gz NIKLTQSTDDILIP-WDEREUQCSA-N 1 3 229.327 2.060 20 0 BEADHO CCCCCC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000841085442 587945701 /nfs/dbraw/zinc/94/57/01/587945701.db2.gz CLDOZFCXAJZUFY-ZIAGYGMSSA-N 1 3 242.407 2.313 20 0 BEADHO Cc1cc([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)no1 ZINC000842471441 588028530 /nfs/dbraw/zinc/02/85/30/588028530.db2.gz BJRKOSCIOVSKER-GXTWGEPZSA-N 1 3 249.358 2.120 20 0 BEADHO CCn1ccnc1[C@H](C)NCCCCCC[NH3+] ZINC000843342095 588101198 /nfs/dbraw/zinc/10/11/98/588101198.db2.gz NHTBIMGUEQWRPL-LBPRGKRZSA-N 1 3 238.379 2.073 20 0 BEADHO [NH3+]C[C@@H]1CCCN(Cc2cccc3c2CCC3)C1 ZINC000844901691 588218968 /nfs/dbraw/zinc/21/89/68/588218968.db2.gz HWHLYBHVMLAFOZ-ZDUSSCGKSA-N 1 3 244.382 2.346 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)C1CCCC1 ZINC000863482755 589292795 /nfs/dbraw/zinc/29/27/95/589292795.db2.gz KTTMFCYTFFYBJJ-GFCCVEGCSA-N 1 3 208.349 2.051 20 0 BEADHO CCSCC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866704997 589514418 /nfs/dbraw/zinc/51/44/18/589514418.db2.gz RTWFRNDWAQDMMD-CYBMUJFWSA-N 1 3 244.448 2.436 20 0 BEADHO CCSCC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866704997 589514419 /nfs/dbraw/zinc/51/44/19/589514419.db2.gz RTWFRNDWAQDMMD-CYBMUJFWSA-N 1 3 244.448 2.436 20 0 BEADHO c1cc(NCCN2CC=CCC2)c(C2CC2)c[nH+]1 ZINC000872527104 589947216 /nfs/dbraw/zinc/94/72/16/589947216.db2.gz KQAJZQNZTFQFAF-UHFFFAOYSA-N 1 3 243.354 2.055 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCC[C@@H]2F)C1 ZINC000873217628 589998288 /nfs/dbraw/zinc/99/82/88/589998288.db2.gz MNCABZDSHFMZSD-WHOHXGKFSA-N 1 3 214.328 2.127 20 0 BEADHO C([NH2+][C@@]12CCC[C@H]1NCC2)C1CCCCC1 ZINC000873229647 589998696 /nfs/dbraw/zinc/99/86/96/589998696.db2.gz DGGWYXYZDJWCDC-ZIAGYGMSSA-N 1 3 222.376 2.441 20 0 BEADHO CCC[C@H](C)C[NH2+][C@]12CCC[C@H]1NCC2 ZINC000873229724 590001629 /nfs/dbraw/zinc/00/16/29/590001629.db2.gz FDZYGZAJVWAQML-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO CCC[C@H](C)C[NH2+][C@@]12CCC[C@@H]1NCC2 ZINC000873229723 590001856 /nfs/dbraw/zinc/00/18/56/590001856.db2.gz FDZYGZAJVWAQML-RWMBFGLXSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)(C)CC[NH2+][C@@]12CCC[C@@H]1NCC2 ZINC000873232336 590003043 /nfs/dbraw/zinc/00/30/43/590003043.db2.gz WSSALVBCKZKCFE-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)C1CC1 ZINC000873236015 590003978 /nfs/dbraw/zinc/00/39/78/590003978.db2.gz VVGDQBFJZVXLSO-PWSUYJOCSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NCC[C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000873236291 590004278 /nfs/dbraw/zinc/00/42/78/590004278.db2.gz VKZNJWIWFXPVHS-FRRDWIJNSA-N 1 3 242.432 2.250 20 0 BEADHO CC[C@H]([NH2+]CC[C@H]1CCSC1)[C@@H]1CCCN1 ZINC000873235514 590004315 /nfs/dbraw/zinc/00/43/15/590004315.db2.gz NIQUBURMSPTYOG-AVGNSLFASA-N 1 3 242.432 2.250 20 0 BEADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873238970 590006000 /nfs/dbraw/zinc/00/60/00/590006000.db2.gz KQSVPWGASAJAKJ-YVECIDJPSA-N 1 3 228.355 2.374 20 0 BEADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])C(C)(F)F ZINC000873250691 590008074 /nfs/dbraw/zinc/00/80/74/590008074.db2.gz GXUKGUPRXWWJJB-BDAKNGLRSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873253766 590009342 /nfs/dbraw/zinc/00/93/42/590009342.db2.gz DTKURWLVYMBUGN-ATZCPNFKSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cccc(F)c1F ZINC000873254895 590010107 /nfs/dbraw/zinc/01/01/07/590010107.db2.gz AQPZWAMSRXHWQJ-OPRDCNLKSA-N 1 3 240.297 2.353 20 0 BEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873257058 590011689 /nfs/dbraw/zinc/01/16/89/590011689.db2.gz DTKURWLVYMBUGN-FXPVBKGRSA-N 1 3 240.297 2.353 20 0 BEADHO CC[C@H](NCCC(C)(C)COC)[C@@H]1CCC[NH2+]1 ZINC000873279213 590017678 /nfs/dbraw/zinc/01/76/78/590017678.db2.gz DYZRHLZDTFRUON-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CC[C@H]([NH2+]CCC(C)(C)COC)[C@@H]1CCCN1 ZINC000873279213 590017680 /nfs/dbraw/zinc/01/76/80/590017680.db2.gz DYZRHLZDTFRUON-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO COCC(C)(C)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000873279829 590017954 /nfs/dbraw/zinc/01/79/54/590017954.db2.gz MHLSDMDNXYNZIY-OLZOCXBDSA-N 1 3 242.407 2.027 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)C(C)C ZINC000019943018 590053416 /nfs/dbraw/zinc/05/34/16/590053416.db2.gz IVCHXNXRZHUOKC-LBPRGKRZSA-N 1 3 200.370 2.352 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CC1(F)F ZINC000877073696 590278307 /nfs/dbraw/zinc/27/83/07/590278307.db2.gz QRGYZRBQUYSKBE-USZNOCQGSA-N 1 3 246.345 2.493 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC1(F)F ZINC000877073696 590278309 /nfs/dbraw/zinc/27/83/09/590278309.db2.gz QRGYZRBQUYSKBE-USZNOCQGSA-N 1 3 246.345 2.493 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000877074130 590278470 /nfs/dbraw/zinc/27/84/70/590278470.db2.gz ZSTBVNOCRSZXFP-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO C[N@@H+]1CC[C@H]2CN(CC3(C)CCC3)CC[C@H]21 ZINC000877738385 590404558 /nfs/dbraw/zinc/40/45/58/590404558.db2.gz BIZNZLSLIKUGBS-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO C[N@H+]1CC[C@H]2CN(CC3(C)CCC3)CC[C@H]21 ZINC000877738385 590404559 /nfs/dbraw/zinc/40/45/59/590404559.db2.gz BIZNZLSLIKUGBS-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877740163 590406080 /nfs/dbraw/zinc/40/60/80/590406080.db2.gz IUCZJLMTGKADSU-QWHCGFSZSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877740163 590406082 /nfs/dbraw/zinc/40/60/82/590406082.db2.gz IUCZJLMTGKADSU-QWHCGFSZSA-N 1 3 210.365 2.059 20 0 BEADHO CC[NH+]1CCC(NC2(C)CC(F)(F)C2)CC1 ZINC000877833945 590429896 /nfs/dbraw/zinc/42/98/96/590429896.db2.gz LWNIADAFVWTYMC-UHFFFAOYSA-N 1 3 232.318 2.248 20 0 BEADHO C=C/C=C\CCN1CC[C@H](C[NH+](C)C)C1 ZINC000878103597 590495391 /nfs/dbraw/zinc/49/53/91/590495391.db2.gz GMXBCEJXXFXAKP-CFHLNLSMSA-N 1 3 208.349 2.002 20 0 BEADHO CC(C)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260379 590979629 /nfs/dbraw/zinc/97/96/29/590979629.db2.gz BYXRQBBJINCDFN-GFCCVEGCSA-N 1 3 219.332 2.001 20 0 BEADHO CC(C)[N@@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880260379 590979631 /nfs/dbraw/zinc/97/96/31/590979631.db2.gz BYXRQBBJINCDFN-GFCCVEGCSA-N 1 3 219.332 2.001 20 0 BEADHO CC(C)[N@H+]1CCN(c2ccncc2)[C@H](C)C1 ZINC000880260379 590979635 /nfs/dbraw/zinc/97/96/35/590979635.db2.gz BYXRQBBJINCDFN-GFCCVEGCSA-N 1 3 219.332 2.001 20 0 BEADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](CF)C1 ZINC000880295309 590989207 /nfs/dbraw/zinc/98/92/07/590989207.db2.gz JWBVFNTVTPONEU-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](CF)C1 ZINC000880295309 590989211 /nfs/dbraw/zinc/98/92/11/590989211.db2.gz JWBVFNTVTPONEU-CHWSQXEVSA-N 1 3 228.355 2.152 20 0 BEADHO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000128602962 591140039 /nfs/dbraw/zinc/14/00/39/591140039.db2.gz DIFWHHWQDABYPI-WOPDTQHZSA-N 1 3 210.365 2.282 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2coc3ccccc23)C1 ZINC000131030553 591542787 /nfs/dbraw/zinc/54/27/87/591542787.db2.gz QCLXBQJIMLRZGB-LLVKDONJSA-N 1 3 230.311 2.213 20 0 BEADHO CN(CC[C@@H]1CCCC1(F)F)C1CC([NH3+])C1 ZINC000883429157 591660117 /nfs/dbraw/zinc/66/01/17/591660117.db2.gz NDBGVGFEITVNKA-WHXUTIOJSA-N 1 3 232.318 2.233 20 0 BEADHO C[N@H+](CC[C@@H]1CCCC1(F)F)C1CC(N)C1 ZINC000883429157 591660120 /nfs/dbraw/zinc/66/01/20/591660120.db2.gz NDBGVGFEITVNKA-WHXUTIOJSA-N 1 3 232.318 2.233 20 0 BEADHO C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC(N)C1 ZINC000883429157 591660122 /nfs/dbraw/zinc/66/01/22/591660122.db2.gz NDBGVGFEITVNKA-WHXUTIOJSA-N 1 3 232.318 2.233 20 0 BEADHO C[C@]1(C[NH3+])CCN(CC[C@H]2CCCC2(F)F)C1 ZINC000883428201 591660361 /nfs/dbraw/zinc/66/03/61/591660361.db2.gz NXIVYRLGDRRYBW-VXGBXAGGSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@]1(CN)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883428201 591660364 /nfs/dbraw/zinc/66/03/64/591660364.db2.gz NXIVYRLGDRRYBW-VXGBXAGGSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@]1(CN)CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883428201 591660367 /nfs/dbraw/zinc/66/03/67/591660367.db2.gz NXIVYRLGDRRYBW-VXGBXAGGSA-N 1 3 246.345 2.483 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1N ZINC000883430019 591661783 /nfs/dbraw/zinc/66/17/83/591661783.db2.gz LKRBPKBBQLJCIT-OUAUKWLOSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCC2(F)F)C[C@H]1N ZINC000883430019 591661786 /nfs/dbraw/zinc/66/17/86/591661786.db2.gz LKRBPKBBQLJCIT-OUAUKWLOSA-N 1 3 232.318 2.091 20 0 BEADHO CN(Cc1cccc(N)c1)C1(C[NH3+])CCCCC1 ZINC000883453962 591672889 /nfs/dbraw/zinc/67/28/89/591672889.db2.gz KKEXEOIODCNPRC-UHFFFAOYSA-N 1 3 247.386 2.362 20 0 BEADHO Cc1coc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000886155821 592164976 /nfs/dbraw/zinc/16/49/76/592164976.db2.gz PLDXADPGZQTCQP-TXEJJXNPSA-N 1 3 222.332 2.018 20 0 BEADHO C[C@H]1CC[N@H+](CCCN)[C@H]1c1ccccc1 ZINC000886857790 592370343 /nfs/dbraw/zinc/37/03/43/592370343.db2.gz ADBFLKNMYIMBQP-GXTWGEPZSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H]1CC[N@@H+](CCCN)[C@H]1c1ccccc1 ZINC000886857790 592370348 /nfs/dbraw/zinc/37/03/48/592370348.db2.gz ADBFLKNMYIMBQP-GXTWGEPZSA-N 1 3 218.344 2.418 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CCC1CC1 ZINC000887132783 592449346 /nfs/dbraw/zinc/44/93/46/592449346.db2.gz MUZLOJAIBWQRBG-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CCC1CC1 ZINC000887132783 592449349 /nfs/dbraw/zinc/44/93/49/592449349.db2.gz MUZLOJAIBWQRBG-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@]1(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@H]2C[C@H]2C1 ZINC000925720550 634460583 /nfs/dbraw/zinc/46/05/83/634460583.db2.gz YVCTWNYHYUPCGD-CUZWCKFLSA-N 1 3 246.398 2.009 20 0 BEADHO CC[C@H](NC[C@@H]1C=CCC1)[C@@H]1CCC[NH2+]1 ZINC000925731450 634563818 /nfs/dbraw/zinc/56/38/18/634563818.db2.gz KSEGKQQYKIEFDB-AGIUHOORSA-N 1 3 208.349 2.073 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000925732457 634574459 /nfs/dbraw/zinc/57/44/59/634574459.db2.gz BEGUKURZNOSUFY-OLZOCXBDSA-N 1 3 222.376 2.284 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(CC2CC2)CC1 ZINC000925733406 634579974 /nfs/dbraw/zinc/57/99/74/634579974.db2.gz IOJAWUNQCJVQOR-AAEUAGOBSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CCCC[C@H]1C ZINC000925783652 635292836 /nfs/dbraw/zinc/29/28/36/635292836.db2.gz KOCIZMIMSLXSNA-RKQHYHRCSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H](N[C@H]1CCS[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000925861587 635557592 /nfs/dbraw/zinc/55/75/92/635557592.db2.gz QJQXRVLDKSDYJN-MROQNXINSA-N 1 3 242.432 2.391 20 0 BEADHO C(NC(C1CC1)C1CC1)[C@H]1CCCCC[NH2+]1 ZINC000081080934 631390370 /nfs/dbraw/zinc/39/03/70/631390370.db2.gz GZDFDLWUBNZPTC-CYBMUJFWSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](CNC[C@@H]1CCC=CO1)C[NH+]1CCCC1 ZINC000062078929 631646075 /nfs/dbraw/zinc/64/60/75/631646075.db2.gz FYJRGXBPNXZONH-KGLIPLIRSA-N 1 3 238.375 2.001 20 0 BEADHO [NH3+]CC[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000125546679 632108750 /nfs/dbraw/zinc/10/87/50/632108750.db2.gz LZXFCZHVMWBTOP-SNVBAGLBSA-N 1 3 240.297 2.136 20 0 BEADHO CC[C@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000219757721 632566470 /nfs/dbraw/zinc/56/64/70/632566470.db2.gz DFFDOAQXEMRDRC-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000219757721 632566478 /nfs/dbraw/zinc/56/64/78/632566478.db2.gz DFFDOAQXEMRDRC-STQMWFEESA-N 1 3 210.365 2.251 20 0 BEADHO [NH3+][C@H]1C[C@H](NCCCCCCO)c2ccccc21 ZINC000236318834 632919067 /nfs/dbraw/zinc/91/90/67/632919067.db2.gz NGRDHUCKRKXIIA-GJZGRUSLSA-N 1 3 248.370 2.274 20 0 BEADHO CCN1CC[C@@H](C[NH2+]CC2(C)CCCC2)C1 ZINC000309372363 632987498 /nfs/dbraw/zinc/98/74/98/632987498.db2.gz PPCMUMIGCRFXDA-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CSC[C@@H](C)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925502366 633826497 /nfs/dbraw/zinc/82/64/97/633826497.db2.gz GVEBZRFFQQYYCC-WYUUTHIRSA-N 1 3 242.432 2.104 20 0 BEADHO CSC[C@@H](C)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925502366 633826500 /nfs/dbraw/zinc/82/65/00/633826500.db2.gz GVEBZRFFQQYYCC-WYUUTHIRSA-N 1 3 242.432 2.104 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925503612 633830745 /nfs/dbraw/zinc/83/07/45/633830745.db2.gz KQIRACGWZXBUFZ-UPJWGTAASA-N 1 3 240.391 2.051 20 0 BEADHO CCCC[C@H](COC)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925503612 633830749 /nfs/dbraw/zinc/83/07/49/633830749.db2.gz KQIRACGWZXBUFZ-UPJWGTAASA-N 1 3 240.391 2.051 20 0 BEADHO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925563179 634048487 /nfs/dbraw/zinc/04/84/87/634048487.db2.gz SKYBFKMYKVEGMV-KGLIPLIRSA-N 1 3 247.386 2.386 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925581044 634086297 /nfs/dbraw/zinc/08/62/97/634086297.db2.gz VBWBDQGCLZCBFG-LLVKDONJSA-N 1 3 208.349 2.051 20 0 BEADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1Cc2ccccc2C1 ZINC000925602216 634129978 /nfs/dbraw/zinc/12/99/78/634129978.db2.gz RLYYFKFPMNUXGD-WBMJQRKESA-N 1 3 244.382 2.132 20 0 BEADHO C1CC2(C1)[NH2+]CC[C@H]2N[C@@H]1CC2CCC1CC2 ZINC000925675902 634263496 /nfs/dbraw/zinc/26/34/96/634263496.db2.gz HDWFSKYGQBKRSC-NWINJMCUSA-N 1 3 234.387 2.439 20 0 BEADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000925675902 634263504 /nfs/dbraw/zinc/26/35/04/634263504.db2.gz HDWFSKYGQBKRSC-NWINJMCUSA-N 1 3 234.387 2.439 20 0 BEADHO [NH3+]C[C@@H]1CCCN1c1ccnc2ccccc21 ZINC000053663508 634292557 /nfs/dbraw/zinc/29/25/57/634292557.db2.gz LKXQHLIREUTJRE-NSHDSACASA-N 1 3 227.311 2.162 20 0 BEADHO FC1(F)CC(CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925684978 634294357 /nfs/dbraw/zinc/29/43/57/634294357.db2.gz KARURDWAVCVFTH-LLVKDONJSA-N 1 3 244.329 2.296 20 0 BEADHO COC[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000925874432 635595279 /nfs/dbraw/zinc/59/52/79/635595279.db2.gz RKCNJGZZEZPBHY-RDBSUJKOSA-N 1 3 242.407 2.025 20 0 BEADHO [NH3+][C@H]1C[C@H](NCc2cccc3ccccc32)C1 ZINC000906507791 638179642 /nfs/dbraw/zinc/17/96/42/638179642.db2.gz CJHPESILQXIRFR-HDJSIYSDSA-N 1 3 226.323 2.419 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000906518845 638187015 /nfs/dbraw/zinc/18/70/15/638187015.db2.gz RTHCOXLWLZVHKK-VGWMRTNUSA-N 1 3 244.382 2.477 20 0 BEADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000906518842 638187065 /nfs/dbraw/zinc/18/70/65/638187065.db2.gz RTHCOXLWLZVHKK-JONQDZQNSA-N 1 3 244.382 2.477 20 0 BEADHO CC(C)c1ccc(CCN[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000906519359 638189768 /nfs/dbraw/zinc/18/97/68/638189768.db2.gz ZPRSMFGJRPRUME-SHTZXODSSA-N 1 3 232.371 2.432 20 0 BEADHO CC(C)c1ccc(CC[NH2+][C@H]2C[C@H](N)C2)cc1 ZINC000906519359 638189776 /nfs/dbraw/zinc/18/97/76/638189776.db2.gz ZPRSMFGJRPRUME-SHTZXODSSA-N 1 3 232.371 2.432 20 0 BEADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000129393904 639987219 /nfs/dbraw/zinc/98/72/19/639987219.db2.gz UDXLALDOCZBSJW-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H](CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1ccccc1 ZINC000931279461 640132661 /nfs/dbraw/zinc/13/26/61/640132661.db2.gz JOSMSAJCDKPOOD-ARLBYUKCSA-N 1 3 244.382 2.282 20 0 BEADHO C[NH+]1C[C@]2(C)CN(CCCCF)C[C@@]2(C)C1 ZINC000931314353 640140875 /nfs/dbraw/zinc/14/08/75/640140875.db2.gz MNIQBESPNFNZCJ-CHWSQXEVSA-N 1 3 228.355 2.010 20 0 BEADHO C[N@@H+]1C[C@@]2(C)CN(CCCCCF)C[C@@]2(C)C1 ZINC000931313851 640153284 /nfs/dbraw/zinc/15/32/84/640153284.db2.gz GYKSFOBCNXWWQY-OKILXGFUSA-N 1 3 242.382 2.400 20 0 BEADHO C[N@H+]1C[C@@]2(C)CN(CCCCCF)C[C@@]2(C)C1 ZINC000931313851 640153296 /nfs/dbraw/zinc/15/32/96/640153296.db2.gz GYKSFOBCNXWWQY-OKILXGFUSA-N 1 3 242.382 2.400 20 0 BEADHO CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931439740 640206767 /nfs/dbraw/zinc/20/67/67/640206767.db2.gz YRIZVRAFIVSCAM-FRRDWIJNSA-N 1 3 210.365 2.059 20 0 BEADHO CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931439740 640206774 /nfs/dbraw/zinc/20/67/74/640206774.db2.gz YRIZVRAFIVSCAM-FRRDWIJNSA-N 1 3 210.365 2.059 20 0 BEADHO CSCC[C@H](C)N(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000222341599 640482526 /nfs/dbraw/zinc/48/25/26/640482526.db2.gz CITRJNVQDBHUGK-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000222341599 640482533 /nfs/dbraw/zinc/48/25/33/640482533.db2.gz CITRJNVQDBHUGK-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO CSCC[C@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000222341599 640482541 /nfs/dbraw/zinc/48/25/41/640482541.db2.gz CITRJNVQDBHUGK-STQMWFEESA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000222612823 640494512 /nfs/dbraw/zinc/49/45/12/640494512.db2.gz SAQMVCPTEJXAAY-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000222612823 640494522 /nfs/dbraw/zinc/49/45/22/640494522.db2.gz SAQMVCPTEJXAAY-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@H]1CC[N@H+](CCCNC2CC2)C1 ZINC000166049797 640608309 /nfs/dbraw/zinc/60/83/09/640608309.db2.gz POUWHQWQTCVVHM-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)[C@H]1CC[N@@H+](CCCNC2CC2)C1 ZINC000166049797 640608314 /nfs/dbraw/zinc/60/83/14/640608314.db2.gz POUWHQWQTCVVHM-LBPRGKRZSA-N 1 3 210.365 2.106 20 0 BEADHO [NH3+]C[C@H]1CCN(CCSc2ccccc2)C1 ZINC000050249344 711493805 /nfs/dbraw/zinc/49/38/05/711493805.db2.gz UKEZDFJHILYANW-GFCCVEGCSA-N 1 3 236.384 2.059 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000227074615 640815359 /nfs/dbraw/zinc/81/53/59/640815359.db2.gz NOGGAAPXNSETRA-FRRDWIJNSA-N 1 3 208.349 2.060 20 0 BEADHO CC(C)[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228738446 640892576 /nfs/dbraw/zinc/89/25/76/640892576.db2.gz UHPWXOGUEXGRPN-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000228738446 640892580 /nfs/dbraw/zinc/89/25/80/640892580.db2.gz UHPWXOGUEXGRPN-KBPBESRZSA-N 1 3 224.392 2.354 20 0 BEADHO CC(C)(CNC1CC([NH3+])C1)c1ccccc1 ZINC000087651680 640957194 /nfs/dbraw/zinc/95/71/94/640957194.db2.gz VOYXNYFXWHDYLH-UHFFFAOYSA-N 1 3 218.344 2.044 20 0 BEADHO CC(C)(C[NH2+]C1CC(N)C1)c1ccccc1 ZINC000087651680 640957195 /nfs/dbraw/zinc/95/71/95/640957195.db2.gz VOYXNYFXWHDYLH-UHFFFAOYSA-N 1 3 218.344 2.044 20 0 BEADHO NC1CC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000087651571 640957260 /nfs/dbraw/zinc/95/72/60/640957260.db2.gz UXARPYILYBLTDX-PRWFHZCQSA-N 1 3 236.281 2.187 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CC1)CN1CCCC1 ZINC000062077351 641018660 /nfs/dbraw/zinc/01/86/60/641018660.db2.gz IADIBYAEKCXQIV-NEPJUHHUSA-N 1 3 210.365 2.106 20 0 BEADHO CC1CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000062861590 641099903 /nfs/dbraw/zinc/09/99/03/641099903.db2.gz TYBCDKCOVKUTEW-CYBMUJFWSA-N 1 3 210.365 2.108 20 0 BEADHO C[N@H+](C[C@]1(C)CCCNC1)C1CCCC1 ZINC000062861916 641100018 /nfs/dbraw/zinc/10/00/18/641100018.db2.gz XLABPQBFVKBUHS-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@@H+](C[C@]1(C)CCCNC1)C1CCCC1 ZINC000062861916 641100023 /nfs/dbraw/zinc/10/00/23/641100023.db2.gz XLABPQBFVKBUHS-CYBMUJFWSA-N 1 3 210.365 2.251 20 0 BEADHO C[N@H+](CC(C)(C)C)C[C@@]1(C)CCCNC1 ZINC000062867736 641102559 /nfs/dbraw/zinc/10/25/59/641102559.db2.gz FVJRTXAQENZGRP-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO C[N@@H+](CC(C)(C)C)C[C@@]1(C)CCCNC1 ZINC000062867736 641102568 /nfs/dbraw/zinc/10/25/68/641102568.db2.gz FVJRTXAQENZGRP-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CN(CC(C)(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062867736 641102573 /nfs/dbraw/zinc/10/25/73/641102573.db2.gz FVJRTXAQENZGRP-ZDUSSCGKSA-N 1 3 212.381 2.354 20 0 BEADHO CC1(C)CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000062868017 641102984 /nfs/dbraw/zinc/10/29/84/641102984.db2.gz HJSONDIXWQOZLQ-AWEZNQCLSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000093066492 642454336 /nfs/dbraw/zinc/45/43/36/642454336.db2.gz KBXRDTDIEWVEPK-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCC1 ZINC000233019508 642643727 /nfs/dbraw/zinc/64/37/27/642643727.db2.gz WEZYVDQDMLRODJ-VXGBXAGGSA-N 1 3 210.365 2.284 20 0 BEADHO [NH3+]CC[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000097918783 643213139 /nfs/dbraw/zinc/21/31/39/643213139.db2.gz IOZDSSHQKFRSNE-SNVBAGLBSA-N 1 3 240.297 2.136 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)NCc1ncc[nH]1 ZINC000049714543 643219748 /nfs/dbraw/zinc/21/97/48/643219748.db2.gz MTMLPZAROAEYDS-GFCCVEGCSA-N 1 3 238.379 2.010 20 0 BEADHO C[N@H+](CC1CCCC1)C[C@]1(C)CCCNC1 ZINC000082493389 643327089 /nfs/dbraw/zinc/32/70/89/643327089.db2.gz ADEUNTZEQHKVIE-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[N@@H+](CC1CCCC1)C[C@]1(C)CCCNC1 ZINC000082493389 643327091 /nfs/dbraw/zinc/32/70/91/643327091.db2.gz ADEUNTZEQHKVIE-CQSZACIVSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CCCC1 ZINC000084222273 643650115 /nfs/dbraw/zinc/65/01/15/643650115.db2.gz LOBYTSRXOANCBY-UHTWSYAYSA-N 1 3 210.365 2.282 20 0 BEADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCOCC2)c2ccccc21 ZINC000261554998 643663398 /nfs/dbraw/zinc/66/33/98/643663398.db2.gz BEQSXUGPDHYSOC-KCPJHIHWSA-N 1 3 246.354 2.290 20 0 BEADHO [NH3+]C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000050249970 643664968 /nfs/dbraw/zinc/66/49/68/643664968.db2.gz ZYEJQNJGRANOMI-NSHDSACASA-N 1 3 227.311 2.020 20 0 BEADHO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000922140083 643870411 /nfs/dbraw/zinc/87/04/11/643870411.db2.gz NKCNZJDKEHEOEX-FRRDWIJNSA-N 1 3 244.448 2.448 20 0 BEADHO C[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H]1CCCO1 ZINC000131948594 644149941 /nfs/dbraw/zinc/14/99/41/644149941.db2.gz CBNLGONBJZJDIS-HPEDKQMDSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H]1CN(CC2CCC3(CC3)CC2)C[C@@H]1[NH3+] ZINC000923365555 644376251 /nfs/dbraw/zinc/37/62/51/644376251.db2.gz FXYOPPCJFRBJHW-AAEUAGOBSA-N 1 3 222.376 2.236 20 0 BEADHO CCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923420264 644424597 /nfs/dbraw/zinc/42/45/97/644424597.db2.gz HFLSFXKHIWXGLI-XQQFMLRXSA-N 1 3 242.407 2.033 20 0 BEADHO CCCCCC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923420264 644424598 /nfs/dbraw/zinc/42/45/98/644424598.db2.gz HFLSFXKHIWXGLI-XQQFMLRXSA-N 1 3 242.407 2.033 20 0 BEADHO Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000086402337 644465826 /nfs/dbraw/zinc/46/58/26/644465826.db2.gz JSINSVLNEQRIHX-KGLIPLIRSA-N 1 3 218.344 2.355 20 0 BEADHO Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000086402331 644466957 /nfs/dbraw/zinc/46/69/57/644466957.db2.gz JSINSVLNEQRIHX-UONOGXRCSA-N 1 3 218.344 2.355 20 0 BEADHO Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000086402335 644467222 /nfs/dbraw/zinc/46/72/22/644467222.db2.gz JSINSVLNEQRIHX-ZIAGYGMSSA-N 1 3 218.344 2.355 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518951 644483145 /nfs/dbraw/zinc/48/31/45/644483145.db2.gz HIWPOJOMFQZTPR-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923518951 644483147 /nfs/dbraw/zinc/48/31/47/644483147.db2.gz HIWPOJOMFQZTPR-APIJFGDWSA-N 1 3 236.403 2.354 20 0 BEADHO CCc1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923521173 644483568 /nfs/dbraw/zinc/48/35/68/644483568.db2.gz JSSGDBVLCQUQJF-JKSUJKDBSA-N 1 3 244.382 2.290 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923532716 644490663 /nfs/dbraw/zinc/49/06/63/644490663.db2.gz GENNGJWAGANDAJ-LXTVHRRPSA-N 1 3 234.387 2.251 20 0 BEADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923532716 644490664 /nfs/dbraw/zinc/49/06/64/644490664.db2.gz GENNGJWAGANDAJ-LXTVHRRPSA-N 1 3 234.387 2.251 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)[C@H]1C ZINC000245224840 644517135 /nfs/dbraw/zinc/51/71/35/644517135.db2.gz GLILUBLVMICMFH-MDZLAQPJSA-N 1 3 210.365 2.153 20 0 BEADHO CCOc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093214533 644682784 /nfs/dbraw/zinc/68/27/84/644682784.db2.gz YGBASGVGNRNHMI-KBPBESRZSA-N 1 3 248.370 2.445 20 0 BEADHO C[C@H]1C[C@@H]([N@H+](C)Cc2ccoc2)CCN1C ZINC000093644822 644696554 /nfs/dbraw/zinc/69/65/54/644696554.db2.gz HPWGCJQESPUINC-AAEUAGOBSA-N 1 3 222.332 2.194 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccoc2)CCN1C ZINC000093644822 644696563 /nfs/dbraw/zinc/69/65/63/644696563.db2.gz HPWGCJQESPUINC-AAEUAGOBSA-N 1 3 222.332 2.194 20 0 BEADHO CCOc1cccc([C@H](C)[NH2+]C[C@H](N)CC)c1 ZINC000817980374 644992198 /nfs/dbraw/zinc/99/21/98/644992198.db2.gz UKYPVHLNBUGRDG-WCQYABFASA-N 1 3 236.359 2.473 20 0 BEADHO CCOc1cccc([C@@H](C)[NH2+]C[C@H](N)CC)c1 ZINC000817980373 644992358 /nfs/dbraw/zinc/99/23/58/644992358.db2.gz UKYPVHLNBUGRDG-DGCLKSJQSA-N 1 3 236.359 2.473 20 0 BEADHO CCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925487328 645465547 /nfs/dbraw/zinc/46/55/47/645465547.db2.gz CIAUVUZZQVLPHM-CHWSQXEVSA-N 1 3 210.365 2.154 20 0 BEADHO CC(C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925493104 645705700 /nfs/dbraw/zinc/70/57/00/645705700.db2.gz JZPACIXYLGYUFR-WOPDTQHZSA-N 1 3 210.365 2.009 20 0 BEADHO CSCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000924550555 646066665 /nfs/dbraw/zinc/06/66/65/646066665.db2.gz GTZQNLLPHRIIJP-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CSCCNC1CC[NH+](CCC(C)C)CC1 ZINC000924550555 646066670 /nfs/dbraw/zinc/06/66/70/646066670.db2.gz GTZQNLLPHRIIJP-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC=CCC1 ZINC000924805589 646113637 /nfs/dbraw/zinc/11/36/37/646113637.db2.gz KPOXQLILXAGQCI-JKXDFHQYSA-N 1 3 234.387 2.273 20 0 BEADHO CC(C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925492072 646299542 /nfs/dbraw/zinc/29/95/42/646299542.db2.gz FGZJGNXGXAAVML-ZIAGYGMSSA-N 1 3 224.392 2.400 20 0 BEADHO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925520920 646312194 /nfs/dbraw/zinc/31/21/94/646312194.db2.gz BHRLHNMEULFCHB-IJLUTSLNSA-N 1 3 240.416 2.145 20 0 BEADHO CCC1(C[NH2+][C@@H]2CCNC23CCC3)CCC1 ZINC000925543603 646325124 /nfs/dbraw/zinc/32/51/24/646325124.db2.gz VPTLYNILSMONPV-GFCCVEGCSA-N 1 3 222.376 2.441 20 0 BEADHO CC1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925575341 646341160 /nfs/dbraw/zinc/34/11/60/646341160.db2.gz FPEMWAVFXCAGQH-WOPDTQHZSA-N 1 3 222.376 2.153 20 0 BEADHO C1=CC[C@@H](C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925618856 646365026 /nfs/dbraw/zinc/36/50/26/646365026.db2.gz YQMICPZXFDFKHX-OLZOCXBDSA-N 1 3 220.360 2.217 20 0 BEADHO FCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925621069 646367078 /nfs/dbraw/zinc/36/70/78/646367078.db2.gz YHEWPQARQHKHSR-STQMWFEESA-N 1 3 228.355 2.104 20 0 BEADHO Cc1cncc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925629720 646373799 /nfs/dbraw/zinc/37/37/99/646373799.db2.gz NLSKUEAOQWTIMX-UONOGXRCSA-N 1 3 247.386 2.386 20 0 BEADHO CS[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)C(C)(C)C ZINC000925637740 646380868 /nfs/dbraw/zinc/38/08/68/646380868.db2.gz QWPBZPVLUFSIRP-GRYCIOLGSA-N 1 3 244.448 2.494 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC2CC(F)(F)C2)C1 ZINC000925651485 646391224 /nfs/dbraw/zinc/39/12/24/646391224.db2.gz DKHKASJHYIMKGR-RKDXNWHRSA-N 1 3 232.318 2.280 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCCSC1 ZINC000925672816 646401047 /nfs/dbraw/zinc/40/10/47/646401047.db2.gz KGQNEDAHQVJQEL-VXGBXAGGSA-N 1 3 240.416 2.004 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCCSC1 ZINC000925672814 646402476 /nfs/dbraw/zinc/40/24/76/646402476.db2.gz KGQNEDAHQVJQEL-NWDGAFQWSA-N 1 3 240.416 2.004 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1CCCSC1 ZINC000925672813 646402823 /nfs/dbraw/zinc/40/28/23/646402823.db2.gz KGQNEDAHQVJQEL-NEPJUHHUSA-N 1 3 240.416 2.004 20 0 BEADHO CC(C)(F)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925708465 646431925 /nfs/dbraw/zinc/43/19/25/646431925.db2.gz MDQHRPAXQYDVFG-WOPDTQHZSA-N 1 3 242.382 2.491 20 0 BEADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000925708297 646432634 /nfs/dbraw/zinc/43/26/34/646432634.db2.gz KPBWJDUKMZSCPP-YIYPIFLZSA-N 1 3 234.387 2.297 20 0 BEADHO CC(C)(F)CN[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925723881 646438200 /nfs/dbraw/zinc/43/82/00/646438200.db2.gz DDXJPGPQWXTNOJ-ZJUUUORDSA-N 1 3 216.344 2.230 20 0 BEADHO Cc1ncccc1CN[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925718993 646442762 /nfs/dbraw/zinc/44/27/62/646442762.db2.gz PBHUBFGODSDBBO-ZIAGYGMSSA-N 1 3 247.386 2.386 20 0 BEADHO CC1(C)[C@H]([NH2+]C[C@@H]2C=CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925731016 646453409 /nfs/dbraw/zinc/45/34/09/646453409.db2.gz IURIOVSCAXCGHD-YIYPIFLZSA-N 1 3 234.387 2.319 20 0 BEADHO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925733357 646456329 /nfs/dbraw/zinc/45/63/29/646456329.db2.gz HGSDDFFXJLZTFL-DGCLKSJQSA-N 1 3 222.376 2.297 20 0 BEADHO C1=CCCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925778891 646477834 /nfs/dbraw/zinc/47/78/34/646477834.db2.gz GXRUSBWVMKTMTP-ZDUSSCGKSA-N 1 3 220.360 2.359 20 0 BEADHO C1=CCCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925778891 646477837 /nfs/dbraw/zinc/47/78/37/646477837.db2.gz GXRUSBWVMKTMTP-ZDUSSCGKSA-N 1 3 220.360 2.359 20 0 BEADHO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000925785503 646481702 /nfs/dbraw/zinc/48/17/02/646481702.db2.gz PLJRYAGMRCVNHY-FVCCEPFGSA-N 1 3 212.381 2.399 20 0 BEADHO COC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)C(C)C ZINC000925875110 646526418 /nfs/dbraw/zinc/52/64/18/646526418.db2.gz ZRAWAQILYCUPEK-IHRRRGAJSA-N 1 3 242.407 2.012 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CC(F)(F)C1)CN(C)C ZINC000926475778 646653883 /nfs/dbraw/zinc/65/38/83/646653883.db2.gz WRQLENAYLVIRRR-ZJUUUORDSA-N 1 3 234.334 2.208 20 0 BEADHO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCNC1CC1 ZINC000136085702 711684204 /nfs/dbraw/zinc/68/42/04/711684204.db2.gz BPMBZLJZZDIQJM-YPMHNXCESA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H]1CC[C@@H](C)[N@H+]1CCCNC1CC1 ZINC000136085702 711684207 /nfs/dbraw/zinc/68/42/07/711684207.db2.gz BPMBZLJZZDIQJM-YPMHNXCESA-N 1 3 210.365 2.391 20 0 BEADHO [NH3+]CC[C@@H]1CCCCN1CCc1cccs1 ZINC000069721206 711893358 /nfs/dbraw/zinc/89/33/58/711893358.db2.gz HWOBIDWYDQEPSB-LBPRGKRZSA-N 1 3 238.400 2.494 20 0 BEADHO NCC[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000069721206 711893360 /nfs/dbraw/zinc/89/33/60/711893360.db2.gz HWOBIDWYDQEPSB-LBPRGKRZSA-N 1 3 238.400 2.494 20 0 BEADHO NCC[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000069721206 711893369 /nfs/dbraw/zinc/89/33/69/711893369.db2.gz HWOBIDWYDQEPSB-LBPRGKRZSA-N 1 3 238.400 2.494 20 0 BEADHO CSC1CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000706929181 712161711 /nfs/dbraw/zinc/16/17/11/712161711.db2.gz OTPLVKLXKORXCO-IFWUJCSASA-N 1 3 240.416 2.097 20 0 BEADHO CSC1CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000706929181 712161714 /nfs/dbraw/zinc/16/17/14/712161714.db2.gz OTPLVKLXKORXCO-IFWUJCSASA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1NCC(C)(C)C(C)(F)F ZINC000711245146 712291440 /nfs/dbraw/zinc/29/14/40/712291440.db2.gz JRDVKEQCLGZEKO-VHSXEESVSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C(C)(F)F ZINC000711245143 712291448 /nfs/dbraw/zinc/29/14/48/712291448.db2.gz JRDVKEQCLGZEKO-UWVGGRQHSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@H](NC[C@@H]1C=CCC1)[C@H]1CCCC[NH2+]1 ZINC000711719203 712319375 /nfs/dbraw/zinc/31/93/75/712319375.db2.gz LTDYEMPQCXLTDJ-YNEHKIRRSA-N 1 3 208.349 2.073 20 0 BEADHO C=C/C=C/CC[NH2+][C@H]1CCNCC1(C)C ZINC000713464419 712460841 /nfs/dbraw/zinc/46/08/41/712460841.db2.gz JSGYHVNZIVNYSQ-FYJFLYSWSA-N 1 3 208.349 2.096 20 0 BEADHO C[N@H+](CCCN)CC[C@@H]1CCCC1(F)F ZINC000713979941 712475983 /nfs/dbraw/zinc/47/59/83/712475983.db2.gz BDZNSHMDTCWDLS-JTQLQIEISA-N 1 3 220.307 2.093 20 0 BEADHO C[N@@H+](CCCN)CC[C@@H]1CCCC1(F)F ZINC000713979941 712475985 /nfs/dbraw/zinc/47/59/85/712475985.db2.gz BDZNSHMDTCWDLS-JTQLQIEISA-N 1 3 220.307 2.093 20 0 BEADHO CN(CCC[NH3+])CC[C@@H]1CCCC1(F)F ZINC000713979941 712475987 /nfs/dbraw/zinc/47/59/87/712475987.db2.gz BDZNSHMDTCWDLS-JTQLQIEISA-N 1 3 220.307 2.093 20 0 BEADHO CC1(C)CCC[C@H](C[N@@H+]2CCCC[C@H]2CN)O1 ZINC000714332676 712482175 /nfs/dbraw/zinc/48/21/75/712482175.db2.gz XOONDTDWMVOKRK-QWHCGFSZSA-N 1 3 240.391 2.147 20 0 BEADHO CC1(C)CCC[C@H](C[N@H+]2CCCC[C@H]2CN)O1 ZINC000714332676 712482178 /nfs/dbraw/zinc/48/21/78/712482178.db2.gz XOONDTDWMVOKRK-QWHCGFSZSA-N 1 3 240.391 2.147 20 0 BEADHO CC1(C)C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1N ZINC000714351302 712483213 /nfs/dbraw/zinc/48/32/13/712483213.db2.gz YRIDXYSOIDXIMO-RYUDHWBXSA-N 1 3 240.391 2.003 20 0 BEADHO CC1(C)C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1N ZINC000714351302 712483215 /nfs/dbraw/zinc/48/32/15/712483215.db2.gz YRIDXYSOIDXIMO-RYUDHWBXSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CCCS1 ZINC000715656998 712529851 /nfs/dbraw/zinc/52/98/51/712529851.db2.gz ILGHXRHUSLGXFB-SRVKXCTJSA-N 1 3 228.405 2.002 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000716412072 712559112 /nfs/dbraw/zinc/55/91/12/712559112.db2.gz GOOWIQICFNLJSZ-OLZOCXBDSA-N 1 3 210.365 2.284 20 0 BEADHO CC(F)(F)CCCN1CCC[C@@H](C[NH3+])C1 ZINC000718570711 712775165 /nfs/dbraw/zinc/77/51/65/712775165.db2.gz KKNRIBJQRJOSPO-JTQLQIEISA-N 1 3 220.307 2.093 20 0 BEADHO COCC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000718668908 712776859 /nfs/dbraw/zinc/77/68/59/712776859.db2.gz YWBVHJRVHODQQG-OLZOCXBDSA-N 1 3 242.407 2.156 20 0 BEADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000381531625 710651192 /nfs/dbraw/zinc/65/11/92/710651192.db2.gz ZIPXNWAKXMKKGR-MGPQQGTHSA-N 1 3 224.392 2.495 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CC[C@H]2C)C1 ZINC000381531623 710651527 /nfs/dbraw/zinc/65/15/27/710651527.db2.gz ZIPXNWAKXMKKGR-HZSPNIEDSA-N 1 3 224.392 2.495 20 0 BEADHO CC/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000384830621 710998540 /nfs/dbraw/zinc/99/85/40/710998540.db2.gz GTVIBDOPYJZRDY-HSRIHCBGSA-N 1 3 208.349 2.167 20 0 BEADHO CC/C=C/CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000384830621 710998543 /nfs/dbraw/zinc/99/85/43/710998543.db2.gz GTVIBDOPYJZRDY-HSRIHCBGSA-N 1 3 208.349 2.167 20 0 BEADHO CC/C=C/CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000384830621 710998546 /nfs/dbraw/zinc/99/85/46/710998546.db2.gz GTVIBDOPYJZRDY-HSRIHCBGSA-N 1 3 208.349 2.167 20 0 BEADHO C(CNC1CC1)C[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380668795 712902269 /nfs/dbraw/zinc/90/22/69/712902269.db2.gz KHAIKQRZRLTUNQ-BETUJISGSA-N 1 3 208.349 2.145 20 0 BEADHO C(CNC1CC1)C[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000380668795 712902270 /nfs/dbraw/zinc/90/22/70/712902270.db2.gz KHAIKQRZRLTUNQ-BETUJISGSA-N 1 3 208.349 2.145 20 0 BEADHO C[C@H]1CCSCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000385583962 711014839 /nfs/dbraw/zinc/01/48/39/711014839.db2.gz XYKQVEMFCLBLRE-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CCSCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000385583962 711014843 /nfs/dbraw/zinc/01/48/43/711014843.db2.gz XYKQVEMFCLBLRE-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C[C@H]1CCSCCN1C[C@@]1(C)CCC[NH2+]C1 ZINC000385583962 711014847 /nfs/dbraw/zinc/01/48/47/711014847.db2.gz XYKQVEMFCLBLRE-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(C1CC1)C1CC1 ZINC000385586986 711014874 /nfs/dbraw/zinc/01/48/74/711014874.db2.gz HFRKBDVSGKOVED-RDUHTLEXSA-N 1 3 246.398 2.009 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(C1CC1)C1CC1 ZINC000385586987 711015347 /nfs/dbraw/zinc/01/53/47/711015347.db2.gz HFRKBDVSGKOVED-UNPMEBSKSA-N 1 3 246.398 2.009 20 0 BEADHO CCN1CC[C@H](C[NH2+]CCC(C)(C)SC)C1 ZINC000385793969 711017342 /nfs/dbraw/zinc/01/73/42/711017342.db2.gz FMHPKKGVMWYSRC-GFCCVEGCSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000389618886 711083736 /nfs/dbraw/zinc/08/37/36/711083736.db2.gz HVAMZKZPMZIBPM-LPWJVIDDSA-N 1 3 210.365 2.247 20 0 BEADHO CSC1(CN[C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396541580 711352633 /nfs/dbraw/zinc/35/26/33/711352633.db2.gz ATDKCCVTFAWOSI-QWRGUYRKSA-N 1 3 228.405 2.002 20 0 BEADHO C[C@H](CCC1CC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398175804 711404295 /nfs/dbraw/zinc/40/42/95/711404295.db2.gz VULDHNKVSKILSK-BBAYZTIDSA-N 1 3 234.387 2.151 20 0 BEADHO C[C@H](CCC1CC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398175815 711404447 /nfs/dbraw/zinc/40/44/47/711404447.db2.gz VULDHNKVSKILSK-PCTWNACOSA-N 1 3 234.387 2.151 20 0 BEADHO CNc1ccc(C)cc1C[NH2+][C@@H](C)CCN(C)C ZINC000902132452 710879483 /nfs/dbraw/zinc/87/94/83/710879483.db2.gz LBTJQNHNIQPSNT-ZDUSSCGKSA-N 1 3 249.402 2.467 20 0 BEADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCNC1CC1 ZINC000383629483 710984831 /nfs/dbraw/zinc/98/48/31/710984831.db2.gz VPBUXESKMDTAMC-AAEUAGOBSA-N 1 3 210.365 2.249 20 0 BEADHO CC[C@H]1[C@@H](C)CC[N@H+]1CCCNC1CC1 ZINC000383629483 710984836 /nfs/dbraw/zinc/98/48/36/710984836.db2.gz VPBUXESKMDTAMC-AAEUAGOBSA-N 1 3 210.365 2.249 20 0 BEADHO CCCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396699214 711364679 /nfs/dbraw/zinc/36/46/79/711364679.db2.gz KNEFBDQJVKDCMM-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H]1CCN ZINC000723081288 711501214 /nfs/dbraw/zinc/50/12/14/711501214.db2.gz UIEBQOGSYPRRCZ-FRRDWIJNSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1CCN ZINC000723081288 711501216 /nfs/dbraw/zinc/50/12/16/711501216.db2.gz UIEBQOGSYPRRCZ-FRRDWIJNSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(F)(C2CC2)CC1 ZINC000724806398 711616115 /nfs/dbraw/zinc/61/61/15/711616115.db2.gz KVXADIYZSUQLDV-NEPJUHHUSA-N 1 3 240.366 2.056 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NCCCCCCO)c2ccccc21 ZINC000236303296 711761527 /nfs/dbraw/zinc/76/15/27/711761527.db2.gz NGRDHUCKRKXIIA-HUUCEWRRSA-N 1 3 248.370 2.274 20 0 BEADHO C[C@@H](NC[C@]12C[C@H]1CCC2)[C@H]1CCCC[NH2+]1 ZINC000925879810 711761887 /nfs/dbraw/zinc/76/18/87/711761887.db2.gz CNLCJTIYFZOPSW-SYQHCUMBSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](NC[C@]12C[C@H]1CCC2)[C@@H]1CCCC[NH2+]1 ZINC000925879809 711761970 /nfs/dbraw/zinc/76/19/70/711761970.db2.gz CNLCJTIYFZOPSW-MQYQWHSLSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000232721292 711845551 /nfs/dbraw/zinc/84/55/51/711845551.db2.gz COTHKTSTCQJBRA-NWDGAFQWSA-N 1 3 210.365 2.140 20 0 BEADHO CC1(C)CC(C[N@@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000530219201 711937914 /nfs/dbraw/zinc/93/79/14/711937914.db2.gz OPDSMGFERGUNJT-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO CC1(C)CC(C[N@H+]2CC[C@@]3(C2)CCCNC3)C1 ZINC000530219201 711937916 /nfs/dbraw/zinc/93/79/16/711937916.db2.gz OPDSMGFERGUNJT-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530216026 711938064 /nfs/dbraw/zinc/93/80/64/711938064.db2.gz LYDPGWVAMMGFGG-RWMBFGLXSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H](CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)N(C)C ZINC000700472536 711994322 /nfs/dbraw/zinc/99/43/22/711994322.db2.gz RZYAQXOLIMBXQO-YIYPIFLZSA-N 1 3 224.392 2.352 20 0 BEADHO CSC(C)(C)CC[NH2+]CC[C@H](C)N(C)C ZINC000700476526 711994436 /nfs/dbraw/zinc/99/44/36/711994436.db2.gz HGKOOIHSDGNNOP-NSHDSACASA-N 1 3 232.437 2.448 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCOC2(CCC2)C1)N(C)C ZINC000700604727 712001282 /nfs/dbraw/zinc/00/12/82/712001282.db2.gz DSSNQQFXIJRZNK-OLZOCXBDSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@]12C[NH2+]C[C@H]1CN(CCCc1ccccc1)C2 ZINC000702104033 712039032 /nfs/dbraw/zinc/03/90/32/712039032.db2.gz IRXMOXCRMOAZRW-JKSUJKDBSA-N 1 3 244.382 2.161 20 0 BEADHO C[C@H](NCC[C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000704777800 712116576 /nfs/dbraw/zinc/11/65/76/712116576.db2.gz VKZNJWIWFXPVHS-XQQFMLRXSA-N 1 3 242.432 2.250 20 0 BEADHO FC1(F)CCCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000705778102 712137193 /nfs/dbraw/zinc/13/71/93/712137193.db2.gz IESPMSQIPFJEIO-GFCCVEGCSA-N 1 3 246.345 2.497 20 0 BEADHO CC1(C)CC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000706525867 712149123 /nfs/dbraw/zinc/14/91/23/712149123.db2.gz PRVULDUNIZVYQY-QSLWVIQJSA-N 1 3 234.387 2.009 20 0 BEADHO CC1(C)CC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000706525861 712149305 /nfs/dbraw/zinc/14/93/05/712149305.db2.gz PRVULDUNIZVYQY-MEBFFEOJSA-N 1 3 234.387 2.009 20 0 BEADHO CC1(C)CO[C@H](C[N@@H+]2CCCCC[C@H](N)C2)C1 ZINC000708337913 712189016 /nfs/dbraw/zinc/18/90/16/712189016.db2.gz QAWJTSAPKBPNFJ-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CO[C@H](C[N@H+]2CCCCC[C@H](N)C2)C1 ZINC000708337913 712189017 /nfs/dbraw/zinc/18/90/17/712189017.db2.gz QAWJTSAPKBPNFJ-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO C1=CCC(C[N@@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000709919933 712232521 /nfs/dbraw/zinc/23/25/21/712232521.db2.gz OAGSLJOBUOKMOK-CQSZACIVSA-N 1 3 220.360 2.028 20 0 BEADHO C1=CCC(C[N@H+]2CC[C@]3(C2)CCCNC3)C1 ZINC000709919933 712232523 /nfs/dbraw/zinc/23/25/23/712232523.db2.gz OAGSLJOBUOKMOK-CQSZACIVSA-N 1 3 220.360 2.028 20 0 BEADHO C[C@H](CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)N(C)C ZINC000710931260 712266008 /nfs/dbraw/zinc/26/60/08/712266008.db2.gz QINSFXWXPNBOSZ-MQYQWHSLSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@]1(CN2CCC[C@@H](CF)C2)CCC[NH2+]C1 ZINC000711420185 712299235 /nfs/dbraw/zinc/29/92/35/712299235.db2.gz XIPXAVXIPUFLFF-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@@]1(C[N@@H+]2CCC[C@@H](CF)C2)CCCNC1 ZINC000711420185 712299236 /nfs/dbraw/zinc/29/92/36/712299236.db2.gz XIPXAVXIPUFLFF-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO C[C@@]1(C[N@H+]2CCC[C@@H](CF)C2)CCCNC1 ZINC000711420185 712299238 /nfs/dbraw/zinc/29/92/38/712299238.db2.gz XIPXAVXIPUFLFF-QWHCGFSZSA-N 1 3 228.355 2.058 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C=CCC1 ZINC000711670431 712316038 /nfs/dbraw/zinc/31/60/38/712316038.db2.gz VGTOVEJDAHSAHF-AVGNSLFASA-N 1 3 208.349 2.060 20 0 BEADHO C[C@H](NC[C@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000711719198 712319175 /nfs/dbraw/zinc/31/91/75/712319175.db2.gz LTDYEMPQCXLTDJ-AVGNSLFASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@H](NC[C@@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 ZINC000711719201 712319586 /nfs/dbraw/zinc/31/95/86/712319586.db2.gz LTDYEMPQCXLTDJ-XQQFMLRXSA-N 1 3 208.349 2.073 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712378709 712428707 /nfs/dbraw/zinc/42/87/07/712428707.db2.gz RHUPXNVQXLIWRY-MEBFFEOJSA-N 1 3 222.376 2.282 20 0 BEADHO CC[N@@H+]1CC[C@H]1CNc1ccnc2ccccc21 ZINC000712594797 712436072 /nfs/dbraw/zinc/43/60/72/712436072.db2.gz MIXQZSRHFHXZSW-LBPRGKRZSA-N 1 3 241.338 2.163 20 0 BEADHO CC[N@H+]1CC[C@H]1CNc1ccnc2ccccc21 ZINC000712594797 712436075 /nfs/dbraw/zinc/43/60/75/712436075.db2.gz MIXQZSRHFHXZSW-LBPRGKRZSA-N 1 3 241.338 2.163 20 0 BEADHO CC[C@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000036770112 712494620 /nfs/dbraw/zinc/49/46/20/712494620.db2.gz NANGEKXMUDYCNI-ZDUSSCGKSA-N 1 3 228.380 2.006 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714866278 712502614 /nfs/dbraw/zinc/50/26/14/712502614.db2.gz PVSLYSYNIYFFQU-CFVMTHIKSA-N 1 3 236.403 2.354 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000716582886 712564083 /nfs/dbraw/zinc/56/40/83/712564083.db2.gz LQJUIPGNIIESLH-PLJUSGQGSA-N 1 3 236.403 2.386 20 0 BEADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000716582878 712564086 /nfs/dbraw/zinc/56/40/86/712564086.db2.gz LQJUIPGNIIESLH-DXUDUQDWSA-N 1 3 236.403 2.386 20 0 BEADHO C[C@H](NC[C@H]1C[C@H]1[C@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000716630910 712568288 /nfs/dbraw/zinc/56/82/88/712568288.db2.gz ATAGNTRXLCHCLL-DXUDUQDWSA-N 1 3 236.403 2.399 20 0 BEADHO C[C@H](NC1CCC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000718020716 712736942 /nfs/dbraw/zinc/73/69/42/712736942.db2.gz VVZIAKPUBUUPTQ-AAEUAGOBSA-N 1 3 208.349 2.215 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000718774410 712782595 /nfs/dbraw/zinc/78/25/95/712782595.db2.gz HUVLAJXYBAHQLK-HZSPNIEDSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CC1)CN1CCCCC1 ZINC000038041774 712801422 /nfs/dbraw/zinc/80/14/22/712801422.db2.gz RPTNWAKTFJXHQR-STQMWFEESA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)[C@H](C)CN1C ZINC000663763896 719156760 /nfs/dbraw/zinc/15/67/60/719156760.db2.gz ITUMRTUHPBBCCF-GHMZBOCLSA-N 1 3 244.342 2.092 20 0 BEADHO C[C@@H]1CC[C@@H](NCC2(C)CCCC2)C[NH2+]1 ZINC000398946730 958453118 /nfs/dbraw/zinc/45/31/18/958453118.db2.gz BHFLGPNYKDAJOA-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCC(F)(F)C2)C12CCC2 ZINC000695112746 960106905 /nfs/dbraw/zinc/10/69/05/960106905.db2.gz MFHFMFWVCAXKOR-GMTAPVOTSA-N 1 3 244.329 2.424 20 0 BEADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654754 960327331 /nfs/dbraw/zinc/32/73/31/960327331.db2.gz JGADJIDWGKDPFY-MNOVXSKESA-N 1 3 242.794 2.220 20 0 BEADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654754 960327342 /nfs/dbraw/zinc/32/73/42/960327342.db2.gz JGADJIDWGKDPFY-MNOVXSKESA-N 1 3 242.794 2.220 20 0 BEADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654753 960327734 /nfs/dbraw/zinc/32/77/34/960327734.db2.gz JGADJIDWGKDPFY-GHMZBOCLSA-N 1 3 242.794 2.220 20 0 BEADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)C1(Cl)CC1 ZINC000695654753 960327746 /nfs/dbraw/zinc/32/77/46/960327746.db2.gz JGADJIDWGKDPFY-GHMZBOCLSA-N 1 3 242.794 2.220 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)NC1CC([NH3+])C1 ZINC000087651395 961602752 /nfs/dbraw/zinc/60/27/52/961602752.db2.gz OKDCXGMLIIBTLI-UHEGKEBESA-N 1 3 238.762 2.350 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC(N)C1 ZINC000087651395 961602766 /nfs/dbraw/zinc/60/27/66/961602766.db2.gz OKDCXGMLIIBTLI-UHEGKEBESA-N 1 3 238.762 2.350 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1CCCNC1CC1 ZINC000084125752 966925931 /nfs/dbraw/zinc/92/59/31/966925931.db2.gz KWQRWQLHMKVIFH-ZDUSSCGKSA-N 1 3 210.365 2.249 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1CCCNC1CC1 ZINC000084125752 966925934 /nfs/dbraw/zinc/92/59/34/966925934.db2.gz KWQRWQLHMKVIFH-ZDUSSCGKSA-N 1 3 210.365 2.249 20 0 BEADHO CCN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000146962941 1165875677 /nfs/dbraw/zinc/87/56/77/1165875677.db2.gz ZOWDIFWFDKXUNU-ZDUSSCGKSA-N 1 3 210.365 2.347 20 0 BEADHO CC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC000146962941 1165875683 /nfs/dbraw/zinc/87/56/83/1165875683.db2.gz ZOWDIFWFDKXUNU-ZDUSSCGKSA-N 1 3 210.365 2.347 20 0 BEADHO CC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC000146962941 1165875687 /nfs/dbraw/zinc/87/56/87/1165875687.db2.gz ZOWDIFWFDKXUNU-ZDUSSCGKSA-N 1 3 210.365 2.347 20 0 BEADHO CS[C@H](C)CC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206607241 968414828 /nfs/dbraw/zinc/41/48/28/968414828.db2.gz YMELJOVYBPPQPE-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO CS[C@H](C)CC[N@H+]1CCCC[C@H](CN)C1 ZINC001206607241 968414833 /nfs/dbraw/zinc/41/48/33/968414833.db2.gz YMELJOVYBPPQPE-VXGBXAGGSA-N 1 3 230.421 2.189 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000050249095 1165989820 /nfs/dbraw/zinc/98/98/20/1165989820.db2.gz ZMKCZEBQAOBWLY-LBPRGKRZSA-N 1 3 241.338 2.015 20 0 BEADHO C[NH+](C)CC(C)(C)CN1CCC[C@H]2C[C@H]21 ZINC001207283590 968716199 /nfs/dbraw/zinc/71/61/99/968716199.db2.gz AHNKKKVETOFFJT-NWDGAFQWSA-N 1 3 210.365 2.059 20 0 BEADHO C[NH+](C)CC(C)(C)CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001207282850 968717072 /nfs/dbraw/zinc/71/70/72/968717072.db2.gz WNBJPSXWBSPBNP-SDDRHHMPSA-N 1 3 228.355 2.007 20 0 BEADHO CCCN1C[C@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001208687126 969196039 /nfs/dbraw/zinc/19/60/39/969196039.db2.gz PRRQCDORRIQYAU-KBPBESRZSA-N 1 3 222.376 2.060 20 0 BEADHO NCCC[N@H+](C1CCCCC1)[C@H]1CCCOC1 ZINC000224833600 1166336514 /nfs/dbraw/zinc/33/65/14/1166336514.db2.gz JZLVPYNVCSLTOD-AWEZNQCLSA-N 1 3 240.391 2.149 20 0 BEADHO NCCC[N@@H+](C1CCCCC1)[C@H]1CCCOC1 ZINC000224833600 1166336524 /nfs/dbraw/zinc/33/65/24/1166336524.db2.gz JZLVPYNVCSLTOD-AWEZNQCLSA-N 1 3 240.391 2.149 20 0 BEADHO CCCC[NH+]1CCC(N(C)CCCOC)CC1 ZINC001209055990 969338844 /nfs/dbraw/zinc/33/88/44/969338844.db2.gz LATPEQGRKLLGEN-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO CSCCCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000300904946 1166362182 /nfs/dbraw/zinc/36/21/82/1166362182.db2.gz WLORGGYHVGFJGT-GFCCVEGCSA-N 1 3 230.421 2.061 20 0 BEADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)C1(Cl)CC1 ZINC000695665914 1166663577 /nfs/dbraw/zinc/66/35/77/1166663577.db2.gz FFLQEXAOHNDWED-VHSXEESVSA-N 1 3 218.772 2.076 20 0 BEADHO Cc1ccc(C[C@H](C)N(C)C[C@H](C)C[NH3+])cc1 ZINC001255779297 970481982 /nfs/dbraw/zinc/48/19/82/970481982.db2.gz AJKQLQDAHTULCW-KGLIPLIRSA-N 1 3 234.387 2.453 20 0 BEADHO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC000252965023 1166759422 /nfs/dbraw/zinc/75/94/22/1166759422.db2.gz WWQYFFWTGKXLIQ-UPJWGTAASA-N 1 3 210.365 2.247 20 0 BEADHO CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC000252965023 1166759427 /nfs/dbraw/zinc/75/94/27/1166759427.db2.gz WWQYFFWTGKXLIQ-UPJWGTAASA-N 1 3 210.365 2.247 20 0 BEADHO Cc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000379804127 1166788920 /nfs/dbraw/zinc/78/89/20/1166788920.db2.gz NGYUNVRQWFYTBL-PWSUYJOCSA-N 1 3 224.373 2.226 20 0 BEADHO CCCC[C@@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255946615 970579923 /nfs/dbraw/zinc/57/99/23/970579923.db2.gz XDPBKEYENHUSBF-KGLIPLIRSA-N 1 3 244.423 2.248 20 0 BEADHO CCCC[C@@H](CO)N[C@H](C)CC[NH+](CC)CC ZINC001255946615 970579932 /nfs/dbraw/zinc/57/99/32/970579932.db2.gz XDPBKEYENHUSBF-KGLIPLIRSA-N 1 3 244.423 2.248 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000925786880 1166835014 /nfs/dbraw/zinc/83/50/14/1166835014.db2.gz QIDPAMYBIJQVHF-FRRDWIJNSA-N 1 3 210.365 2.319 20 0 BEADHO FC1CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256073072 970644384 /nfs/dbraw/zinc/64/43/84/970644384.db2.gz MLIPRJAAQGLQLN-UHFFFAOYSA-N 1 3 226.339 2.047 20 0 BEADHO C[NH+]1CCC(N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001256209564 970712656 /nfs/dbraw/zinc/71/26/56/970712656.db2.gz YKTPXKSSEMJLBB-OCCSQVGLSA-N 1 3 222.376 2.345 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCNC[C@H]3C2)C[C@@H]1C ZINC000310397864 1167068277 /nfs/dbraw/zinc/06/82/77/1167068277.db2.gz MIFPGUTWJHAJDJ-QTVXIADOSA-N 1 3 236.403 2.352 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCNC[C@H]3C2)C[C@@H]1C ZINC000310397864 1167068282 /nfs/dbraw/zinc/06/82/82/1167068282.db2.gz MIFPGUTWJHAJDJ-QTVXIADOSA-N 1 3 236.403 2.352 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000309044780 1167243948 /nfs/dbraw/zinc/24/39/48/1167243948.db2.gz NSHHPLAJFGSSND-NWDGAFQWSA-N 1 3 230.421 2.202 20 0 BEADHO C[C@H](Cc1cccc(F)c1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001168475855 1167766644 /nfs/dbraw/zinc/76/66/44/1167766644.db2.gz QLNBQXCZFCQVBR-DDTOSNHZSA-N 1 3 236.334 2.226 20 0 BEADHO CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000310449332 1167774491 /nfs/dbraw/zinc/77/44/91/1167774491.db2.gz XRJQEQNYZTUYCW-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)C[C@@H]([N@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC000310449332 1167774498 /nfs/dbraw/zinc/77/44/98/1167774498.db2.gz XRJQEQNYZTUYCW-STQMWFEESA-N 1 3 240.391 2.005 20 0 BEADHO CCC[N@H+](CCCN)[C@H]1CCC[C@H](OC)C1 ZINC000069846603 978763777 /nfs/dbraw/zinc/76/37/77/978763777.db2.gz QBEYDSJLKQOUCJ-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO CCC[N@@H+](CCCN)[C@H]1CCC[C@H](OC)C1 ZINC000069846603 978763782 /nfs/dbraw/zinc/76/37/82/978763782.db2.gz QBEYDSJLKQOUCJ-STQMWFEESA-N 1 3 228.380 2.005 20 0 BEADHO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC000229541134 1168331232 /nfs/dbraw/zinc/33/12/32/1168331232.db2.gz FMAHAOQRSOBZIB-YNEHKIRRSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC000229541134 1168331238 /nfs/dbraw/zinc/33/12/38/1168331238.db2.gz FMAHAOQRSOBZIB-YNEHKIRRSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H](C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000229064108 1168361385 /nfs/dbraw/zinc/36/13/85/1168361385.db2.gz SWOANKSCHUHPSS-RNJOBUHISA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000229064108 1168361388 /nfs/dbraw/zinc/36/13/88/1168361388.db2.gz SWOANKSCHUHPSS-RNJOBUHISA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CCCN ZINC000401452305 1168441491 /nfs/dbraw/zinc/44/14/91/1168441491.db2.gz PWCPJKUJUNRDBL-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CCCN ZINC000401452305 1168441498 /nfs/dbraw/zinc/44/14/98/1168441498.db2.gz PWCPJKUJUNRDBL-CHWSQXEVSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1cc2[nH]ccc2c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158180707 1168544526 /nfs/dbraw/zinc/54/45/26/1168544526.db2.gz YNJQYQFTSNXTIU-PHIMTYICSA-N 1 3 244.342 2.058 20 0 BEADHO CCC[N@H+](CCCN)[C@@H](C)CCOC(C)C ZINC001172432853 974718722 /nfs/dbraw/zinc/71/87/22/974718722.db2.gz CYAXMEHWCKTZOY-ZDUSSCGKSA-N 1 3 230.396 2.251 20 0 BEADHO CCC[N@@H+](CCCN)[C@@H](C)CCOC(C)C ZINC001172432853 974718726 /nfs/dbraw/zinc/71/87/26/974718726.db2.gz CYAXMEHWCKTZOY-ZDUSSCGKSA-N 1 3 230.396 2.251 20 0 BEADHO NC[C@H]1CCCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000402202321 970768153 /nfs/dbraw/zinc/76/81/53/970768153.db2.gz FFNWMHXUHCUFJO-ZIAGYGMSSA-N 1 3 222.376 2.404 20 0 BEADHO NC[C@H]1CCCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000402202321 970768160 /nfs/dbraw/zinc/76/81/60/970768160.db2.gz FFNWMHXUHCUFJO-ZIAGYGMSSA-N 1 3 222.376 2.404 20 0 BEADHO COCC(C)(C)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256558582 970864451 /nfs/dbraw/zinc/86/44/51/970864451.db2.gz RHDORTZZMMJPJS-UHFFFAOYSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]1CC[N@@H+]1C1CCN(C(C)(C)C)CC1 ZINC001256569493 970868101 /nfs/dbraw/zinc/86/81/01/970868101.db2.gz HFGMIVCBSYJEGX-LLVKDONJSA-N 1 3 210.365 2.344 20 0 BEADHO C[C@@H]1CC[N@H+]1C1CCN(C(C)(C)C)CC1 ZINC001256569493 970868107 /nfs/dbraw/zinc/86/81/07/970868107.db2.gz HFGMIVCBSYJEGX-LLVKDONJSA-N 1 3 210.365 2.344 20 0 BEADHO CCC[C@@H](C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403136475 970882325 /nfs/dbraw/zinc/88/23/25/970882325.db2.gz BWWZNONVSCAWDX-GHMZBOCLSA-N 1 3 234.334 2.339 20 0 BEADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403507828 970956664 /nfs/dbraw/zinc/95/66/64/970956664.db2.gz BGRWPZMOARQIBQ-ZOBORPQBSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403507828 970956670 /nfs/dbraw/zinc/95/66/70/970956670.db2.gz BGRWPZMOARQIBQ-ZOBORPQBSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403654063 971005374 /nfs/dbraw/zinc/00/53/74/971005374.db2.gz IBOYQVIKHLSNLX-XYTAGDGMSA-N 1 3 240.416 2.130 20 0 BEADHO CC(C)N1CCC([NH+]2CC(C)(C)C2)CC1 ZINC001257212899 971127721 /nfs/dbraw/zinc/12/77/21/971127721.db2.gz BTEGISZGSJHQPY-UHFFFAOYSA-N 1 3 210.365 2.201 20 0 BEADHO CC(C)N1CCC([NH+]2CC3(CCC3)C2)CC1 ZINC001257214968 971129838 /nfs/dbraw/zinc/12/98/38/971129838.db2.gz PGMWVXZAOZDKIB-UHFFFAOYSA-N 1 3 222.376 2.345 20 0 BEADHO CC1(C)[C@H](NCCc2cccs2)C[C@@H]1[NH3+] ZINC000404842981 971183907 /nfs/dbraw/zinc/18/39/07/971183907.db2.gz CHPDXWHVAMUQDX-WDEREUQCSA-N 1 3 224.373 2.006 20 0 BEADHO CCCN1C[C@H]2C[NH+](C(CC)CC)C[C@@H]2C1 ZINC001257302590 971192605 /nfs/dbraw/zinc/19/26/05/971192605.db2.gz ZSESQKANHAGKEE-STQMWFEESA-N 1 3 224.392 2.449 20 0 BEADHO [NH3+][C@@H]1C[C@H](NCCc2ccccc2)C12CCC2 ZINC000405247934 971222745 /nfs/dbraw/zinc/22/27/45/971222745.db2.gz IFRLGQSHKLTBBN-KGLIPLIRSA-N 1 3 230.355 2.089 20 0 BEADHO [NH3+][C@H]1C[C@H](NCCc2cccs2)C12CCC2 ZINC000405261660 971226525 /nfs/dbraw/zinc/22/65/25/971226525.db2.gz NLNSWSUMSVFBSK-RYUDHWBXSA-N 1 3 236.384 2.150 20 0 BEADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1cccc(F)c1 ZINC000405309453 971230348 /nfs/dbraw/zinc/23/03/48/971230348.db2.gz ZWHKSYUPRFXVPF-CHWSQXEVSA-N 1 3 236.334 2.084 20 0 BEADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CC23CCCC3)C12CCC2 ZINC000405302373 971234001 /nfs/dbraw/zinc/23/40/01/971234001.db2.gz JERNBFITEPTBLP-IJLUTSLNSA-N 1 3 220.360 2.179 20 0 BEADHO CCN(C)C1CC[NH+](C2CCCC2)CC1 ZINC001257354751 971267153 /nfs/dbraw/zinc/26/71/53/971267153.db2.gz IDQPXKYLYMOZMQ-UHFFFAOYSA-N 1 3 210.365 2.345 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@](C)(N)C1 ZINC000405886478 971319769 /nfs/dbraw/zinc/31/97/69/971319769.db2.gz WODQRMCGSSOENR-AWEZNQCLSA-N 1 3 218.344 2.227 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@](C)(N)C1 ZINC000405886478 971319774 /nfs/dbraw/zinc/31/97/74/971319774.db2.gz WODQRMCGSSOENR-AWEZNQCLSA-N 1 3 218.344 2.227 20 0 BEADHO CC1(C)C[C@H](Oc2cccc3c2CNC3)CC[NH2+]1 ZINC001218477795 971827945 /nfs/dbraw/zinc/82/79/45/971827945.db2.gz ROKDXKKCZDNTTK-GFCCVEGCSA-N 1 3 246.354 2.199 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172326025 974530155 /nfs/dbraw/zinc/53/01/55/974530155.db2.gz ABXKNBXOUHCQKK-AVGNSLFASA-N 1 3 230.396 2.107 20 0 BEADHO CC[C@H](C)OCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172326025 974530176 /nfs/dbraw/zinc/53/01/76/974530176.db2.gz ABXKNBXOUHCQKK-AVGNSLFASA-N 1 3 230.396 2.107 20 0 BEADHO COc1ccccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC000311002592 971987986 /nfs/dbraw/zinc/98/79/86/971987986.db2.gz IQFIFEVQOFPCKT-ZDUSSCGKSA-N 1 3 248.370 2.256 20 0 BEADHO [NH3+]C[C@H]1CCCCN(CCOc2ccccc2)C1 ZINC000311211275 971993455 /nfs/dbraw/zinc/99/34/55/971993455.db2.gz LCQULTGPAAWBEZ-CQSZACIVSA-N 1 3 248.370 2.126 20 0 BEADHO CCc1cccc(CC)c1N[C@H](N)CCC[NH3+] ZINC001170906949 972079568 /nfs/dbraw/zinc/07/95/68/972079568.db2.gz ZADBUWJQQKEANZ-ZDUSSCGKSA-N 1 3 235.375 2.247 20 0 BEADHO Cc1ccc(C[C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC001246077794 972131630 /nfs/dbraw/zinc/13/16/30/972131630.db2.gz KQVPDZXEQIUERG-CYBMUJFWSA-N 1 3 232.371 2.268 20 0 BEADHO C[C@H]1CNC[C@H]1[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001246116497 972179690 /nfs/dbraw/zinc/17/96/90/972179690.db2.gz MRTLBRBZQWCLME-WUHRBBMRSA-N 1 3 224.392 2.399 20 0 BEADHO CCCC[C@@H](CC)[NH2+][C@@H]1CNCC12CC2 ZINC001246133536 972191955 /nfs/dbraw/zinc/19/19/55/972191955.db2.gz OEJBEZRYJIXBNA-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC001246181661 972208907 /nfs/dbraw/zinc/20/89/07/972208907.db2.gz WUXLKDWZZARFLX-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO Cc1cc2[nH]ccc2c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160148235 972218599 /nfs/dbraw/zinc/21/85/99/972218599.db2.gz PPBKTXLDKNCCKE-NSHDSACASA-N 1 3 244.342 2.425 20 0 BEADHO C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)CN1 ZINC001246248539 972248358 /nfs/dbraw/zinc/24/83/58/972248358.db2.gz YNOYVXDSTGRKTR-WCQYABFASA-N 1 3 243.354 2.398 20 0 BEADHO Cc1ccc(C[C@@H](C)NC[C@@H]([NH3+])C(C)C)cc1 ZINC001246333505 972296595 /nfs/dbraw/zinc/29/65/95/972296595.db2.gz RABNKXOZUHFBTK-UKRRQHHQSA-N 1 3 234.387 2.499 20 0 BEADHO CSC(C)(C)C[C@H](C)N[C@@H]1CCC[NH2+]C1 ZINC001246357826 972302932 /nfs/dbraw/zinc/30/29/32/972302932.db2.gz MZEDVXCSMWGUSX-WDEREUQCSA-N 1 3 230.421 2.248 20 0 BEADHO CC[C@]1([NH2+][C@@H]2CCC[C@H](C)C2)CCNC1 ZINC001246461889 972335221 /nfs/dbraw/zinc/33/52/21/972335221.db2.gz QHBGXPVPTHBTDF-XQQFMLRXSA-N 1 3 210.365 2.297 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001246493530 972352073 /nfs/dbraw/zinc/35/20/73/972352073.db2.gz BYRFDXKJAYGSAP-OAGGEKHMSA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@@H](N[C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001246493530 972352077 /nfs/dbraw/zinc/35/20/77/972352077.db2.gz BYRFDXKJAYGSAP-OAGGEKHMSA-N 1 3 244.382 2.192 20 0 BEADHO C[C@H]1CC[C@H](NCCCC(F)(F)F)C[NH2+]1 ZINC000399221965 958567381 /nfs/dbraw/zinc/56/73/81/958567381.db2.gz CHOSZYXWAYYMHZ-IUCAKERBSA-N 1 3 224.270 2.059 20 0 BEADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)S2)CN(C)C ZINC000403636659 958752721 /nfs/dbraw/zinc/75/27/21/958752721.db2.gz NQWNDWCVIVZHEE-ODWCKFRGSA-N 1 3 242.432 2.200 20 0 BEADHO Cc1ccc(C[C@H](C)[N@@H+]2CC[C@](C)(N)C2)cc1 ZINC001246526786 972397062 /nfs/dbraw/zinc/39/70/62/972397062.db2.gz BTBZSQIMPJGXKD-ZFWWWQNUSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(C[C@H](C)[N@H+]2CC[C@](C)(N)C2)cc1 ZINC001246526786 972397067 /nfs/dbraw/zinc/39/70/67/972397067.db2.gz BTBZSQIMPJGXKD-ZFWWWQNUSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@@](C)(N)C2)cc1 ZINC001246526781 972398420 /nfs/dbraw/zinc/39/84/20/972398420.db2.gz BTBZSQIMPJGXKD-UKRRQHHQSA-N 1 3 232.371 2.349 20 0 BEADHO Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@](C)(N)C2)cc1 ZINC001246526781 972398429 /nfs/dbraw/zinc/39/84/29/972398429.db2.gz BTBZSQIMPJGXKD-UKRRQHHQSA-N 1 3 232.371 2.349 20 0 BEADHO CC(F)(F)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693714848 959223232 /nfs/dbraw/zinc/22/32/32/959223232.db2.gz BFRCELXKOFUDPW-OUAUKWLOSA-N 1 3 246.345 2.398 20 0 BEADHO CC[C@@H](C)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222232897 972415842 /nfs/dbraw/zinc/41/58/42/972415842.db2.gz YKXBGZNFJAGNPV-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO CC[C@@H](C)C[N@H+]1CCC[C@]12CCCNC2 ZINC001222232897 972415856 /nfs/dbraw/zinc/41/58/56/972415856.db2.gz YKXBGZNFJAGNPV-OLZOCXBDSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@](C)(N)C1)C2 ZINC001246532154 972445089 /nfs/dbraw/zinc/44/50/89/972445089.db2.gz UMHJDLRHOHQENJ-HOCLYGCPSA-N 1 3 244.382 2.275 20 0 BEADHO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@](C)(N)C1)C2 ZINC001246532154 972445093 /nfs/dbraw/zinc/44/50/93/972445093.db2.gz UMHJDLRHOHQENJ-HOCLYGCPSA-N 1 3 244.382 2.275 20 0 BEADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000694274866 959816138 /nfs/dbraw/zinc/81/61/38/959816138.db2.gz ALPUVLITTNPRFG-VSPOPZGASA-N 1 3 246.398 2.009 20 0 BEADHO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C)[C@H](C)C2)C[C@H]1CN ZINC000708870668 959991084 /nfs/dbraw/zinc/99/10/84/959991084.db2.gz MNKURBWAUIAWSS-RGDJUOJXSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)[C@H](C)C2)C[C@H]1CN ZINC000708870668 959991093 /nfs/dbraw/zinc/99/10/93/959991093.db2.gz MNKURBWAUIAWSS-RGDJUOJXSA-N 1 3 224.392 2.338 20 0 BEADHO C1CC12CCC[C@H](N[C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)C2 ZINC000695700209 960382986 /nfs/dbraw/zinc/38/29/86/960382986.db2.gz MFUYDCITWRGZLE-GXYBRJDSSA-N 1 3 246.398 2.295 20 0 BEADHO C[C@H](N[C@@H]1CCCC2(CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000695725400 960404936 /nfs/dbraw/zinc/40/49/36/960404936.db2.gz WWEKUBFVAFTXGF-XQQFMLRXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccccn1 ZINC000692744338 960566079 /nfs/dbraw/zinc/56/60/79/960566079.db2.gz GBJVNHFLEWBTOZ-MRVWCRGKSA-N 1 3 245.370 2.045 20 0 BEADHO FC1(F)CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709401140 960573075 /nfs/dbraw/zinc/57/30/75/960573075.db2.gz AYYAYGKJEBJRLY-JDUUOCRZSA-N 1 3 230.302 2.047 20 0 BEADHO Cc1c[nH]c(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1C ZINC001140859893 960636561 /nfs/dbraw/zinc/63/65/61/960636561.db2.gz DYIRCFUDLHJFKK-KGLIPLIRSA-N 1 3 247.386 2.015 20 0 BEADHO Cc1c[nH]c(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC001140859893 960636567 /nfs/dbraw/zinc/63/65/67/960636567.db2.gz DYIRCFUDLHJFKK-KGLIPLIRSA-N 1 3 247.386 2.015 20 0 BEADHO c1cc(N2CC[NH+]([C@H]3C[C@H]4C[C@H]4C3)CC2)ccn1 ZINC001167923761 961992611 /nfs/dbraw/zinc/99/26/11/961992611.db2.gz ITRNCSKUNNVBGT-NHAGDIPZSA-N 1 3 243.354 2.002 20 0 BEADHO c1cc(N2CCN([C@H]3C[C@H]4C[C@H]4C3)CC2)cc[nH+]1 ZINC001167923761 961992616 /nfs/dbraw/zinc/99/26/16/961992616.db2.gz ITRNCSKUNNVBGT-NHAGDIPZSA-N 1 3 243.354 2.002 20 0 BEADHO CCCCN(C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168075752 963615795 /nfs/dbraw/zinc/61/57/95/963615795.db2.gz QNFXQWAFPUFXMK-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO CC(C)C[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000697869428 964597349 /nfs/dbraw/zinc/59/73/49/964597349.db2.gz GXOSROIGSOJFEE-NWDGAFQWSA-N 1 3 200.370 2.351 20 0 BEADHO C[C@H](CC[NH2+]C[C@H]1CC=CCC1)N(C)C ZINC000697877835 964604702 /nfs/dbraw/zinc/60/47/02/964604702.db2.gz FPBGTFPLRADVLR-OLZOCXBDSA-N 1 3 210.365 2.273 20 0 BEADHO C[C@H](CC[NH2+][C@H]1CCCC1(C)C)N(C)C ZINC000697877969 964605511 /nfs/dbraw/zinc/60/55/11/964605511.db2.gz GMVAESHAZPAGQG-NEPJUHHUSA-N 1 3 212.381 2.495 20 0 BEADHO Cc1ccccc1C[NH2+]CC[C@H](C)N(C)C ZINC000697890477 964642513 /nfs/dbraw/zinc/64/25/13/964642513.db2.gz VXKQPKMZBALZOK-ZDUSSCGKSA-N 1 3 220.360 2.425 20 0 BEADHO C[C@@H](N[C@H](C)C1CC[NH2+]CC1)c1cscn1 ZINC000697892761 964652525 /nfs/dbraw/zinc/65/25/25/964652525.db2.gz QTYXYHZGBUOPDO-NXEZZACHSA-N 1 3 239.388 2.182 20 0 BEADHO Cc1c2[nH]cnc2ccc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162556723 965048814 /nfs/dbraw/zinc/04/88/14/965048814.db2.gz RZUUPXYGKRCQDW-MWLCHTKSSA-N 1 3 244.342 2.281 20 0 BEADHO Cn1cncc1NCc1cccc(C[NH+](C)C)c1 ZINC001163993577 965684561 /nfs/dbraw/zinc/68/45/61/965684561.db2.gz MQHARIPCAQVCSG-UHFFFAOYSA-N 1 3 244.342 2.094 20 0 BEADHO [NH3+][C@H]1CCCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC001205094379 965727018 /nfs/dbraw/zinc/72/70/18/965727018.db2.gz LUIIOHHAFZIZFN-AWEZNQCLSA-N 1 3 243.354 2.481 20 0 BEADHO C[C@H](Cc1cccc(F)c1)NC(C)(C)C[NH3+] ZINC001168454138 965756409 /nfs/dbraw/zinc/75/64/09/965756409.db2.gz MHMHSHBEFDGDIQ-SNVBAGLBSA-N 1 3 224.323 2.084 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000232788336 965794213 /nfs/dbraw/zinc/79/42/13/965794213.db2.gz ZXMPPKZCOLCJJP-NEPJUHHUSA-N 1 3 212.381 2.386 20 0 BEADHO CNc1ccccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205117805 965871123 /nfs/dbraw/zinc/87/11/23/965871123.db2.gz VWZXVFWTFFKKHO-CYBMUJFWSA-N 1 3 233.359 2.042 20 0 BEADHO CC[C@H]1CC[C@H](C)[N@@H+]1CCCNC1CC1 ZINC000136085630 966372662 /nfs/dbraw/zinc/37/26/62/966372662.db2.gz BPMBZLJZZDIQJM-AAEUAGOBSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@H]1CC[C@H](C)[N@H+]1CCCNC1CC1 ZINC000136085630 966372672 /nfs/dbraw/zinc/37/26/72/966372672.db2.gz BPMBZLJZZDIQJM-AAEUAGOBSA-N 1 3 210.365 2.391 20 0 BEADHO C[NH+]1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC001203357895 966612969 /nfs/dbraw/zinc/61/29/69/966612969.db2.gz ZSDGWULEECDVFB-UHFFFAOYSA-N 1 3 248.345 2.353 20 0 BEADHO Cc1ccc([C@@H](C)CC[N@@H+](C)C[C@H](C)N)o1 ZINC001236885978 966614143 /nfs/dbraw/zinc/61/41/43/966614143.db2.gz YQAJHPZGWCGAMF-QWRGUYRKSA-N 1 3 224.348 2.361 20 0 BEADHO Cc1ccc([C@@H](C)CC[N@H+](C)C[C@H](C)N)o1 ZINC001236885978 966614148 /nfs/dbraw/zinc/61/41/48/966614148.db2.gz YQAJHPZGWCGAMF-QWRGUYRKSA-N 1 3 224.348 2.361 20 0 BEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000715584754 967195825 /nfs/dbraw/zinc/19/58/25/967195825.db2.gz RBFCVXPRVOZKBR-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@]1([NH3+])CCCN(CCOc2ccccc2)CC1 ZINC001205255837 967447402 /nfs/dbraw/zinc/44/74/02/967447402.db2.gz LRVQPSSDGDHPBI-HNNXBMFYSA-N 1 3 248.370 2.269 20 0 BEADHO COc1cccc(CN2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266654 967455401 /nfs/dbraw/zinc/45/54/01/967455401.db2.gz VLZYTCTZSYCTQQ-HNNXBMFYSA-N 1 3 248.370 2.399 20 0 BEADHO Cc1cc(C)c(CN2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205264789 967457057 /nfs/dbraw/zinc/45/70/57/967457057.db2.gz MLKIBCCHLODNGU-AWEZNQCLSA-N 1 3 235.375 2.335 20 0 BEADHO Cc1cccc(C[N@H+]2CCNCC[C@H]2C)c1C ZINC001205325709 967542338 /nfs/dbraw/zinc/54/23/38/967542338.db2.gz RLTRPDAZLRGZAO-CYBMUJFWSA-N 1 3 232.371 2.487 20 0 BEADHO Cc1cccc(C[N@@H+]2CCNCC[C@H]2C)c1C ZINC001205325709 967542345 /nfs/dbraw/zinc/54/23/45/967542345.db2.gz RLTRPDAZLRGZAO-CYBMUJFWSA-N 1 3 232.371 2.487 20 0 BEADHO CS[C@@H](C)CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206607240 968416314 /nfs/dbraw/zinc/41/63/14/968416314.db2.gz YMELJOVYBPPQPE-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO CS[C@@H](C)CC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206607240 968416318 /nfs/dbraw/zinc/41/63/18/968416318.db2.gz YMELJOVYBPPQPE-RYUDHWBXSA-N 1 3 230.421 2.189 20 0 BEADHO C[NH+]1CCC(CN2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001207395039 968751496 /nfs/dbraw/zinc/75/14/96/968751496.db2.gz OJXSXWNQMFYGCH-CHWSQXEVSA-N 1 3 246.345 2.100 20 0 BEADHO CN(Cc1ccccn1)CC1(C)CC[NH+](C)CC1 ZINC001208102561 968995901 /nfs/dbraw/zinc/99/59/01/968995901.db2.gz GAZXIANGBCSPKC-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO CN(Cc1cccnc1)CC1(C)CC[NH+](C)CC1 ZINC001208102974 969001031 /nfs/dbraw/zinc/00/10/31/969001031.db2.gz ITBXLXDEGKIDSC-UHFFFAOYSA-N 1 3 247.386 2.245 20 0 BEADHO C[NH+]1CCC(C)(CN2CCc3occc3C2)CC1 ZINC001208110229 969007243 /nfs/dbraw/zinc/00/72/43/969007243.db2.gz XKCAHPQQTDMMJP-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO C[NH+]1CCC(C)(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001208110433 969008959 /nfs/dbraw/zinc/00/89/59/969008959.db2.gz RSPORCQFCDEAGD-AVGNSLFASA-N 1 3 240.366 2.008 20 0 BEADHO C[C@@H](CN)C[N@H+](C)C1CCC2(CC2)CC1 ZINC000723428310 969145886 /nfs/dbraw/zinc/14/58/86/969145886.db2.gz XNHGGAMNIONXRJ-NSHDSACASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H](CN)C[N@@H+](C)C1CCC2(CC2)CC1 ZINC000723428310 969145892 /nfs/dbraw/zinc/14/58/92/969145892.db2.gz XNHGGAMNIONXRJ-NSHDSACASA-N 1 3 210.365 2.236 20 0 BEADHO C[N@@H+]1CCC[C@H](CN2CCc3ccccc3C2)C1 ZINC001208605069 969154596 /nfs/dbraw/zinc/15/45/96/969154596.db2.gz XZFPIMOIUQHKQO-AWEZNQCLSA-N 1 3 244.382 2.387 20 0 BEADHO C[N@H+]1CCC[C@H](CN2CCc3ccccc3C2)C1 ZINC001208605069 969154599 /nfs/dbraw/zinc/15/45/99/969154599.db2.gz XZFPIMOIUQHKQO-AWEZNQCLSA-N 1 3 244.382 2.387 20 0 BEADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001209452426 969519084 /nfs/dbraw/zinc/51/90/84/969519084.db2.gz OTSCCUPDJDIVEM-KGLIPLIRSA-N 1 3 222.376 2.347 20 0 BEADHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001209452426 969519089 /nfs/dbraw/zinc/51/90/89/969519089.db2.gz OTSCCUPDJDIVEM-KGLIPLIRSA-N 1 3 222.376 2.347 20 0 BEADHO C[C@H](CN)C[N@H+](C)C1CCc2ccccc2CC1 ZINC001254454865 969641654 /nfs/dbraw/zinc/64/16/54/969641654.db2.gz JCHPOKAHKOPQIB-CYBMUJFWSA-N 1 3 246.398 2.461 20 0 BEADHO C[C@H](CN)C[N@@H+](C)C1CCc2ccccc2CC1 ZINC001254454865 969641662 /nfs/dbraw/zinc/64/16/62/969641662.db2.gz JCHPOKAHKOPQIB-CYBMUJFWSA-N 1 3 246.398 2.461 20 0 BEADHO CN1CCC[C@@H]([NH+]2CCC3(CC3)CC2)CC1 ZINC001254518851 969701936 /nfs/dbraw/zinc/70/19/36/969701936.db2.gz FAAWJHZONVLOHF-CYBMUJFWSA-N 1 3 222.376 2.347 20 0 BEADHO CN(CCc1cccnc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525448 969717310 /nfs/dbraw/zinc/71/73/10/969717310.db2.gz ISMBUIRCJDXTGJ-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO CN(CCc1cccnc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525448 969717316 /nfs/dbraw/zinc/71/73/16/969717316.db2.gz ISMBUIRCJDXTGJ-OAHLLOKOSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](C)CN)cc1 ZINC001255779297 970481967 /nfs/dbraw/zinc/48/19/67/970481967.db2.gz AJKQLQDAHTULCW-KGLIPLIRSA-N 1 3 234.387 2.453 20 0 BEADHO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](C)CN)cc1 ZINC001255779297 970481977 /nfs/dbraw/zinc/48/19/77/970481977.db2.gz AJKQLQDAHTULCW-KGLIPLIRSA-N 1 3 234.387 2.453 20 0 BEADHO CC[C@H]1C[C@@H]([N@H+](CCCN)C(C)C)CCO1 ZINC001170171047 970543860 /nfs/dbraw/zinc/54/38/60/970543860.db2.gz OOUKXELEWBAUAR-STQMWFEESA-N 1 3 228.380 2.003 20 0 BEADHO CC[C@H]1C[C@@H]([N@@H+](CCCN)C(C)C)CCO1 ZINC001170171047 970543868 /nfs/dbraw/zinc/54/38/68/970543868.db2.gz OOUKXELEWBAUAR-STQMWFEESA-N 1 3 228.380 2.003 20 0 BEADHO C[C@@H]1C[N@H+](C[C@H]2CC3CCC2CC3)CC[C@@H]1N ZINC000400098114 970550113 /nfs/dbraw/zinc/55/01/13/970550113.db2.gz FFSDZUGPNASAHM-RUOPDXTDSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@H]2CC3CCC2CC3)CC[C@@H]1N ZINC000400098114 970550121 /nfs/dbraw/zinc/55/01/21/970550121.db2.gz FFSDZUGPNASAHM-RUOPDXTDSA-N 1 3 236.403 2.482 20 0 BEADHO NC[C@@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400131571 970550581 /nfs/dbraw/zinc/55/05/81/970550581.db2.gz VGFZHIKAIFMQNU-GNRIBBGQSA-N 1 3 222.376 2.093 20 0 BEADHO NC[C@@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000400131571 970550597 /nfs/dbraw/zinc/55/05/97/970550597.db2.gz VGFZHIKAIFMQNU-GNRIBBGQSA-N 1 3 222.376 2.093 20 0 BEADHO Cc1ncc(CN(C)CCCCCC[NH3+])s1 ZINC000400187163 970559526 /nfs/dbraw/zinc/55/95/26/970559526.db2.gz XJHZVKMUEIEWFB-UHFFFAOYSA-N 1 3 241.404 2.402 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CCOC(C)C ZINC001255941319 970568705 /nfs/dbraw/zinc/56/87/05/970568705.db2.gz OGUBPVIUIJFFPA-CYBMUJFWSA-N 1 3 230.396 2.121 20 0 BEADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(C)CC1 ZINC001255940936 970569844 /nfs/dbraw/zinc/56/98/44/970569844.db2.gz JJHSVOAFJBCULS-GFCCVEGCSA-N 1 3 212.381 2.497 20 0 BEADHO CC[NH+](CC)CC[C@H](C)NCCc1ccccn1 ZINC001255940297 970570528 /nfs/dbraw/zinc/57/05/28/970570528.db2.gz WCPTYEFYRJHKPJ-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@H]1C1CC1 ZINC001255954455 970590762 /nfs/dbraw/zinc/59/07/62/970590762.db2.gz DSRGRQFTQFCXJE-UBHSHLNASA-N 1 3 224.392 2.495 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246811816 973110961 /nfs/dbraw/zinc/11/09/61/973110961.db2.gz XMXHUXTUYZPDAC-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246811816 973110979 /nfs/dbraw/zinc/11/09/79/973110979.db2.gz XMXHUXTUYZPDAC-UPJWGTAASA-N 1 3 240.391 2.016 20 0 BEADHO CC1(C)CCC[C@H]([N@@H+]2C[C@@H]3CCNC[C@H]3C2)C1 ZINC001246848420 973152592 /nfs/dbraw/zinc/15/25/92/973152592.db2.gz VIAJSSHAJFGBNE-IHRRRGAJSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CCNC[C@H]3C2)C1 ZINC001246848420 973152603 /nfs/dbraw/zinc/15/26/03/973152603.db2.gz VIAJSSHAJFGBNE-IHRRRGAJSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC[C@H]([N@@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC001246848424 973153825 /nfs/dbraw/zinc/15/38/25/973153825.db2.gz VIAJSSHAJFGBNE-MJBXVCDLSA-N 1 3 236.403 2.497 20 0 BEADHO CC1(C)CCC[C@H]([N@H+]2C[C@@H]3CCNC[C@@H]3C2)C1 ZINC001246848424 973153848 /nfs/dbraw/zinc/15/38/48/973153848.db2.gz VIAJSSHAJFGBNE-MJBXVCDLSA-N 1 3 236.403 2.497 20 0 BEADHO Cc1c2[nH]cnc2ccc1NC[C@H]1CCCC[NH2+]1 ZINC001171333485 973856628 /nfs/dbraw/zinc/85/66/28/973856628.db2.gz DZJDQLKUILNARL-LLVKDONJSA-N 1 3 244.342 2.425 20 0 BEADHO CO[C@@H](C)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623252 974114927 /nfs/dbraw/zinc/11/49/27/974114927.db2.gz QEYOZHKTCZYRPH-NSHDSACASA-N 1 3 242.407 2.262 20 0 BEADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171783120 974172601 /nfs/dbraw/zinc/17/26/01/974172601.db2.gz KMKDATUIJBEPIS-RWMBFGLXSA-N 1 3 248.345 2.152 20 0 BEADHO CCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104282 974365464 /nfs/dbraw/zinc/36/54/64/974365464.db2.gz DTUZQCDTTRGJRD-BTTYYORXSA-N 1 3 240.391 2.018 20 0 BEADHO CCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104282 974365474 /nfs/dbraw/zinc/36/54/74/974365474.db2.gz DTUZQCDTTRGJRD-BTTYYORXSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OCC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001172434953 974744506 /nfs/dbraw/zinc/74/45/06/974744506.db2.gz WCZNMJNNONNWJH-ZDUSSCGKSA-N 1 3 230.396 2.249 20 0 BEADHO CC(C)OCC[C@H](C)[N@H+](CCCN)C(C)C ZINC001172434953 974744502 /nfs/dbraw/zinc/74/45/02/974744502.db2.gz WCZNMJNNONNWJH-ZDUSSCGKSA-N 1 3 230.396 2.249 20 0 BEADHO CC[C@@H](CC(C)C)[N@H+](C)C[C@H](C)CN ZINC001172394487 974746442 /nfs/dbraw/zinc/74/64/42/974746442.db2.gz VKQXHTTWFXWJOA-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@@H](CC(C)C)[N@@H+](C)C[C@H](C)CN ZINC001172394487 974746448 /nfs/dbraw/zinc/74/64/48/974746448.db2.gz VKQXHTTWFXWJOA-NEPJUHHUSA-N 1 3 200.370 2.338 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3ccccc3)[C@H]2C1 ZINC001204089095 974865456 /nfs/dbraw/zinc/86/54/56/974865456.db2.gz KSBIZZKVSZCIAG-KKUMJFAQSA-N 1 3 230.355 2.116 20 0 BEADHO [NH3+]CC1(N[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172557020 974869518 /nfs/dbraw/zinc/86/95/18/974869518.db2.gz NZYXVUSHAXNHRU-KGLIPLIRSA-N 1 3 230.355 2.404 20 0 BEADHO Cc1ccsc1CN1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206166605 974878775 /nfs/dbraw/zinc/87/87/75/974878775.db2.gz SSBOQKLITYFDEG-WDEREUQCSA-N 1 3 242.363 2.318 20 0 BEADHO Cc1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC001332877636 975304870 /nfs/dbraw/zinc/30/48/70/975304870.db2.gz IPQWTGWOGMJESN-GJZGRUSLSA-N 1 3 244.382 2.397 20 0 BEADHO C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001332991569 975358930 /nfs/dbraw/zinc/35/89/30/975358930.db2.gz QUGQJBCVFMVUPI-WCQYABFASA-N 1 3 210.365 2.201 20 0 BEADHO C[C@@H](C1CC1)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001332991569 975358939 /nfs/dbraw/zinc/35/89/39/975358939.db2.gz QUGQJBCVFMVUPI-WCQYABFASA-N 1 3 210.365 2.201 20 0 BEADHO C([C@H]1CCCNC1)[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001333529759 975833700 /nfs/dbraw/zinc/83/37/00/975833700.db2.gz QWICAXAWCMFCLG-APHBMKBZSA-N 1 3 248.414 2.497 20 0 BEADHO C([C@H]1CCCNC1)[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001333529759 975833702 /nfs/dbraw/zinc/83/37/02/975833702.db2.gz QWICAXAWCMFCLG-APHBMKBZSA-N 1 3 248.414 2.497 20 0 BEADHO C[N@@H+]1CCc2ccc(Nc3ccncc3)cc2C1 ZINC001173884074 975964284 /nfs/dbraw/zinc/96/42/84/975964284.db2.gz FYVLTAPNPXWISH-UHFFFAOYSA-N 1 3 239.322 2.235 20 0 BEADHO C[N@H+]1CCc2ccc(Nc3ccncc3)cc2C1 ZINC001173884074 975964317 /nfs/dbraw/zinc/96/43/17/975964317.db2.gz FYVLTAPNPXWISH-UHFFFAOYSA-N 1 3 239.322 2.235 20 0 BEADHO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccncc1 ZINC001336399551 977660820 /nfs/dbraw/zinc/66/08/20/977660820.db2.gz MSHGZTMQBLKUDJ-HNNXBMFYSA-N 1 3 247.386 2.426 20 0 BEADHO COCC[N@H+](Cc1cc2cnccc2[nH]1)C(C)C ZINC001232013740 977839280 /nfs/dbraw/zinc/83/92/80/977839280.db2.gz DMQVKBNLYXAQOU-UHFFFAOYSA-N 1 3 247.342 2.420 20 0 BEADHO COCC[N@@H+](Cc1cc2cnccc2[nH]1)C(C)C ZINC001232013740 977839284 /nfs/dbraw/zinc/83/92/84/977839284.db2.gz DMQVKBNLYXAQOU-UHFFFAOYSA-N 1 3 247.342 2.420 20 0 BEADHO Cc1cc(C)nc(NCC[C@H]2CCC[NH2+]2)c1 ZINC000721827378 978043771 /nfs/dbraw/zinc/04/37/71/978043771.db2.gz IVPBYAMJOSTGIX-GFCCVEGCSA-N 1 3 219.332 2.252 20 0 BEADHO Cc1cc(C)nc(NC2(C)CC[NH2+]CC2)c1 ZINC000721825955 978045355 /nfs/dbraw/zinc/04/53/55/978045355.db2.gz DXBMMAJBKMKJNE-UHFFFAOYSA-N 1 3 219.332 2.252 20 0 BEADHO c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC001337652087 978442870 /nfs/dbraw/zinc/44/28/70/978442870.db2.gz WRHZVJAQXWQLAP-AWEZNQCLSA-N 1 3 231.343 2.146 20 0 BEADHO Cc1cccc(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC001179818652 978760897 /nfs/dbraw/zinc/76/08/97/978760897.db2.gz ZFHBCDFYJIVSTM-HRCADAONSA-N 1 3 244.382 2.425 20 0 BEADHO C[NH+]1CCC(NCc2ccc3c(c2)CCC3)CC1 ZINC000070498481 978850626 /nfs/dbraw/zinc/85/06/26/978850626.db2.gz VNSLTSITIRLPMO-UHFFFAOYSA-N 1 3 244.382 2.359 20 0 BEADHO C[C@@H]1C[C@H]1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176300 978990806 /nfs/dbraw/zinc/99/08/06/978990806.db2.gz ZYZGNYNNUMFXQZ-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001235176300 978990814 /nfs/dbraw/zinc/99/08/14/978990814.db2.gz ZYZGNYNNUMFXQZ-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@]12CCCNC2 ZINC001235176300 978990823 /nfs/dbraw/zinc/99/08/23/978990823.db2.gz ZYZGNYNNUMFXQZ-RDBSUJKOSA-N 1 3 222.376 2.251 20 0 BEADHO C[C@@H](N)C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187262 978994407 /nfs/dbraw/zinc/99/44/07/978994407.db2.gz UWKNMVVHYCEMFO-CYBMUJFWSA-N 1 3 242.366 2.394 20 0 BEADHO CC1=CC[C@H](CC[N@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)C1(C)C ZINC001235209968 978998712 /nfs/dbraw/zinc/99/87/12/978998712.db2.gz GTSSRNQIZOKSQN-MQYQWHSLSA-N 1 3 234.387 2.258 20 0 BEADHO CC1=CC[C@H](CC[N@@H+]2C[C@@H]3[C@@H](N)[C@@H]3C2)C1(C)C ZINC001235209968 978998715 /nfs/dbraw/zinc/99/87/15/978998715.db2.gz GTSSRNQIZOKSQN-MQYQWHSLSA-N 1 3 234.387 2.258 20 0 BEADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210541 979001040 /nfs/dbraw/zinc/00/10/40/979001040.db2.gz LUBSBRGFOTUZPH-WUHRBBMRSA-N 1 3 210.365 2.092 20 0 BEADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001235210541 979001044 /nfs/dbraw/zinc/00/10/44/979001044.db2.gz LUBSBRGFOTUZPH-WUHRBBMRSA-N 1 3 210.365 2.092 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235409758 979037449 /nfs/dbraw/zinc/03/74/49/979037449.db2.gz WUTILDPETAWHJQ-MJBXVCDLSA-N 1 3 242.382 2.446 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235409758 979037453 /nfs/dbraw/zinc/03/74/53/979037453.db2.gz WUTILDPETAWHJQ-MJBXVCDLSA-N 1 3 242.382 2.446 20 0 BEADHO CCC(CC)C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235404154 979038494 /nfs/dbraw/zinc/03/84/94/979038494.db2.gz MTHQUWHGGKRQOU-UONOGXRCSA-N 1 3 242.382 2.446 20 0 BEADHO CCC(CC)C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235404154 979038499 /nfs/dbraw/zinc/03/84/99/979038499.db2.gz MTHQUWHGGKRQOU-UONOGXRCSA-N 1 3 242.382 2.446 20 0 BEADHO CC1(CN2C[C@@H]3CC[C@]3([NH3+])C2)CCCCC1 ZINC001235981992 979257466 /nfs/dbraw/zinc/25/74/66/979257466.db2.gz ZUAJVVIGKRLKEA-JSGCOSHPSA-N 1 3 222.376 2.380 20 0 BEADHO Cc1c(N)ccnc1-c1cccc2c1CC[NH2+]C2 ZINC001236343071 979541289 /nfs/dbraw/zinc/54/12/89/979541289.db2.gz HSUIMRNGCYDXOM-UHFFFAOYSA-N 1 3 239.322 2.285 20 0 BEADHO C1=CC[C@@H](C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001184135743 979945628 /nfs/dbraw/zinc/94/56/28/979945628.db2.gz VPMJAMFFALEXTC-UKRRQHHQSA-N 1 3 234.387 2.274 20 0 BEADHO C[C@@H](CNc1ccncc1)[N@@H+]1CCC[C@H](C)C1 ZINC001347773132 981168750 /nfs/dbraw/zinc/16/87/50/981168750.db2.gz UBXIWHSLLFJHHY-STQMWFEESA-N 1 3 233.359 2.036 20 0 BEADHO C[C@@H](CNc1ccncc1)[N@H+]1CCC[C@H](C)C1 ZINC001347773132 981168757 /nfs/dbraw/zinc/16/87/57/981168757.db2.gz UBXIWHSLLFJHHY-STQMWFEESA-N 1 3 233.359 2.036 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 ZINC001580896020 981727945 /nfs/dbraw/zinc/72/79/45/981727945.db2.gz XAHKYQKUYPVLCS-XRGAULLZSA-N 1 3 242.366 2.199 20 0 BEADHO CN1CCc2cc(C=C3CC[NH2+]CC3)ccc2C1 ZINC001240878375 981931108 /nfs/dbraw/zinc/93/11/08/981931108.db2.gz GWEQTBKWFWQYMH-UHFFFAOYSA-N 1 3 242.366 2.441 20 0 BEADHO CN1CC=C(c2ccccc2C2([NH3+])CC2)CC1 ZINC001241330115 982491283 /nfs/dbraw/zinc/49/12/83/982491283.db2.gz JOFNEEVWZCWTOY-UHFFFAOYSA-N 1 3 228.339 2.353 20 0 BEADHO C[C@@H]([NH3+])c1cccc(C2=CCN(C)CC2)c1 ZINC001241330518 982492187 /nfs/dbraw/zinc/49/21/87/982492187.db2.gz UVPYQNMTBBZXBH-LLVKDONJSA-N 1 3 216.328 2.425 20 0 BEADHO CCC(C)(C)[NH+]1CCN(c2ccncc2)CC1 ZINC001354028984 983116885 /nfs/dbraw/zinc/11/68/85/983116885.db2.gz KQLIDKVUKFSRJD-UHFFFAOYSA-N 1 3 233.359 2.392 20 0 BEADHO CCC(C)(C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001354028984 983116889 /nfs/dbraw/zinc/11/68/89/983116889.db2.gz KQLIDKVUKFSRJD-UHFFFAOYSA-N 1 3 233.359 2.392 20 0 BEADHO CC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201586902 983349757 /nfs/dbraw/zinc/34/97/57/983349757.db2.gz WNGVAPXNOWYUDP-QWHCGFSZSA-N 1 3 210.365 2.345 20 0 BEADHO CC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001201586902 983349769 /nfs/dbraw/zinc/34/97/69/983349769.db2.gz WNGVAPXNOWYUDP-QWHCGFSZSA-N 1 3 210.365 2.345 20 0 BEADHO CCCN1C[C@@H]2C[NH+](CCC(C)C)C[C@H]2C1 ZINC001201630303 983359731 /nfs/dbraw/zinc/35/97/31/983359731.db2.gz OUUSKBSFLUOSCE-ZIAGYGMSSA-N 1 3 224.392 2.306 20 0 BEADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccccc3)C[C@@H]21 ZINC001201606093 983371986 /nfs/dbraw/zinc/37/19/86/983371986.db2.gz IJZYYHDXBSEGEN-HOTGVXAUSA-N 1 3 244.382 2.255 20 0 BEADHO C[N@H+]1CCC[C@H]2CN(CCc3ccccc3)C[C@@H]21 ZINC001201606093 983371994 /nfs/dbraw/zinc/37/19/94/983371994.db2.gz IJZYYHDXBSEGEN-HOTGVXAUSA-N 1 3 244.382 2.255 20 0 BEADHO C[C@H](C[NH3+])NC1CC(C)(c2ccccc2)C1 ZINC001579476251 984279701 /nfs/dbraw/zinc/27/97/01/984279701.db2.gz ZLTWDJXIAAWOFI-LMWSTFAQSA-N 1 3 218.344 2.044 20 0 BEADHO C[NH2+]Cc1ccc(-c2cc(N)ccn2)cc1 ZINC001242989123 984353481 /nfs/dbraw/zinc/35/34/81/984353481.db2.gz VFKMWTXJWDZKJQ-UHFFFAOYSA-N 1 3 213.284 2.050 20 0 BEADHO c1ccc([C@H]2C[C@@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)cc1 ZINC001580891711 984624883 /nfs/dbraw/zinc/62/48/83/984624883.db2.gz FFTUGPSODQRQTR-SUJAAXHWSA-N 1 3 242.366 2.273 20 0 BEADHO C[NH2+][C@@]12CC[C@@](NCc3cc[nH]c3)(C1)CCC2 ZINC001276103520 984814672 /nfs/dbraw/zinc/81/46/72/984814672.db2.gz KOSGVINZZSCTNZ-UONOGXRCSA-N 1 3 233.359 2.169 20 0 BEADHO CCc1cccc(C[NH2+]C[C@H](N)CC)c1 ZINC001578266656 984918170 /nfs/dbraw/zinc/91/81/70/984918170.db2.gz OBAOBCWKXXFWMP-CYBMUJFWSA-N 1 3 206.333 2.076 20 0 BEADHO CO[C@H](CN[C@H](C[NH3+])C(C)(C)C)CC(C)C ZINC001578912783 985512123 /nfs/dbraw/zinc/51/21/23/985512123.db2.gz MENBBCLCOXQBFF-NWDGAFQWSA-N 1 3 230.396 2.011 20 0 BEADHO C(CNC1CC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000688239843 985585771 /nfs/dbraw/zinc/58/57/71/985585771.db2.gz NAGZOXYOLVFRDH-CQSZACIVSA-N 1 3 222.376 2.393 20 0 BEADHO C(CNC1CC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000688239843 985585784 /nfs/dbraw/zinc/58/57/84/985585784.db2.gz NAGZOXYOLVFRDH-CQSZACIVSA-N 1 3 222.376 2.393 20 0 BEADHO COc1ccc(C2=C[NH2+]CCC2)c(CN(C)C)c1 ZINC001243951196 985653237 /nfs/dbraw/zinc/65/32/37/985653237.db2.gz CHNDFDLHRUNOEJ-UHFFFAOYSA-N 1 3 246.354 2.481 20 0 BEADHO C[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1CN ZINC001579440290 985928424 /nfs/dbraw/zinc/92/84/24/985928424.db2.gz TXQUUQWEBOHLPO-DGCLKSJQSA-N 1 3 222.376 2.093 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1CN ZINC001579440290 985928440 /nfs/dbraw/zinc/92/84/40/985928440.db2.gz TXQUUQWEBOHLPO-DGCLKSJQSA-N 1 3 222.376 2.093 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)[C@@H]2C1 ZINC001462674649 986501681 /nfs/dbraw/zinc/50/16/81/986501681.db2.gz YXXHIYMLCXKQJR-RBZJEDDUSA-N 1 3 248.414 2.495 20 0 BEADHO [NH3+][C@]12CCC[C@@H]1CN(CC1CC3(CCC3)C1)C2 ZINC001580158560 986632098 /nfs/dbraw/zinc/63/20/98/986632098.db2.gz SUKBRYOTICYQAQ-HIFRSBDPSA-N 1 3 234.387 2.380 20 0 BEADHO CN1CCC[C@H]([N@@H+]2CCCCC23CC3)CC1 ZINC001254525741 986661246 /nfs/dbraw/zinc/66/12/46/986661246.db2.gz LSZMIWFVRCHUDJ-ZDUSSCGKSA-N 1 3 222.376 2.489 20 0 BEADHO CN1CCC[C@H]([N@H+]2CCCCC23CC3)CC1 ZINC001254525741 986661260 /nfs/dbraw/zinc/66/12/60/986661260.db2.gz LSZMIWFVRCHUDJ-ZDUSSCGKSA-N 1 3 222.376 2.489 20 0 BEADHO [NH3+]CCCN1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001580298692 986736921 /nfs/dbraw/zinc/73/69/21/986736921.db2.gz YIRRYLTWRHGKKN-AWEZNQCLSA-N 1 3 248.370 2.138 20 0 BEADHO NCCC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001580298692 986736932 /nfs/dbraw/zinc/73/69/32/986736932.db2.gz YIRRYLTWRHGKKN-AWEZNQCLSA-N 1 3 248.370 2.138 20 0 BEADHO NCCC[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001580298692 986736945 /nfs/dbraw/zinc/73/69/45/986736945.db2.gz YIRRYLTWRHGKKN-AWEZNQCLSA-N 1 3 248.370 2.138 20 0 BEADHO C[C@H](N)[C@H]1CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657810 987288176 /nfs/dbraw/zinc/28/81/76/987288176.db2.gz AIQKXNBCFRNUME-HKKVPVCXSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000691657810 987288190 /nfs/dbraw/zinc/28/81/90/987288190.db2.gz AIQKXNBCFRNUME-HKKVPVCXSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CCNCC1 ZINC001246077183 987369540 /nfs/dbraw/zinc/36/95/40/987369540.db2.gz HWEZHIGQGYOVEF-LLVKDONJSA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2(C)CCCCC2)CCN1 ZINC001246080748 987375425 /nfs/dbraw/zinc/37/54/25/987375425.db2.gz JQASRWZKMWPGNU-RYUDHWBXSA-N 1 3 210.365 2.439 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCN[C@@H](C)C2)cc1 ZINC001246094065 987403109 /nfs/dbraw/zinc/40/31/09/987403109.db2.gz FORSHUAZPVABPG-DZGCQCFKSA-N 1 3 232.371 2.268 20 0 BEADHO C[C@H]1CNC[C@@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001246108743 987440783 /nfs/dbraw/zinc/44/07/83/987440783.db2.gz MRTLBRBZQWCLME-VOAKCMCISA-N 1 3 224.392 2.399 20 0 BEADHO CC[C@@H](C)OCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116402 987454589 /nfs/dbraw/zinc/45/45/89/987454589.db2.gz DWJITQKHVLKKSO-XJFOESAGSA-N 1 3 242.407 2.168 20 0 BEADHO CC1(C)CC(N[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC001246130806 987480928 /nfs/dbraw/zinc/48/09/28/987480928.db2.gz VUPNHWDTQILEHN-NSHDSACASA-N 1 3 240.391 2.064 20 0 BEADHO CC1(C)CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246134714 987488154 /nfs/dbraw/zinc/48/81/54/987488154.db2.gz RWFZNQAVCXCNFI-LBPRGKRZSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CNCC23CC3)C[C@H]1C ZINC001246135228 987490171 /nfs/dbraw/zinc/49/01/71/987490171.db2.gz SYORIVJODBGVPE-NDBYEHHHSA-N 1 3 222.376 2.153 20 0 BEADHO CCC[C@@H](C)CC[C@H](C)N[C@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246147118 987501990 /nfs/dbraw/zinc/50/19/90/987501990.db2.gz LBHJASKSCWHGJJ-XHJNMGKDSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CCCc2cccs2)CCN1 ZINC001246171514 987538054 /nfs/dbraw/zinc/53/80/54/987538054.db2.gz WHLQINKITSLFKF-RYUDHWBXSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H]1C[C@H](NC[C@@H]2CC[NH2+]2)CC(C)(C)C1 ZINC001246192674 987577415 /nfs/dbraw/zinc/57/74/15/987577415.db2.gz JHPGLFIUQJOVBS-WOPDTQHZSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246230730 987630373 /nfs/dbraw/zinc/63/03/73/987630373.db2.gz LLTSJXCPBKRQKN-XQQFMLRXSA-N 1 3 242.407 2.046 20 0 BEADHO CC(C)C([NH2+][C@@H]1CCN[C@H](C)C1)C(C)C ZINC001246237594 987635149 /nfs/dbraw/zinc/63/51/49/987635149.db2.gz PDQAQZMPOJCSAW-VXGBXAGGSA-N 1 3 212.381 2.397 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1 ZINC001246242300 987645351 /nfs/dbraw/zinc/64/53/51/987645351.db2.gz DCMVDFQFPFSAHH-WCQYABFASA-N 1 3 210.365 2.439 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CN)C[C@@H]1C ZINC001246243445 987646688 /nfs/dbraw/zinc/64/66/88/987646688.db2.gz GKEFDWYGYPYNCF-WOPDTQHZSA-N 1 3 212.381 2.386 20 0 BEADHO CC1(C)CCC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC001246283459 987679815 /nfs/dbraw/zinc/67/98/15/987679815.db2.gz CEIQGIYYLZREBG-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1CCc2cccc(F)c2C1 ZINC001246303263 987701909 /nfs/dbraw/zinc/70/19/09/987701909.db2.gz FSFRIJWRAPYGFN-CMPLNLGQSA-N 1 3 236.334 2.010 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001246314926 987721538 /nfs/dbraw/zinc/72/15/38/987721538.db2.gz RHCCJNJWNLQCFL-RYUDHWBXSA-N 1 3 236.384 2.030 20 0 BEADHO c1ccc(CCCCN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246338104 987741179 /nfs/dbraw/zinc/74/11/79/987741179.db2.gz AALRNXNUUPOTDA-OAHLLOKOSA-N 1 3 232.371 2.351 20 0 BEADHO C[C@H]1C[C@H]([NH2+]C2(C)Cc3ccccc3C2)CCN1 ZINC001246352577 987760450 /nfs/dbraw/zinc/76/04/50/987760450.db2.gz SDHGHTPTGOMFCD-SWLSCSKDSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246354106 987761089 /nfs/dbraw/zinc/76/10/89/987761089.db2.gz UKVPLUPGNJZPNX-YRGRVCCFSA-N 1 3 248.370 2.053 20 0 BEADHO C[C@H]1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246363048 987772641 /nfs/dbraw/zinc/77/26/41/987772641.db2.gz OPSPVZOOYBNHSQ-FRRDWIJNSA-N 1 3 210.365 2.297 20 0 BEADHO CCCC1(N[C@@H]2CC[C@H](C)[NH2+]C2)CCC1 ZINC001246387007 987781311 /nfs/dbraw/zinc/78/13/11/987781311.db2.gz QVTMWKCQFDXRBT-NWDGAFQWSA-N 1 3 210.365 2.439 20 0 BEADHO Fc1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC001246399567 987783625 /nfs/dbraw/zinc/78/36/25/987783625.db2.gz ZKOOEWOGJYJDOU-HNNXBMFYSA-N 1 3 248.345 2.025 20 0 BEADHO C[C@H]1C[C@@H](NC(C)(C)Cc2ccccn2)CC[NH2+]1 ZINC001246432851 987793722 /nfs/dbraw/zinc/79/37/22/987793722.db2.gz IDRFBNURGBYYEM-STQMWFEESA-N 1 3 247.386 2.133 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]C(C)(C)Cc2ccccn2)CCN1 ZINC001246432851 987793727 /nfs/dbraw/zinc/79/37/27/987793727.db2.gz IDRFBNURGBYYEM-STQMWFEESA-N 1 3 247.386 2.133 20 0 BEADHO C[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)CCN1 ZINC001246430957 987795387 /nfs/dbraw/zinc/79/53/87/987795387.db2.gz HQZOBZJCZUKCEB-WCQYABFASA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446829 987804684 /nfs/dbraw/zinc/80/46/84/987804684.db2.gz UGCNJZDOFRQJDB-VXGBXAGGSA-N 1 3 208.349 2.073 20 0 BEADHO CC(C)=CCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446829 987804687 /nfs/dbraw/zinc/80/46/87/987804687.db2.gz UGCNJZDOFRQJDB-VXGBXAGGSA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(F)cc3C2)CC[NH2+]1 ZINC001246451896 987809575 /nfs/dbraw/zinc/80/95/75/987809575.db2.gz IFIOPLPUHFROKX-WKPIXPDZSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(F)cc3C2)CCN1 ZINC001246451896 987809577 /nfs/dbraw/zinc/80/95/77/987809577.db2.gz IFIOPLPUHFROKX-WKPIXPDZSA-N 1 3 248.345 2.023 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(N)C2)C[C@@H]1C ZINC001246460738 987820215 /nfs/dbraw/zinc/82/02/15/987820215.db2.gz MUCBLPDSXMTJLN-MLGHIDQZSA-N 1 3 210.365 2.281 20 0 BEADHO CCCCC[C@H](CC)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246463846 987824204 /nfs/dbraw/zinc/82/42/04/987824204.db2.gz HQGGQBRCXIEQIO-MJBXVCDLSA-N 1 3 242.407 2.312 20 0 BEADHO CC(C)[NH2+]CCN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001246467634 987825331 /nfs/dbraw/zinc/82/53/31/987825331.db2.gz ZJJFXJNEVGWQBZ-YNEHKIRRSA-N 1 3 212.381 2.399 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001246494795 987849318 /nfs/dbraw/zinc/84/93/18/987849318.db2.gz HTBLJIUNSHFWBL-UZWSLXQKSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](NC)C1 ZINC001246496364 987850049 /nfs/dbraw/zinc/85/00/49/987850049.db2.gz MYALZVZRYRYQRQ-SOUVJXGZSA-N 1 3 232.371 2.348 20 0 BEADHO CC[C@@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH2+]C)C1 ZINC001246496364 987850053 /nfs/dbraw/zinc/85/00/53/987850053.db2.gz MYALZVZRYRYQRQ-SOUVJXGZSA-N 1 3 232.371 2.348 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@H]2CCc3c(C)cccc3C2)C1 ZINC001246496214 987850069 /nfs/dbraw/zinc/85/00/69/987850069.db2.gz NNFVKQZKIDPQQP-SOUVJXGZSA-N 1 3 244.382 2.192 20 0 BEADHO C[NH2+][C@H]1C[C@@H](N[C@H]2CCc3c(C)cccc3C2)C1 ZINC001246496214 987850071 /nfs/dbraw/zinc/85/00/71/987850071.db2.gz NNFVKQZKIDPQQP-SOUVJXGZSA-N 1 3 244.382 2.192 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC001246495018 987850345 /nfs/dbraw/zinc/85/03/45/987850345.db2.gz JCMQCZMQVGTARB-RWMBFGLXSA-N 1 3 210.365 2.461 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001246496631 987851161 /nfs/dbraw/zinc/85/11/61/987851161.db2.gz PEMDERSRFFMBNC-IEECTRCBSA-N 1 3 210.365 2.151 20 0 BEADHO C[NH2+][C@H]1C[C@@H](N[C@H](C)Cc2ccc(C)cc2)C1 ZINC001246499036 987853305 /nfs/dbraw/zinc/85/33/05/987853305.db2.gz RLYQEELPIZHYRM-YUELXQCFSA-N 1 3 232.371 2.266 20 0 BEADHO CN[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(C)cc2)C1 ZINC001246499036 987853308 /nfs/dbraw/zinc/85/33/08/987853308.db2.gz RLYQEELPIZHYRM-YUELXQCFSA-N 1 3 232.371 2.266 20 0 BEADHO CC[C@H]1CC[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001246499047 987854513 /nfs/dbraw/zinc/85/45/13/987854513.db2.gz RPGQDVYIJKLATB-XQHKEYJVSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C)[C@H](C)C2)C[C@H]1CN ZINC001246541670 987910115 /nfs/dbraw/zinc/91/01/15/987910115.db2.gz MNKURBWAUIAWSS-RKQHYHRCSA-N 1 3 224.392 2.338 20 0 BEADHO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C)[C@H](C)C2)C[C@H]1CN ZINC001246541670 987910122 /nfs/dbraw/zinc/91/01/22/987910122.db2.gz MNKURBWAUIAWSS-RKQHYHRCSA-N 1 3 224.392 2.338 20 0 BEADHO Cc1ccc(C[C@H](C)[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246544727 987919353 /nfs/dbraw/zinc/91/93/53/987919353.db2.gz YKAYBTQKAXMKEV-OFQRWUPVSA-N 1 3 246.398 2.453 20 0 BEADHO Cc1ccc(C[C@H](C)[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC001246544727 987919367 /nfs/dbraw/zinc/91/93/67/987919367.db2.gz YKAYBTQKAXMKEV-OFQRWUPVSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@@H]1C[C@@H](N2CC[C@H](C)C(F)(F)CC2)CC[NH2+]1 ZINC001246563960 988011028 /nfs/dbraw/zinc/01/10/28/988011028.db2.gz DMGBCWRJVBQELN-TUAOUCFPSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](C)C(F)(F)CC2)CCN1 ZINC001246563960 988011039 /nfs/dbraw/zinc/01/10/39/988011039.db2.gz DMGBCWRJVBQELN-TUAOUCFPSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](C)C(F)(F)CC2)CCN1 ZINC001246563960 988011064 /nfs/dbraw/zinc/01/10/64/988011064.db2.gz DMGBCWRJVBQELN-TUAOUCFPSA-N 1 3 246.345 2.494 20 0 BEADHO CC1([NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC001118118924 988019114 /nfs/dbraw/zinc/01/91/14/988019114.db2.gz KQDNVEDJDQBJML-VXGBXAGGSA-N 1 3 202.301 2.273 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@H](C)C2)CCN1 ZINC001246578140 988087904 /nfs/dbraw/zinc/08/79/04/988087904.db2.gz YJQMPHGCOLYBLB-AAVRWANBSA-N 1 3 224.392 2.495 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H](C)C2)CCN1 ZINC001246578140 988087920 /nfs/dbraw/zinc/08/79/20/988087920.db2.gz YJQMPHGCOLYBLB-AAVRWANBSA-N 1 3 224.392 2.495 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@@H+]3CCCC[C@@H](CN)C3)C[C@@H]21 ZINC001246584946 988136054 /nfs/dbraw/zinc/13/60/54/988136054.db2.gz XBBWFQLWPIYKRX-FQUUOJAGSA-N 1 3 236.403 2.482 20 0 BEADHO CC1(C)[C@@H]2C[C@H]([N@H+]3CCCC[C@@H](CN)C3)C[C@@H]21 ZINC001246584946 988136067 /nfs/dbraw/zinc/13/60/67/988136067.db2.gz XBBWFQLWPIYKRX-FQUUOJAGSA-N 1 3 236.403 2.482 20 0 BEADHO C[C@H](Cc1ccccn1)N1CCCC[C@@H](C[NH3+])C1 ZINC001246592530 988180257 /nfs/dbraw/zinc/18/02/57/988180257.db2.gz KBGCQTOZJRHHAP-KGLIPLIRSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccccn1)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246592530 988180271 /nfs/dbraw/zinc/18/02/71/988180271.db2.gz KBGCQTOZJRHHAP-KGLIPLIRSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H](Cc1ccccn1)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246592530 988180296 /nfs/dbraw/zinc/18/02/96/988180296.db2.gz KBGCQTOZJRHHAP-KGLIPLIRSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@H]1CC([NH+]2CC(C)(CN)C2)C[C@H](C)C1 ZINC001246599697 988202793 /nfs/dbraw/zinc/20/27/93/988202793.db2.gz PWBHJUYAGIKRRD-GHMZBOCLSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H]([NH+]2CC(C)(CN)C2)CC(C)(C)C1 ZINC001246601274 988207976 /nfs/dbraw/zinc/20/79/76/988207976.db2.gz UNTSXLUKAHVPAW-VXGBXAGGSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@@H](C)C[C@H](CC)[NH+]1CC(C)(CN)C1 ZINC001246602425 988217640 /nfs/dbraw/zinc/21/76/40/988217640.db2.gz XIKVOOBDSNPDFT-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@H]1C ZINC001246617539 988250563 /nfs/dbraw/zinc/25/05/63/988250563.db2.gz DBILPCBQUSZUSJ-NIFZNCRKSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@H]1C ZINC001246617539 988250592 /nfs/dbraw/zinc/25/05/92/988250592.db2.gz DBILPCBQUSZUSJ-NIFZNCRKSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H]1C ZINC001246617538 988256605 /nfs/dbraw/zinc/25/66/05/988256605.db2.gz DBILPCBQUSZUSJ-GZBLMMOJSA-N 1 3 236.403 2.495 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3CNCC[C@H]32)C[C@@H]1C ZINC001246617538 988256622 /nfs/dbraw/zinc/25/66/22/988256622.db2.gz DBILPCBQUSZUSJ-GZBLMMOJSA-N 1 3 236.403 2.495 20 0 BEADHO CC1(C)CCC[C@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629779 988305933 /nfs/dbraw/zinc/30/59/33/988305933.db2.gz GLOOVYGWHCNHOJ-RWMBFGLXSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CCC[C@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C1 ZINC001246629779 988305953 /nfs/dbraw/zinc/30/59/53/988305953.db2.gz GLOOVYGWHCNHOJ-RWMBFGLXSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636637 988331575 /nfs/dbraw/zinc/33/15/75/988331575.db2.gz DFAIOMYZQYYYNN-YFKTTZPYSA-N 1 3 244.329 2.104 20 0 BEADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CCN1 ZINC001246636637 988331600 /nfs/dbraw/zinc/33/16/00/988331600.db2.gz DFAIOMYZQYYYNN-YFKTTZPYSA-N 1 3 244.329 2.104 20 0 BEADHO CC1(C)CC[C@H]([N@@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246638519 988339009 /nfs/dbraw/zinc/33/90/09/988339009.db2.gz LXMAQSREJVZZSX-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@H]([N@H+]2CC[C@H]3NCC[C@H]32)C1 ZINC001246638519 988339031 /nfs/dbraw/zinc/33/90/31/988339031.db2.gz LXMAQSREJVZZSX-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246638519 988339044 /nfs/dbraw/zinc/33/90/44/988339044.db2.gz LXMAQSREJVZZSX-QJPTWQEYSA-N 1 3 208.349 2.001 20 0 BEADHO CC[C@H]1CC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246644306 988354006 /nfs/dbraw/zinc/35/40/06/988354006.db2.gz SBRGLLAOYXLWIT-QNWHQSFQSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H]1C ZINC001246647145 988364238 /nfs/dbraw/zinc/36/42/38/988364238.db2.gz ZEYVORMFGNMNBC-XGFWRYKXSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3NCC[C@H]32)C[C@H]1C ZINC001246647145 988364248 /nfs/dbraw/zinc/36/42/48/988364248.db2.gz ZEYVORMFGNMNBC-XGFWRYKXSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3NCC[C@H]32)C[C@H]1C ZINC001246647145 988364258 /nfs/dbraw/zinc/36/42/58/988364258.db2.gz ZEYVORMFGNMNBC-XGFWRYKXSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CN1 ZINC001246655753 988385435 /nfs/dbraw/zinc/38/54/35/988385435.db2.gz KPWDWZPXUFMISZ-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CCC[C@H]3C2)CN1 ZINC001246655753 988385444 /nfs/dbraw/zinc/38/54/44/988385444.db2.gz KPWDWZPXUFMISZ-RFGFWPKPSA-N 1 3 222.376 2.249 20 0 BEADHO CCc1ccc(C[C@H](C)N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001246667058 988411475 /nfs/dbraw/zinc/41/14/75/988411475.db2.gz XPUHYORMDQDULT-KSYCFECVSA-N 1 3 244.382 2.069 20 0 BEADHO CC(C)CC[C@H](C)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246862120 988597687 /nfs/dbraw/zinc/59/76/87/988597687.db2.gz QBMRWEPKEWYPEA-AVGNSLFASA-N 1 3 210.365 2.234 20 0 BEADHO C[C@H]1CC(N2C[C@H]3CC[C@@H](C2)[NH2+]C3)C[C@H](C)C1 ZINC001246867369 988623268 /nfs/dbraw/zinc/62/32/68/988623268.db2.gz OEVQJGQZKMAOAK-MQYQWHSLSA-N 1 3 236.403 2.495 20 0 BEADHO CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCCCC1 ZINC001246939039 988765850 /nfs/dbraw/zinc/76/58/50/988765850.db2.gz ACUABZDPSTTYAG-WDNDVIMCSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H](N)C[N@H+](C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246982496 988815313 /nfs/dbraw/zinc/81/53/13/988815313.db2.gz WTOQZMKYKLOUEA-TVQRCGJNSA-N 1 3 238.762 2.086 20 0 BEADHO C[C@H](N)C[N@@H+](C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246982496 988815319 /nfs/dbraw/zinc/81/53/19/988815319.db2.gz WTOQZMKYKLOUEA-TVQRCGJNSA-N 1 3 238.762 2.086 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C/C=C\C1CC1 ZINC001326036391 989335816 /nfs/dbraw/zinc/33/58/16/989335816.db2.gz QKTGMJYVULWBSQ-BYCRGOAPSA-N 1 3 245.370 2.466 20 0 BEADHO C[C@@H](Cc1ccco1)[NH2+]C(C)(C)C(C)(C)N ZINC001258181031 991081869 /nfs/dbraw/zinc/08/18/69/991081869.db2.gz HPZLZGUOYZZILU-JTQLQIEISA-N 1 3 224.348 2.316 20 0 BEADHO CSCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258215378 991134878 /nfs/dbraw/zinc/13/48/78/991134878.db2.gz BFMROGRSDWLZNO-UPJWGTAASA-N 1 3 242.432 2.012 20 0 BEADHO CSCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258215378 991134887 /nfs/dbraw/zinc/13/48/87/991134887.db2.gz BFMROGRSDWLZNO-UPJWGTAASA-N 1 3 242.432 2.012 20 0 BEADHO CSCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258215379 991138236 /nfs/dbraw/zinc/13/82/36/991138236.db2.gz BFMROGRSDWLZNO-XQQFMLRXSA-N 1 3 242.432 2.012 20 0 BEADHO CSCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001258215379 991138242 /nfs/dbraw/zinc/13/82/42/991138242.db2.gz BFMROGRSDWLZNO-XQQFMLRXSA-N 1 3 242.432 2.012 20 0 BEADHO CSC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)CN ZINC001258333931 991259811 /nfs/dbraw/zinc/25/98/11/991259811.db2.gz QISIDTPLZGASIB-UWVGGRQHSA-N 1 3 218.410 2.091 20 0 BEADHO CCC[NH+]1CCC(NC[C@H]2CC(C)(C)O2)CC1 ZINC001258766540 991722939 /nfs/dbraw/zinc/72/29/39/991722939.db2.gz XRQGFOAXSLNADF-CYBMUJFWSA-N 1 3 240.391 2.018 20 0 BEADHO CCCN1CCC([NH2+]Cc2ccc(C)n2C)CC1 ZINC001258766070 991723839 /nfs/dbraw/zinc/72/38/39/991723839.db2.gz LRUSIVKXNOEQRH-UHFFFAOYSA-N 1 3 249.402 2.298 20 0 BEADHO CCCN1CCC([N@@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001258771669 991740652 /nfs/dbraw/zinc/74/06/52/991740652.db2.gz NTPBAFOUGGXIBY-NEPJUHHUSA-N 1 3 228.355 2.293 20 0 BEADHO CCCN1CCC([N@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001258771669 991740663 /nfs/dbraw/zinc/74/06/63/991740663.db2.gz NTPBAFOUGGXIBY-NEPJUHHUSA-N 1 3 228.355 2.293 20 0 BEADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccno1 ZINC001258897987 991892520 /nfs/dbraw/zinc/89/25/20/991892520.db2.gz QPIWNLNVOPTEOH-GFCCVEGCSA-N 1 3 239.363 2.275 20 0 BEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1 ZINC001262671530 993013074 /nfs/dbraw/zinc/01/30/74/993013074.db2.gz IYBIUDJHOOKODO-MJBXVCDLSA-N 1 3 247.386 2.282 20 0 BEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccncc1 ZINC001262671530 993013079 /nfs/dbraw/zinc/01/30/79/993013079.db2.gz IYBIUDJHOOKODO-MJBXVCDLSA-N 1 3 247.386 2.282 20 0 BEADHO CC(C)[C@@H](CN)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001575423816 993042226 /nfs/dbraw/zinc/04/22/26/993042226.db2.gz YPBYGDFYDFQJPZ-KGLIPLIRSA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)[C@@H](CN)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC001575423816 993042229 /nfs/dbraw/zinc/04/22/29/993042229.db2.gz YPBYGDFYDFQJPZ-KGLIPLIRSA-N 1 3 224.392 2.339 20 0 BEADHO CC(C)OC1(CNCC(C)(C)[NH3+])CCCCC1 ZINC001575749549 993105390 /nfs/dbraw/zinc/10/53/90/993105390.db2.gz HNVJACXFAKWJKE-UHFFFAOYSA-N 1 3 242.407 2.441 20 0 BEADHO C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCN1 ZINC001575965750 993143193 /nfs/dbraw/zinc/14/31/93/993143193.db2.gz FHUSVRMKBZFBKR-AAEUAGOBSA-N 1 3 236.334 2.098 20 0 BEADHO C[C@H](CCc1ccccc1)C[NH2+]CC1CNC1 ZINC001575965593 993143843 /nfs/dbraw/zinc/14/38/43/993143843.db2.gz AGIUXFGRXKIFFV-CYBMUJFWSA-N 1 3 232.371 2.064 20 0 BEADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC001576102173 993180215 /nfs/dbraw/zinc/18/02/15/993180215.db2.gz CBCVUDYRJWBFGG-VXGBXAGGSA-N 1 3 232.371 2.391 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@@H](N[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC001576648385 993385041 /nfs/dbraw/zinc/38/50/41/993385041.db2.gz YLNXSWLIRCAFNO-TVQXOTEMSA-N 1 3 222.376 2.294 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877408 993430027 /nfs/dbraw/zinc/43/00/27/993430027.db2.gz NMNXCDDLJRNACS-MQYQWHSLSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCN1 ZINC000381877408 993430033 /nfs/dbraw/zinc/43/00/33/993430033.db2.gz NMNXCDDLJRNACS-MQYQWHSLSA-N 1 3 222.376 2.249 20 0 BEADHO C[C@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851120 993433542 /nfs/dbraw/zinc/43/35/42/993433542.db2.gz XWJZCVPCYWFEBK-CABNGKKXSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H]2C2CCC2)C1 ZINC001576851122 993434849 /nfs/dbraw/zinc/43/48/49/993434849.db2.gz XWJZCVPCYWFEBK-DEQVHRJGSA-N 1 3 222.376 2.010 20 0 BEADHO CC[C@H](CC(F)(F)F)NC[C@@H]1CCC[NH2+]C1 ZINC001577044914 993486767 /nfs/dbraw/zinc/48/67/67/993486767.db2.gz XFGGPACNEIQJBA-NXEZZACHSA-N 1 3 238.297 2.307 20 0 BEADHO CC[C@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@@H]1C ZINC001577262527 993571247 /nfs/dbraw/zinc/57/12/47/993571247.db2.gz IPIHVMBYMIGTHE-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO CC[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@@H]1C ZINC001577262527 993571261 /nfs/dbraw/zinc/57/12/61/993571261.db2.gz IPIHVMBYMIGTHE-UPJWGTAASA-N 1 3 210.365 2.106 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CCNC[C@@H](C)C1 ZINC000385292878 993656285 /nfs/dbraw/zinc/65/62/85/993656285.db2.gz GQCBIOTWDFJIKK-GFCCVEGCSA-N 1 3 232.371 2.345 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CCNC[C@@H](C)C1 ZINC000385292878 993656291 /nfs/dbraw/zinc/65/62/91/993656291.db2.gz GQCBIOTWDFJIKK-GFCCVEGCSA-N 1 3 232.371 2.345 20 0 BEADHO N#Cc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC000386338141 993684761 /nfs/dbraw/zinc/68/47/61/993684761.db2.gz LDDNTCPFYKSRAP-OAHLLOKOSA-N 1 3 243.354 2.119 20 0 BEADHO CC[N@H+](C[C@@H](C)OC)C[C@@H](N)CCC(C)(C)C ZINC001577672056 993718218 /nfs/dbraw/zinc/71/82/18/993718218.db2.gz SETSLJDYAWDXOO-OLZOCXBDSA-N 1 3 244.423 2.497 20 0 BEADHO CC[N@@H+](C[C@@H](C)OC)C[C@@H](N)CCC(C)(C)C ZINC001577672056 993718225 /nfs/dbraw/zinc/71/82/25/993718225.db2.gz SETSLJDYAWDXOO-OLZOCXBDSA-N 1 3 244.423 2.497 20 0 BEADHO [NH3+]C[C@@H]1CCCCN(CCCC(F)(F)F)C1 ZINC000390495847 993790688 /nfs/dbraw/zinc/79/06/88/993790688.db2.gz RFFXGKREZDHTBX-JTQLQIEISA-N 1 3 238.297 2.390 20 0 BEADHO CC1CCC([NH+]2CCC(C)(N)CC2)CC1 ZINC000393758274 994002764 /nfs/dbraw/zinc/00/27/64/994002764.db2.gz JIHDQMKEYCUXMY-UHFFFAOYSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H]([NH2+]CC2(C)CCCC2)CCN1 ZINC000821987773 994418039 /nfs/dbraw/zinc/41/80/39/994418039.db2.gz GOPKLBLPXNWZQL-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)C1(C)CC1 ZINC000822125231 994418983 /nfs/dbraw/zinc/41/89/83/994418983.db2.gz RYOJCQFGHWWNOL-VXGBXAGGSA-N 1 3 210.365 2.249 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCc2ccccc21 ZINC001334389934 994588670 /nfs/dbraw/zinc/58/86/70/994588670.db2.gz KJPHHWZTUQXFDS-NOLJZWGESA-N 1 3 244.382 2.447 20 0 BEADHO CC(C)C[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001620483117 1170673962 /nfs/dbraw/zinc/67/39/62/1170673962.db2.gz DYCKRVVAAYYIBG-MCIONIFRSA-N 1 3 224.392 2.305 20 0 BEADHO CC(C)C[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001620483117 1170673965 /nfs/dbraw/zinc/67/39/65/1170673965.db2.gz DYCKRVVAAYYIBG-MCIONIFRSA-N 1 3 224.392 2.305 20 0 BEADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCCCC3)[C@H]2C1 ZINC001621107914 1170715538 /nfs/dbraw/zinc/71/55/38/1170715538.db2.gz CQWDGDSIFGGARO-FPMFFAJLSA-N 1 3 222.376 2.249 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCCCC3)[C@H]2C1 ZINC001621107916 1170717860 /nfs/dbraw/zinc/71/78/60/1170717860.db2.gz CQWDGDSIFGGARO-UBHSHLNASA-N 1 3 222.376 2.249 20 0 BEADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC34CCC4)[C@H]2C1 ZINC001621570236 1170855590 /nfs/dbraw/zinc/85/55/90/1170855590.db2.gz NZOXIQQEMNPGEH-XDQVBPFNSA-N 1 3 234.387 2.249 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001621570544 1170858236 /nfs/dbraw/zinc/85/82/36/1170858236.db2.gz WYYBWVJIZJGHDY-IKOXMDCHSA-N 1 3 222.376 2.105 20 0 BEADHO C[NH2+]CCCN1CCC(C(C)(C)C)CC1 ZINC000050347833 1171796730 /nfs/dbraw/zinc/79/67/30/1171796730.db2.gz BJXPFTRITGHYOS-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO C1=C(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000385161156 398137567 /nfs/dbraw/zinc/13/75/67/398137567.db2.gz LGXHNRLEPRCWSA-ZIAGYGMSSA-N 1 3 220.360 2.028 20 0 BEADHO CCCC[NH+]1CCC(N[C@@H](CC)COC)CC1 ZINC000079712270 136210417 /nfs/dbraw/zinc/21/04/17/136210417.db2.gz DBBGUFDIWZLABK-ZDUSSCGKSA-N 1 3 242.407 2.266 20 0 BEADHO CO[C@H](CN1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000379241320 398141464 /nfs/dbraw/zinc/14/14/64/398141464.db2.gz WZKTUCDRJVNGKP-KCQAQPDRSA-N 1 3 248.370 2.043 20 0 BEADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC1CC1 ZINC000161703218 538917277 /nfs/dbraw/zinc/91/72/77/538917277.db2.gz PFODZOTXPQGLFC-KGLIPLIRSA-N 1 3 222.376 2.393 20 0 BEADHO C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CC1 ZINC000161703218 538917278 /nfs/dbraw/zinc/91/72/78/538917278.db2.gz PFODZOTXPQGLFC-KGLIPLIRSA-N 1 3 222.376 2.393 20 0 BEADHO C(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC1CC1 ZINC000161703218 538917280 /nfs/dbraw/zinc/91/72/80/538917280.db2.gz PFODZOTXPQGLFC-KGLIPLIRSA-N 1 3 222.376 2.393 20 0 BEADHO CCOCCC1(C[NH2+][C@H](C)C[C@H](C)N)CCC1 ZINC000422942829 398159339 /nfs/dbraw/zinc/15/93/39/398159339.db2.gz QGJMBVDQQYPFRB-QWHCGFSZSA-N 1 3 242.407 2.299 20 0 BEADHO Cc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1F ZINC000291704644 178021971 /nfs/dbraw/zinc/02/19/71/178021971.db2.gz KNAHRHKZZDOKPJ-LLVKDONJSA-N 1 3 238.350 2.421 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422976842 398161185 /nfs/dbraw/zinc/16/11/85/398161185.db2.gz VQBKKHYNAZVXCW-MGPQQGTHSA-N 1 3 222.376 2.320 20 0 BEADHO C[C@@H](CCCc1cccnc1)N[C@@H]1CCC[NH2+]C1 ZINC000415119064 398163184 /nfs/dbraw/zinc/16/31/84/398163184.db2.gz YOQMJUFBZLVJKX-DZGCQCFKSA-N 1 3 247.386 2.134 20 0 BEADHO C[C@@H](CCCc1cccnc1)N[C@H]1CCC[NH2+]C1 ZINC000415119067 398163424 /nfs/dbraw/zinc/16/34/24/398163424.db2.gz YOQMJUFBZLVJKX-ZFWWWQNUSA-N 1 3 247.386 2.134 20 0 BEADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CN(C)C ZINC000291686094 178087345 /nfs/dbraw/zinc/08/73/45/178087345.db2.gz IIROVARTLONXAE-NSHDSACASA-N 1 3 238.350 2.421 20 0 BEADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000291686092 178087484 /nfs/dbraw/zinc/08/74/84/178087484.db2.gz IIROVARTLONXAE-LLVKDONJSA-N 1 3 238.350 2.421 20 0 BEADHO Cc1cc(N2CCC[NH2+]CC2)c2ccccc2n1 ZINC000035697515 178115379 /nfs/dbraw/zinc/11/53/79/178115379.db2.gz JQCNKRUGSCMMQA-UHFFFAOYSA-N 1 3 241.338 2.343 20 0 BEADHO CCC[C@@H](CNC[C@H](C)C[NH+]1CCCC1)OC ZINC000386162605 398198992 /nfs/dbraw/zinc/19/89/92/398198992.db2.gz VDNCLZARAJGCFH-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)OC ZINC000386162605 398198997 /nfs/dbraw/zinc/19/89/97/398198997.db2.gz VDNCLZARAJGCFH-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3c2CCNC3)[C@H]1C ZINC000386302696 398204938 /nfs/dbraw/zinc/20/49/38/398204938.db2.gz VRPBRQCVSJMVGW-BFQNTYOBSA-N 1 3 244.382 2.466 20 0 BEADHO C[C@@H](c1ccncc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386507586 398211044 /nfs/dbraw/zinc/21/10/44/398211044.db2.gz LYQHTXFWGLELIF-AEGPPILISA-N 1 3 245.370 2.074 20 0 BEADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](C)N ZINC000649414278 398212942 /nfs/dbraw/zinc/21/29/42/398212942.db2.gz PUXZLDXFCYEOHQ-JSGCOSHPSA-N 1 3 247.386 2.064 20 0 BEADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](C)N ZINC000649414278 398212943 /nfs/dbraw/zinc/21/29/43/398212943.db2.gz PUXZLDXFCYEOHQ-JSGCOSHPSA-N 1 3 247.386 2.064 20 0 BEADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H](C)N ZINC000649414279 398212947 /nfs/dbraw/zinc/21/29/47/398212947.db2.gz PUXZLDXFCYEOHQ-OCCSQVGLSA-N 1 3 247.386 2.064 20 0 BEADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H](C)N ZINC000649414279 398212948 /nfs/dbraw/zinc/21/29/48/398212948.db2.gz PUXZLDXFCYEOHQ-OCCSQVGLSA-N 1 3 247.386 2.064 20 0 BEADHO C[C@@H](CCC[NH3+])NCc1noc2ccccc12 ZINC000576411494 365590742 /nfs/dbraw/zinc/59/07/42/365590742.db2.gz FWVCUPDTEXPZRD-JTQLQIEISA-N 1 3 233.315 2.045 20 0 BEADHO CCC[C@H](C)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000187707540 259304166 /nfs/dbraw/zinc/30/41/66/259304166.db2.gz SUOIYUUXAWCDRU-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCC[C@H](C)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000187707540 259304168 /nfs/dbraw/zinc/30/41/68/259304168.db2.gz SUOIYUUXAWCDRU-QWHCGFSZSA-N 1 3 212.381 2.449 20 0 BEADHO CCc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000252788804 136227189 /nfs/dbraw/zinc/22/71/89/136227189.db2.gz XINJRGVYNJBMMG-WFASDCNBSA-N 1 3 232.371 2.418 20 0 BEADHO Cc1cc(C)c(C[N@@H+]2C[C@H](N)[C@@H](C)C2)cc1C ZINC000235683701 398250552 /nfs/dbraw/zinc/25/05/52/398250552.db2.gz AAVRBUQDCBTXEC-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cc(C)c(C[N@H+]2C[C@H](N)[C@@H](C)C2)cc1C ZINC000235683701 398250555 /nfs/dbraw/zinc/25/05/55/398250555.db2.gz AAVRBUQDCBTXEC-ZFWWWQNUSA-N 1 3 232.371 2.391 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2COc3ccccc32)C1 ZINC000576718177 365669237 /nfs/dbraw/zinc/66/92/37/365669237.db2.gz UXVVGVKTTRTFHU-YNEHKIRRSA-N 1 3 246.354 2.022 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000576718177 365669240 /nfs/dbraw/zinc/66/92/40/365669240.db2.gz UXVVGVKTTRTFHU-YNEHKIRRSA-N 1 3 246.354 2.022 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624124195 346854732 /nfs/dbraw/zinc/85/47/32/346854732.db2.gz ZSSHLMDDESGQDW-MCIONIFRSA-N 1 3 224.392 2.497 20 0 BEADHO CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000600188754 342698653 /nfs/dbraw/zinc/69/86/53/342698653.db2.gz DQKKRBGBHSPMPB-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000600188754 342698655 /nfs/dbraw/zinc/69/86/55/342698655.db2.gz DQKKRBGBHSPMPB-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600188754 342698657 /nfs/dbraw/zinc/69/86/57/342698657.db2.gz DQKKRBGBHSPMPB-JHJVBQTASA-N 1 3 242.432 2.202 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000382309831 361895106 /nfs/dbraw/zinc/89/51/06/361895106.db2.gz ICPILYPPTRBBKM-SDDRHHMPSA-N 1 3 246.345 2.481 20 0 BEADHO C/C=C/CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000624199679 342843349 /nfs/dbraw/zinc/84/33/49/342843349.db2.gz VLZLVMVKNOOHOW-PZQWPYDESA-N 1 3 208.349 2.025 20 0 BEADHO C/C=C/CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000624199679 342843350 /nfs/dbraw/zinc/84/33/50/342843350.db2.gz VLZLVMVKNOOHOW-PZQWPYDESA-N 1 3 208.349 2.025 20 0 BEADHO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H]1CCCN1 ZINC000232769114 342880074 /nfs/dbraw/zinc/88/00/74/342880074.db2.gz PTYCVMPRCWFVKD-RYUDHWBXSA-N 1 3 210.365 2.297 20 0 BEADHO CCO[C@@H]1C[C@H](NCCC[NH2+]C(C)C)C1(C)C ZINC000233765169 342912294 /nfs/dbraw/zinc/91/22/94/342912294.db2.gz YYXWWJYPWUQFBQ-QWHCGFSZSA-N 1 3 242.407 2.168 20 0 BEADHO C[C@H]([NH3+])[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000351856986 136258477 /nfs/dbraw/zinc/25/84/77/136258477.db2.gz AHWCYIIWZQIXEX-WBIUFABUSA-N 1 3 248.345 2.482 20 0 BEADHO CC(C)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918963 343002833 /nfs/dbraw/zinc/00/28/33/343002833.db2.gz WETHOZHNAZOARE-OCCSQVGLSA-N 1 3 222.376 2.344 20 0 BEADHO CC(C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918963 343002834 /nfs/dbraw/zinc/00/28/34/343002834.db2.gz WETHOZHNAZOARE-OCCSQVGLSA-N 1 3 222.376 2.344 20 0 BEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000678083523 488194262 /nfs/dbraw/zinc/19/42/62/488194262.db2.gz KHYQTPMZQLJZIG-GHMZBOCLSA-N 1 3 232.318 2.058 20 0 BEADHO Cc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044535122 343008920 /nfs/dbraw/zinc/00/89/20/343008920.db2.gz PGJMMWNAQDBFPD-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000044535122 343008921 /nfs/dbraw/zinc/00/89/21/343008921.db2.gz PGJMMWNAQDBFPD-OAHLLOKOSA-N 1 3 232.371 2.426 20 0 BEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000678083523 488194265 /nfs/dbraw/zinc/19/42/65/488194265.db2.gz KHYQTPMZQLJZIG-GHMZBOCLSA-N 1 3 232.318 2.058 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1nccs1 ZINC000235462456 343038967 /nfs/dbraw/zinc/03/89/67/343038967.db2.gz IQMFYHCVYKACOW-GMTAPVOTSA-N 1 3 239.388 2.106 20 0 BEADHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000308846778 346924088 /nfs/dbraw/zinc/92/40/88/346924088.db2.gz LPLUATDLUAEKDU-RWMBFGLXSA-N 1 3 212.381 2.399 20 0 BEADHO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000576862100 365706004 /nfs/dbraw/zinc/70/60/04/365706004.db2.gz IYVOWCWWWUSWBB-SDDRHHMPSA-N 1 3 212.381 2.399 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000120109272 343108714 /nfs/dbraw/zinc/10/87/14/343108714.db2.gz FEGZLYWWVUJZLL-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000120109272 343108715 /nfs/dbraw/zinc/10/87/15/343108715.db2.gz FEGZLYWWVUJZLL-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000251613279 343125308 /nfs/dbraw/zinc/12/53/08/343125308.db2.gz DQMJOFRFMSIZNX-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO CC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251613279 343125309 /nfs/dbraw/zinc/12/53/09/343125309.db2.gz DQMJOFRFMSIZNX-OLZOCXBDSA-N 1 3 210.365 2.108 20 0 BEADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)c1 ZINC000093215802 343151314 /nfs/dbraw/zinc/15/13/14/343151314.db2.gz NDSSOEYVZJXMRE-LSDHHAIUSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000093215802 343151315 /nfs/dbraw/zinc/15/13/15/343151315.db2.gz NDSSOEYVZJXMRE-LSDHHAIUSA-N 1 3 232.371 2.397 20 0 BEADHO Cc1cccc(OCCN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093215590 343151321 /nfs/dbraw/zinc/15/13/21/343151321.db2.gz FPEWPCMBEIEHRL-KGLIPLIRSA-N 1 3 248.370 2.233 20 0 BEADHO CCc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000126775496 343171497 /nfs/dbraw/zinc/17/14/97/343171497.db2.gz ZVZJRIJMNSQSRI-WDEREUQCSA-N 1 3 238.400 2.480 20 0 BEADHO C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CCCNC1 ZINC000132022782 343187548 /nfs/dbraw/zinc/18/75/48/343187548.db2.gz RPPVQIPEDIFZJA-CHWSQXEVSA-N 1 3 236.359 2.190 20 0 BEADHO C[C@H](CCc1ccco1)NC[C@@H]1CCC[NH2+]C1 ZINC000132022782 343187550 /nfs/dbraw/zinc/18/75/50/343187550.db2.gz RPPVQIPEDIFZJA-CHWSQXEVSA-N 1 3 236.359 2.190 20 0 BEADHO CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000069724636 343290022 /nfs/dbraw/zinc/29/00/22/343290022.db2.gz VUYFQPMJLFLXLU-DGCLKSJQSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000069724636 343290024 /nfs/dbraw/zinc/29/00/24/343290024.db2.gz VUYFQPMJLFLXLU-DGCLKSJQSA-N 1 3 212.381 2.482 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069381543 343277717 /nfs/dbraw/zinc/27/77/17/343277717.db2.gz IJAWRVGOGPHHBA-RKDXNWHRSA-N 1 3 224.270 2.046 20 0 BEADHO [NH3+]C1(CNCCCc2cccc(F)c2)CCC1 ZINC000348747156 136296481 /nfs/dbraw/zinc/29/64/81/136296481.db2.gz HWPNNVPAQKMLOX-UHFFFAOYSA-N 1 3 236.334 2.229 20 0 BEADHO Cc1ccc(CNC2CC[NH+](C)CC2)c(C)c1 ZINC000037248662 343340972 /nfs/dbraw/zinc/34/09/72/343340972.db2.gz OLMSEVBLRKMFGS-UHFFFAOYSA-N 1 3 232.371 2.487 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCSC2)C[C@@H]1CN ZINC000397252916 323043140 /nfs/dbraw/zinc/04/31/40/323043140.db2.gz DHOZJYSHRXSKHC-VOAKCMCISA-N 1 3 242.432 2.045 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCSC2)C[C@@H]1CN ZINC000397252916 323043141 /nfs/dbraw/zinc/04/31/41/323043141.db2.gz DHOZJYSHRXSKHC-VOAKCMCISA-N 1 3 242.432 2.045 20 0 BEADHO c1ccc2c(c1)CC[C@H]2C[NH2+]C1CCNCC1 ZINC000335650432 136304571 /nfs/dbraw/zinc/30/45/71/136304571.db2.gz OJLUEJOCRCJSCD-ZDUSSCGKSA-N 1 3 230.355 2.058 20 0 BEADHO c1ccc2c(c1)CC[C@H]2CNC1CC[NH2+]CC1 ZINC000335650432 136304572 /nfs/dbraw/zinc/30/45/72/136304572.db2.gz OJLUEJOCRCJSCD-ZDUSSCGKSA-N 1 3 230.355 2.058 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CCC1CCC1 ZINC000398626327 488220793 /nfs/dbraw/zinc/22/07/93/488220793.db2.gz HXPHVHJFWXJSAG-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CCC1CCC1 ZINC000398626327 488220797 /nfs/dbraw/zinc/22/07/97/488220797.db2.gz HXPHVHJFWXJSAG-CYBMUJFWSA-N 1 3 210.365 2.380 20 0 BEADHO CCN1CCC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000379974363 365770418 /nfs/dbraw/zinc/77/04/18/365770418.db2.gz CTADPKYEGWMQNE-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049551802 343601682 /nfs/dbraw/zinc/60/16/82/343601682.db2.gz XBJOQDNULBSRLW-JTQLQIEISA-N 1 3 242.313 2.395 20 0 BEADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336665061 537817801 /nfs/dbraw/zinc/81/78/01/537817801.db2.gz LKBNVBQAPVKWGX-UONOGXRCSA-N 1 3 222.376 2.273 20 0 BEADHO N[C@@]12CCC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000621777907 343903595 /nfs/dbraw/zinc/90/35/95/343903595.db2.gz IOPNTWHDPAVJLJ-HZPDHXFCSA-N 1 3 244.382 2.432 20 0 BEADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000621777907 343903597 /nfs/dbraw/zinc/90/35/97/343903597.db2.gz IOPNTWHDPAVJLJ-HZPDHXFCSA-N 1 3 244.382 2.432 20 0 BEADHO CC(C)(C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634732486 344107406 /nfs/dbraw/zinc/10/74/06/344107406.db2.gz HOSSPSFMUCNMAP-NSHDSACASA-N 1 3 212.381 2.400 20 0 BEADHO CC1(C)CNCC[C@H]([NH2+]C2CCCC2)C1 ZINC000634733167 344108085 /nfs/dbraw/zinc/10/80/85/344108085.db2.gz YSCXOPCDSQLTJC-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)CCC[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733841 344114535 /nfs/dbraw/zinc/11/45/35/344114535.db2.gz PLGBRFJISBPTCK-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCCC1 ZINC000086404366 344216647 /nfs/dbraw/zinc/21/66/47/344216647.db2.gz SMPRYMGHYAGJJI-WXHSDQCUSA-N 1 3 210.365 2.425 20 0 BEADHO CC[C@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088249785 344238207 /nfs/dbraw/zinc/23/82/07/344238207.db2.gz BCXCOULHNIDEGW-RBSFLKMASA-N 1 3 230.355 2.289 20 0 BEADHO CC(C)[C@@H](N)CC[N@H+](C)CC1CCCC1 ZINC000133307690 344317695 /nfs/dbraw/zinc/31/76/95/344317695.db2.gz KJKONOVXQWRLKX-ZDUSSCGKSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H](N)CC[N@@H+](C)CC1CCCC1 ZINC000133307690 344317699 /nfs/dbraw/zinc/31/76/99/344317699.db2.gz KJKONOVXQWRLKX-ZDUSSCGKSA-N 1 3 212.381 2.482 20 0 BEADHO CC(C)[C@@H]([NH3+])CCN(C)CC1CCCC1 ZINC000133307690 344317702 /nfs/dbraw/zinc/31/77/02/344317702.db2.gz KJKONOVXQWRLKX-ZDUSSCGKSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(F)cc1F ZINC000584285624 344419736 /nfs/dbraw/zinc/41/97/36/344419736.db2.gz VMPIVKFNKSBTDD-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(F)cc1F ZINC000584285624 344419738 /nfs/dbraw/zinc/41/97/38/344419738.db2.gz VMPIVKFNKSBTDD-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO CSC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 ZINC000235094745 344782900 /nfs/dbraw/zinc/78/29/00/344782900.db2.gz NIZILLLCRWFDHJ-WDEREUQCSA-N 1 3 228.405 2.132 20 0 BEADHO Cc1ccc([C@H](C)CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000628191883 344946638 /nfs/dbraw/zinc/94/66/38/344946638.db2.gz YGSYAXSUPOHCLI-FVQBIDKESA-N 1 3 244.382 2.250 20 0 BEADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCC1 ZINC000250677954 192369850 /nfs/dbraw/zinc/36/98/50/192369850.db2.gz XBZMINNYVZZJGS-STQMWFEESA-N 1 3 208.349 2.003 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@H]2N1CC12CC(C1)C[NH2+]2 ZINC000634993398 345190381 /nfs/dbraw/zinc/19/03/81/345190381.db2.gz SZDBDWLWLYZWFG-HNBOJAAESA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC12CC(C1)CN2 ZINC000634993398 345190382 /nfs/dbraw/zinc/19/03/82/345190382.db2.gz SZDBDWLWLYZWFG-HNBOJAAESA-N 1 3 234.387 2.391 20 0 BEADHO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC12CC(C1)CN2 ZINC000634993398 345190384 /nfs/dbraw/zinc/19/03/84/345190384.db2.gz SZDBDWLWLYZWFG-HNBOJAAESA-N 1 3 234.387 2.391 20 0 BEADHO c1ccc2c(c1)CC[C@@H]2C[NH2+]CC12CC(C1)CN2 ZINC000634996046 345186002 /nfs/dbraw/zinc/18/60/02/345186002.db2.gz XUKKDKBUKHWRNZ-CXOJTPOUSA-N 1 3 242.366 2.058 20 0 BEADHO C1=CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000156129879 345130146 /nfs/dbraw/zinc/13/01/46/345130146.db2.gz BDPAISBURWTYQS-BFHYXJOUSA-N 1 3 220.360 2.312 20 0 BEADHO C([NH2+][C@H]1C[C@@H]1C1CCCCC1)C12CC(C1)CN2 ZINC000634996329 345187492 /nfs/dbraw/zinc/18/74/92/345187492.db2.gz HBOADTBGAQEHGI-YTELLUSKSA-N 1 3 234.387 2.297 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000634997012 345194071 /nfs/dbraw/zinc/19/40/71/345194071.db2.gz BCVLGXNBMHOFKJ-GRYCIOLGSA-N 1 3 208.349 2.179 20 0 BEADHO COc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000634998151 345197060 /nfs/dbraw/zinc/19/70/60/345197060.db2.gz BMDVDFQNAVSIOM-GXTWGEPZSA-N 1 3 248.370 2.030 20 0 BEADHO C[C@H](C[N@@H+]1C[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000634998518 345198346 /nfs/dbraw/zinc/19/83/46/345198346.db2.gz GRUJHXNJCMVDAF-VNHYZAJKSA-N 1 3 232.371 2.317 20 0 BEADHO C[C@H](C[N@H+]1C[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000634998518 345198348 /nfs/dbraw/zinc/19/83/48/345198348.db2.gz GRUJHXNJCMVDAF-VNHYZAJKSA-N 1 3 232.371 2.317 20 0 BEADHO C[C@H](N[C@H]1CCCC12CC2)[C@@H]1CCCC[NH2+]1 ZINC000635003284 345205414 /nfs/dbraw/zinc/20/54/14/345205414.db2.gz HTYBMDQOTWSZSA-AVGNSLFASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]([NH2+]Cc1cccc2c1CCNC2)[C@H]1C[C@H]1C ZINC000635002896 345205774 /nfs/dbraw/zinc/20/57/74/345205774.db2.gz AYSPRIQVLVUVIC-HSMVNMDESA-N 1 3 244.382 2.466 20 0 BEADHO C[C@H](N[C@H]1CCCC12CC2)[C@H]1CCCC[NH2+]1 ZINC000635003289 345205789 /nfs/dbraw/zinc/20/57/89/345205789.db2.gz HTYBMDQOTWSZSA-XQQFMLRXSA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H](N[C@H]1CCCC12CC2)[C@H]1CCCC[NH2+]1 ZINC000635003288 345205835 /nfs/dbraw/zinc/20/58/35/345205835.db2.gz HTYBMDQOTWSZSA-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NCC[C@H]1CNc2ccccc21 ZINC000635005715 345209631 /nfs/dbraw/zinc/20/96/31/345209631.db2.gz JPGBYHGUASHMIX-NJZAAPMLSA-N 1 3 245.370 2.055 20 0 BEADHO CC[C@H](C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635005507 345209930 /nfs/dbraw/zinc/20/99/30/345209930.db2.gz OEDRTCHQAZVCFF-GXTWGEPZSA-N 1 3 220.360 2.335 20 0 BEADHO Cc1ccc(CNC2CCC(C[NH3+])CC2)o1 ZINC000635006608 345211495 /nfs/dbraw/zinc/21/14/95/345211495.db2.gz CAEVWGDSLFSRDY-UHFFFAOYSA-N 1 3 222.332 2.195 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2[nH]ccc21 ZINC000635011325 345213450 /nfs/dbraw/zinc/21/34/50/345213450.db2.gz DTQGNLQGLGWGRB-MNOVXSKESA-N 1 3 231.343 2.383 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2[nH]ccc21 ZINC000635011327 345213909 /nfs/dbraw/zinc/21/39/09/345213909.db2.gz DTQGNLQGLGWGRB-WDEREUQCSA-N 1 3 231.343 2.383 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635012445 345214390 /nfs/dbraw/zinc/21/43/90/345214390.db2.gz MLOJOKWEWMBNNH-QCLAVDOMSA-N 1 3 236.281 2.044 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc2[nH]ccc21 ZINC000635012537 345214498 /nfs/dbraw/zinc/21/44/98/345214498.db2.gz MVZNFCGCRSXKPD-FZMZJTMJSA-N 1 3 243.354 2.385 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000635012537 345214500 /nfs/dbraw/zinc/21/45/00/345214500.db2.gz MVZNFCGCRSXKPD-FZMZJTMJSA-N 1 3 243.354 2.385 20 0 BEADHO COC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C(C)C ZINC000635009256 345216866 /nfs/dbraw/zinc/21/68/66/345216866.db2.gz GOGVGIBIIOSHNN-OLZOCXBDSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C(C)C ZINC000635009256 345216869 /nfs/dbraw/zinc/21/68/69/345216869.db2.gz GOGVGIBIIOSHNN-OLZOCXBDSA-N 1 3 242.407 2.025 20 0 BEADHO CCN1CC[C@H](C[NH2+]CCCC(C)C)C1 ZINC000162089318 345260441 /nfs/dbraw/zinc/26/04/41/345260441.db2.gz IWNCHVWOEANBIM-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000319086444 259384098 /nfs/dbraw/zinc/38/40/98/259384098.db2.gz CFDFSSKWACRCEZ-ZDEQEGDKSA-N 1 3 212.381 2.399 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000231188341 345752099 /nfs/dbraw/zinc/75/20/99/345752099.db2.gz HYIOFUWRKSUPLL-WCQYABFASA-N 1 3 236.359 2.473 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](N)CC)cc1 ZINC000231188368 345752210 /nfs/dbraw/zinc/75/22/10/345752210.db2.gz HYIOFUWRKSUPLL-DGCLKSJQSA-N 1 3 236.359 2.473 20 0 BEADHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000562960246 345839971 /nfs/dbraw/zinc/83/99/71/345839971.db2.gz LYJGHGILMKNJHJ-SWLSCSKDSA-N 1 3 248.370 2.221 20 0 BEADHO C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)CN(C)C ZINC000381455936 345937170 /nfs/dbraw/zinc/93/71/70/345937170.db2.gz IJRPRCURNRACCP-NWDGAFQWSA-N 1 3 240.416 2.466 20 0 BEADHO C[C@H](Cc1ccsc1)NC[C@H](C)C[NH+](C)C ZINC000381455936 345937173 /nfs/dbraw/zinc/93/71/73/345937173.db2.gz IJRPRCURNRACCP-NWDGAFQWSA-N 1 3 240.416 2.466 20 0 BEADHO CCc1cc(NC[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000307767796 345949834 /nfs/dbraw/zinc/94/98/34/345949834.db2.gz IYLDFPNBLHJXDN-GFCCVEGCSA-N 1 3 233.359 2.398 20 0 BEADHO CCc1cc(NC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000307767796 345949838 /nfs/dbraw/zinc/94/98/38/345949838.db2.gz IYLDFPNBLHJXDN-GFCCVEGCSA-N 1 3 233.359 2.398 20 0 BEADHO Cc1cccc(C)c1C[N@@H+]1CC[C@](C)(CN)C1 ZINC000235814421 179035269 /nfs/dbraw/zinc/03/52/69/179035269.db2.gz NSGRAIDWUOTKNS-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1C[N@H+]1CC[C@](C)(CN)C1 ZINC000235814421 179035270 /nfs/dbraw/zinc/03/52/70/179035270.db2.gz NSGRAIDWUOTKNS-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1cccc(C)c1CN1CCC([NH3+])CC1 ZINC000135077244 179035356 /nfs/dbraw/zinc/03/53/56/179035356.db2.gz VAGHSWOLWWGCLX-UHFFFAOYSA-N 1 3 218.344 2.227 20 0 BEADHO CC(C)[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 ZINC000563348532 323119932 /nfs/dbraw/zinc/11/99/32/323119932.db2.gz BTFIMBDCIPTINL-WXHSDQCUSA-N 1 3 210.365 2.151 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1C ZINC000094338766 179078856 /nfs/dbraw/zinc/07/88/56/179078856.db2.gz NAHHXYBJRFSNQO-IUODEOHRSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000049712994 179080566 /nfs/dbraw/zinc/08/05/66/179080566.db2.gz BHYVJULQJQUVOV-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000229060508 179081660 /nfs/dbraw/zinc/08/16/60/179081660.db2.gz PZQZIZURPBSUOU-ZFWWWQNUSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1cccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000228078148 179081816 /nfs/dbraw/zinc/08/18/16/179081816.db2.gz UKQFXGDBFGXMLS-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@@H](CN)C[C@H]2C)c1 ZINC000228078148 179081819 /nfs/dbraw/zinc/08/18/19/179081819.db2.gz UKQFXGDBFGXMLS-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@@H](CN)C[C@H]2C)c1 ZINC000228078148 179081821 /nfs/dbraw/zinc/08/18/21/179081821.db2.gz UKQFXGDBFGXMLS-TZMCWYRMSA-N 1 3 218.344 2.164 20 0 BEADHO Cc1cccc(C[N@H+]2C[C@H](CN)C[C@H]2C)c1C ZINC000228066882 179083521 /nfs/dbraw/zinc/08/35/21/179083521.db2.gz USOJHFQEAMHYFS-OCCSQVGLSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1cccc(C[N@@H+]2C[C@H](CN)C[C@H]2C)c1C ZINC000228066882 179083524 /nfs/dbraw/zinc/08/35/24/179083524.db2.gz USOJHFQEAMHYFS-OCCSQVGLSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](N)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000641800916 362753925 /nfs/dbraw/zinc/75/39/25/362753925.db2.gz IOKRKMHDXRLBRN-LLVKDONJSA-N 1 3 218.344 2.127 20 0 BEADHO C[C@@H](N)C[N@H+]1CCc2ccccc2C1(C)C ZINC000641800916 362753931 /nfs/dbraw/zinc/75/39/31/362753931.db2.gz IOKRKMHDXRLBRN-LLVKDONJSA-N 1 3 218.344 2.127 20 0 BEADHO Cc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802611 362754868 /nfs/dbraw/zinc/75/48/68/362754868.db2.gz NRLCTDJBUFCHLZ-ZIAGYGMSSA-N 1 3 232.371 2.253 20 0 BEADHO C[C@H](C[NH2+][C@@H](C)C1CCC1)CN1CCCC1 ZINC000178243721 346662968 /nfs/dbraw/zinc/66/29/68/346662968.db2.gz PCIZFYCSEUEDIC-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO COC[C@H](C)CNCCC[NH+](C(C)C)C(C)C ZINC000188094934 346752586 /nfs/dbraw/zinc/75/25/86/346752586.db2.gz MXSHSEIONCXLIU-CQSZACIVSA-N 1 3 244.423 2.367 20 0 BEADHO Cc1cccc(OCCN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000163194483 179168471 /nfs/dbraw/zinc/16/84/71/179168471.db2.gz IWDJZXHEHHTUFB-KGLIPLIRSA-N 1 3 248.370 2.043 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3c(c2)COC3)C1 ZINC000577204759 365875554 /nfs/dbraw/zinc/87/55/54/365875554.db2.gz IFJPBQVIMMEKTK-LSDHHAIUSA-N 1 3 246.354 2.076 20 0 BEADHO Cc1cccc([C@@H](C)N2CC[C@H](C[NH3+])C2)c1 ZINC000050245512 179180311 /nfs/dbraw/zinc/18/03/11/179180311.db2.gz UQMWVBRNPKQUTF-CHWSQXEVSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CN)C2)c1 ZINC000050245512 179180313 /nfs/dbraw/zinc/18/03/13/179180313.db2.gz UQMWVBRNPKQUTF-CHWSQXEVSA-N 1 3 218.344 2.337 20 0 BEADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CN)C2)c1 ZINC000050245512 179180315 /nfs/dbraw/zinc/18/03/15/179180315.db2.gz UQMWVBRNPKQUTF-CHWSQXEVSA-N 1 3 218.344 2.337 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000382602028 347372290 /nfs/dbraw/zinc/37/22/90/347372290.db2.gz SLNHVBZATCPRIT-YPMHNXCESA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000319487592 259396293 /nfs/dbraw/zinc/39/62/93/259396293.db2.gz GWCWRXMCIJWVGW-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000319487603 259396315 /nfs/dbraw/zinc/39/63/15/259396315.db2.gz GWCWRXMCIJWVGW-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)[C@H]([NH3+])CCN(C)CC(C)(C)C ZINC000227732297 535063909 /nfs/dbraw/zinc/06/39/09/535063909.db2.gz PAHRFDNOWJBWKF-LLVKDONJSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)[C@H](N)CC[N@H+](C)CC(C)(C)C ZINC000227732297 535063913 /nfs/dbraw/zinc/06/39/13/535063913.db2.gz PAHRFDNOWJBWKF-LLVKDONJSA-N 1 3 200.370 2.338 20 0 BEADHO CC(C)[C@H](N)CC[N@@H+](C)CC(C)(C)C ZINC000227732297 535063919 /nfs/dbraw/zinc/06/39/19/535063919.db2.gz PAHRFDNOWJBWKF-LLVKDONJSA-N 1 3 200.370 2.338 20 0 BEADHO CC[C@H]([NH2+]C1CCNCC1)c1ccc(OC)cc1 ZINC000038041173 348038291 /nfs/dbraw/zinc/03/82/91/348038291.db2.gz ODEMIXJLEYIEPY-HNNXBMFYSA-N 1 3 248.370 2.488 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@H](C)CSCCF)C1 ZINC000595010212 348160053 /nfs/dbraw/zinc/16/00/53/348160053.db2.gz IZPGPNKGEUGIND-VXGBXAGGSA-N 1 3 248.411 2.009 20 0 BEADHO CCSC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000596649014 348605202 /nfs/dbraw/zinc/60/52/02/348605202.db2.gz ACGDEQWQABVQRJ-NWDGAFQWSA-N 1 3 242.432 2.379 20 0 BEADHO CCSC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000596649011 348605326 /nfs/dbraw/zinc/60/53/26/348605326.db2.gz ACGDEQWQABVQRJ-NEPJUHHUSA-N 1 3 242.432 2.379 20 0 BEADHO CCC(CC)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130223291 535082780 /nfs/dbraw/zinc/08/27/80/535082780.db2.gz AMBGMZFHRRFJPT-QWHCGFSZSA-N 1 3 210.365 2.391 20 0 BEADHO CC[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248372850 349125341 /nfs/dbraw/zinc/12/53/41/349125341.db2.gz DDKNNRVTFYQVCL-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000248372850 349125344 /nfs/dbraw/zinc/12/53/44/349125344.db2.gz DDKNNRVTFYQVCL-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO CC[C@@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248372850 349125346 /nfs/dbraw/zinc/12/53/46/349125346.db2.gz DDKNNRVTFYQVCL-OLZOCXBDSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000601526227 349298007 /nfs/dbraw/zinc/29/80/07/349298007.db2.gz IVNMMXAXBOLJRI-CYBMUJFWSA-N 1 3 247.386 2.416 20 0 BEADHO CC[C@H]([NH2+]CCCN(CC)CC)[C@H]1CCOC1 ZINC000131453848 191014703 /nfs/dbraw/zinc/01/47/03/191014703.db2.gz NNVUWGQZUIUAIU-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H](CC1CC1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000132430432 191033094 /nfs/dbraw/zinc/03/30/94/191033094.db2.gz GKOBYFLVQYMMFP-QWHCGFSZSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)C1CNC1 ZINC000422741251 192449429 /nfs/dbraw/zinc/44/94/29/192449429.db2.gz DBHYFYBYHBNFAW-JHJVBQTASA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324790577 323282881 /nfs/dbraw/zinc/28/28/81/323282881.db2.gz JURBLZZWGVVSIU-DDTOSNHZSA-N 1 3 222.376 2.153 20 0 BEADHO CC/C=C\CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538162 362957154 /nfs/dbraw/zinc/95/71/54/362957154.db2.gz YZOKCZUGVQIUDG-DGMVEKRQSA-N 1 3 210.365 2.415 20 0 BEADHO CC/C=C\CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623538162 362957157 /nfs/dbraw/zinc/95/71/57/362957157.db2.gz YZOKCZUGVQIUDG-DGMVEKRQSA-N 1 3 210.365 2.415 20 0 BEADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000397864875 350463731 /nfs/dbraw/zinc/46/37/31/350463731.db2.gz ZPEYQIODACHKEI-QQUHWDOBSA-N 1 3 248.395 2.472 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC000163172099 350508933 /nfs/dbraw/zinc/50/89/33/350508933.db2.gz GZEWUYAOGDGPGK-UONOGXRCSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000577482027 365964112 /nfs/dbraw/zinc/96/41/12/365964112.db2.gz QYLFJAZPGMANPI-BDAKNGLRSA-N 1 3 228.286 2.450 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689618 365991984 /nfs/dbraw/zinc/99/19/84/365991984.db2.gz ZQPUSVQSLFJNHX-AAVRWANBSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCC[C@H]1C ZINC000346689618 365991986 /nfs/dbraw/zinc/99/19/86/365991986.db2.gz ZQPUSVQSLFJNHX-AAVRWANBSA-N 1 3 224.392 2.482 20 0 BEADHO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000336683716 350919720 /nfs/dbraw/zinc/91/97/20/350919720.db2.gz ZIJBGEABSBEWRO-AGIUHOORSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336683716 350919724 /nfs/dbraw/zinc/91/97/24/350919724.db2.gz ZIJBGEABSBEWRO-AGIUHOORSA-N 1 3 222.376 2.391 20 0 BEADHO CC1(C)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336683716 350919726 /nfs/dbraw/zinc/91/97/26/350919726.db2.gz ZIJBGEABSBEWRO-AGIUHOORSA-N 1 3 222.376 2.391 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC1CC1 ZINC000577740197 366049440 /nfs/dbraw/zinc/04/94/40/366049440.db2.gz NKPUCYADLDSTIU-YPMHNXCESA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000414792912 351773059 /nfs/dbraw/zinc/77/30/59/351773059.db2.gz JIWLQKJZWVLZOB-GXTWGEPZSA-N 1 3 236.334 2.351 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+]CCCN(C)C(C)C)OC ZINC000638337032 352155460 /nfs/dbraw/zinc/15/54/60/352155460.db2.gz BOUGLVCJNMSXDN-KBPBESRZSA-N 1 3 244.423 2.367 20 0 BEADHO CC(C)N(C)CCC[NH2+]CC1CCSCC1 ZINC000638338547 352159034 /nfs/dbraw/zinc/15/90/34/352159034.db2.gz YMMFTENADYCAJU-UHFFFAOYSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CC1(F)F ZINC000638377103 352188890 /nfs/dbraw/zinc/18/88/90/352188890.db2.gz NHZOOZHKGNMECT-IRCOFANPSA-N 1 3 244.329 2.247 20 0 BEADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC1(F)F ZINC000638377103 352188893 /nfs/dbraw/zinc/18/88/93/352188893.db2.gz NHZOOZHKGNMECT-IRCOFANPSA-N 1 3 244.329 2.247 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000638409120 352218474 /nfs/dbraw/zinc/21/84/74/352218474.db2.gz JIAWTVFEPBANFB-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO CCN1CCC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000638452315 352263057 /nfs/dbraw/zinc/26/30/57/352263057.db2.gz XCLAYRJMVFJIIB-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C)CCN1 ZINC000252931282 538103660 /nfs/dbraw/zinc/10/36/60/538103660.db2.gz BFFRSWMZRDXURF-QNWHQSFQSA-N 1 3 210.365 2.247 20 0 BEADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C)CCN1 ZINC000252931282 538103662 /nfs/dbraw/zinc/10/36/62/538103662.db2.gz BFFRSWMZRDXURF-QNWHQSFQSA-N 1 3 210.365 2.247 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638862732 353031919 /nfs/dbraw/zinc/03/19/19/353031919.db2.gz HSCWFGOFJVEEPL-MNOVXSKESA-N 1 3 234.334 2.352 20 0 BEADHO Cc1ccc2nccc(NCCCC[NH3+])c2c1 ZINC000420226631 192179179 /nfs/dbraw/zinc/17/91/79/192179179.db2.gz ARMXJKKHMWPTMU-UHFFFAOYSA-N 1 3 229.327 2.116 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000300987395 188171969 /nfs/dbraw/zinc/17/19/69/188171969.db2.gz VBERXDRECRSPLG-MJBXVCDLSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000300987395 188171971 /nfs/dbraw/zinc/17/19/71/188171971.db2.gz VBERXDRECRSPLG-MJBXVCDLSA-N 1 3 224.392 2.352 20 0 BEADHO C(C1CC1)[NH+]1CCC(N2CCCCC2)CC1 ZINC000336489680 188229779 /nfs/dbraw/zinc/22/97/79/188229779.db2.gz VHTRDWLXBQXFNW-UHFFFAOYSA-N 1 3 222.376 2.347 20 0 BEADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000252771844 353304027 /nfs/dbraw/zinc/30/40/27/353304027.db2.gz IOQNHHSXIVDSAY-APIJFGDWSA-N 1 3 246.354 2.024 20 0 BEADHO CC(C)[C@](C)(CN)[NH2+]Cc1cncc(Cl)c1 ZINC000307976561 353374111 /nfs/dbraw/zinc/37/41/11/353374111.db2.gz LQGVFQSZJCFLOU-LBPRGKRZSA-N 1 3 241.766 2.198 20 0 BEADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000336773921 353420564 /nfs/dbraw/zinc/42/05/64/353420564.db2.gz WLNLAMAGYRFKIQ-OLZOCXBDSA-N 1 3 242.432 2.061 20 0 BEADHO CCN(CC)CCC[NH2+]CC1(C)CCC1 ZINC000308979235 491050974 /nfs/dbraw/zinc/05/09/74/491050974.db2.gz JOURJJDWJSZTJE-UHFFFAOYSA-N 1 3 212.381 2.498 20 0 BEADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCN ZINC000308851066 188523162 /nfs/dbraw/zinc/52/31/62/188523162.db2.gz RGWMNOWTMHRVHI-NWDGAFQWSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@H]1C[N@H+](CC[C@@H]2CCCN2C)CCC1(F)F ZINC000334685095 354431170 /nfs/dbraw/zinc/43/11/70/354431170.db2.gz VNEDBJLLOZSNGF-RYUDHWBXSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCC1(F)F ZINC000334685095 354431172 /nfs/dbraw/zinc/43/11/72/354431172.db2.gz VNEDBJLLOZSNGF-RYUDHWBXSA-N 1 3 246.345 2.448 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCCO1 ZINC000346559512 354968357 /nfs/dbraw/zinc/96/83/57/354968357.db2.gz OOEUZKWYGZFRKV-CRWXNKLISA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000346559512 354968359 /nfs/dbraw/zinc/96/83/59/354968359.db2.gz OOEUZKWYGZFRKV-CRWXNKLISA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CCCO1 ZINC000346559517 354968632 /nfs/dbraw/zinc/96/86/32/354968632.db2.gz OOEUZKWYGZFRKV-REWJHTLYSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000346559517 354968634 /nfs/dbraw/zinc/96/86/34/354968634.db2.gz OOEUZKWYGZFRKV-REWJHTLYSA-N 1 3 240.391 2.016 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)CC1 ZINC000335196467 355029863 /nfs/dbraw/zinc/02/98/63/355029863.db2.gz WHQAXQVMOZSSMG-QWHCGFSZSA-N 1 3 242.432 2.156 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)CC1 ZINC000335196467 355029867 /nfs/dbraw/zinc/02/98/67/355029867.db2.gz WHQAXQVMOZSSMG-QWHCGFSZSA-N 1 3 242.432 2.156 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCSC2)CC1 ZINC000335196475 355029877 /nfs/dbraw/zinc/02/98/77/355029877.db2.gz WHQAXQVMOZSSMG-STQMWFEESA-N 1 3 242.432 2.156 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)CC1 ZINC000335196475 355029880 /nfs/dbraw/zinc/02/98/80/355029880.db2.gz WHQAXQVMOZSSMG-STQMWFEESA-N 1 3 242.432 2.156 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000335215937 355054091 /nfs/dbraw/zinc/05/40/91/355054091.db2.gz KORIKVQSEDSUNM-UONOGXRCSA-N 1 3 241.338 2.204 20 0 BEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccs1 ZINC000335217871 355056280 /nfs/dbraw/zinc/05/62/80/355056280.db2.gz MDHNVSLRAMQJGP-VXGBXAGGSA-N 1 3 224.373 2.498 20 0 BEADHO C[N@H+](CCCc1ccccc1)CC(C)(C)N ZINC000346821019 355124970 /nfs/dbraw/zinc/12/49/70/355124970.db2.gz KQSHZTBCHHNYKR-UHFFFAOYSA-N 1 3 220.360 2.288 20 0 BEADHO C[N@@H+](CCCc1ccccc1)CC(C)(C)N ZINC000346821019 355124972 /nfs/dbraw/zinc/12/49/72/355124972.db2.gz KQSHZTBCHHNYKR-UHFFFAOYSA-N 1 3 220.360 2.288 20 0 BEADHO C[C@H]1Cc2ccccc2CN1C[C@H]1CCC[NH2+]C1 ZINC000346975485 355209093 /nfs/dbraw/zinc/20/90/93/355209093.db2.gz JEOZXBLISFPACL-KBPBESRZSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)[C@@H]2CCCC[C@@H]21 ZINC000347008690 355202321 /nfs/dbraw/zinc/20/23/21/355202321.db2.gz RVOZTYNRKJMBFL-KBUPBQIOSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)[C@@H]2CCCC[C@@H]21 ZINC000347008690 355202323 /nfs/dbraw/zinc/20/23/23/355202323.db2.gz RVOZTYNRKJMBFL-KBUPBQIOSA-N 1 3 236.403 2.497 20 0 BEADHO CCSCC[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000347012159 355204428 /nfs/dbraw/zinc/20/44/28/355204428.db2.gz UUSFBSJTNKRNJK-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000347012159 355204433 /nfs/dbraw/zinc/20/44/33/355204433.db2.gz UUSFBSJTNKRNJK-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO CCSCC[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000347012159 355204436 /nfs/dbraw/zinc/20/44/36/355204436.db2.gz UUSFBSJTNKRNJK-OLZOCXBDSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CC1(F)F ZINC000639245730 355275016 /nfs/dbraw/zinc/27/50/16/355275016.db2.gz BDXPBJKEAAFUSQ-RIEIUKCASA-N 1 3 244.329 2.245 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CC1(F)F ZINC000639245730 355275019 /nfs/dbraw/zinc/27/50/19/355275019.db2.gz BDXPBJKEAAFUSQ-RIEIUKCASA-N 1 3 244.329 2.245 20 0 BEADHO CCCC[C@H](COC)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414823775 191585663 /nfs/dbraw/zinc/58/56/63/191585663.db2.gz PJOHSRSCFPTQPO-HZSPNIEDSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414823775 191585665 /nfs/dbraw/zinc/58/56/65/191585665.db2.gz PJOHSRSCFPTQPO-HZSPNIEDSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000414881051 191613519 /nfs/dbraw/zinc/61/35/19/191613519.db2.gz RWDUEMARWQFVED-RAIGVLPGSA-N 1 3 210.365 2.140 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000414975721 191638671 /nfs/dbraw/zinc/63/86/71/191638671.db2.gz GWIAZKCOLDACAI-ZDUSSCGKSA-N 1 3 206.333 2.130 20 0 BEADHO CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000335837726 355566830 /nfs/dbraw/zinc/56/68/30/355566830.db2.gz NYCBVLMCRPBMAQ-QWHCGFSZSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@H]1C[N@H+](C[C@H]2CCCNC2)CCS1 ZINC000335837726 355566835 /nfs/dbraw/zinc/56/68/35/355566835.db2.gz NYCBVLMCRPBMAQ-QWHCGFSZSA-N 1 3 242.432 2.059 20 0 BEADHO CC(C)[C@H]1C[N@@H+](C[C@H]2CCCNC2)CCS1 ZINC000335837726 355566837 /nfs/dbraw/zinc/56/68/37/355566837.db2.gz NYCBVLMCRPBMAQ-QWHCGFSZSA-N 1 3 242.432 2.059 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)CS1 ZINC000639346599 355793116 /nfs/dbraw/zinc/79/31/16/355793116.db2.gz HMKUZJWSOYHEFS-FRRDWIJNSA-N 1 3 242.432 2.202 20 0 BEADHO CCCN1CC[C@@H](C[NH2+]CC2(C)CC2)C1 ZINC000309063707 355988934 /nfs/dbraw/zinc/98/89/34/355988934.db2.gz YEFRHUOXKZKEBR-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CC[N@H+](CC[C@@H]1CCCO1)[C@H]1CCCNCC1 ZINC000420300988 192206944 /nfs/dbraw/zinc/20/69/44/192206944.db2.gz ABEHWVCBGQZIDF-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CC[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCCNCC1 ZINC000420300988 192206946 /nfs/dbraw/zinc/20/69/46/192206946.db2.gz ABEHWVCBGQZIDF-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000336120951 134091157 /nfs/dbraw/zinc/09/11/57/134091157.db2.gz GJAFYROZJUEDIZ-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000336120951 134091158 /nfs/dbraw/zinc/09/11/58/134091158.db2.gz GJAFYROZJUEDIZ-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H]1C[C@H](C[NH3+])CN1CCCc1ccsc1 ZINC000420316219 192213319 /nfs/dbraw/zinc/21/33/19/192213319.db2.gz LTTGZTURKISMBO-WCQYABFASA-N 1 3 238.400 2.350 20 0 BEADHO CN(CC[C@H]1CCCCO1)[C@H]1CCC[NH2+]CC1 ZINC000420318414 192214290 /nfs/dbraw/zinc/21/42/90/192214290.db2.gz WBEQBIYRLQOHTG-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@H+](CC[C@H]1CCCCO1)[C@H]1CCCNCC1 ZINC000420318414 192214291 /nfs/dbraw/zinc/21/42/91/192214291.db2.gz WBEQBIYRLQOHTG-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[N@@H+](CC[C@H]1CCCCO1)[C@H]1CCCNCC1 ZINC000420318414 192214293 /nfs/dbraw/zinc/21/42/93/192214293.db2.gz WBEQBIYRLQOHTG-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO NCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420307713 192208451 /nfs/dbraw/zinc/20/84/51/192208451.db2.gz CDTUGCHEWSGGHJ-KGLIPLIRSA-N 1 3 240.391 2.149 20 0 BEADHO NCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000420307713 192208452 /nfs/dbraw/zinc/20/84/52/192208452.db2.gz CDTUGCHEWSGGHJ-KGLIPLIRSA-N 1 3 240.391 2.149 20 0 BEADHO [NH3+]CC[C@H]1CCCCN1CC[C@@H]1CCCCO1 ZINC000420307713 192208455 /nfs/dbraw/zinc/20/84/55/192208455.db2.gz CDTUGCHEWSGGHJ-KGLIPLIRSA-N 1 3 240.391 2.149 20 0 BEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2C)cc1 ZINC000420306612 192208906 /nfs/dbraw/zinc/20/89/06/192208906.db2.gz QNBBTOONRRNWPM-OCCSQVGLSA-N 1 3 248.370 2.222 20 0 BEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2C)cc1 ZINC000420306612 192208908 /nfs/dbraw/zinc/20/89/08/192208908.db2.gz QNBBTOONRRNWPM-OCCSQVGLSA-N 1 3 248.370 2.222 20 0 BEADHO Cc1ccccc1CCCN(C)C1CC([NH3+])C1 ZINC000420327021 192230669 /nfs/dbraw/zinc/23/06/69/192230669.db2.gz GESXFDSKFRZNIT-UHFFFAOYSA-N 1 3 232.371 2.349 20 0 BEADHO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)N ZINC000420356966 192220127 /nfs/dbraw/zinc/22/01/27/192220127.db2.gz HIDGLPDBINMSMK-FZMZJTMJSA-N 1 3 218.344 2.171 20 0 BEADHO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](C)N ZINC000420356966 192220129 /nfs/dbraw/zinc/22/01/29/192220129.db2.gz HIDGLPDBINMSMK-FZMZJTMJSA-N 1 3 218.344 2.171 20 0 BEADHO Cc1ccc(CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420408094 192238892 /nfs/dbraw/zinc/23/88/92/192238892.db2.gz OWXZEAQXPHNQEF-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC000420408094 192238895 /nfs/dbraw/zinc/23/88/95/192238895.db2.gz OWXZEAQXPHNQEF-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)cc1 ZINC000420408094 192238897 /nfs/dbraw/zinc/23/88/97/192238897.db2.gz OWXZEAQXPHNQEF-ZBFHGGJFSA-N 1 3 246.398 2.454 20 0 BEADHO C[C@@H]([NH3+])CN[C@@H](C)C(C)(C)c1ccccc1 ZINC000420411524 192239838 /nfs/dbraw/zinc/23/98/38/192239838.db2.gz RTDGAHDIGOZBKI-NEPJUHHUSA-N 1 3 220.360 2.290 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1F ZINC000420415725 192241336 /nfs/dbraw/zinc/24/13/36/192241336.db2.gz VDEJXEXJHUWWKI-UWVGGRQHSA-N 1 3 210.296 2.132 20 0 BEADHO c1cc(N2CCC[N@@H+](CCC3CC3)CC2)ccn1 ZINC000639683195 356593692 /nfs/dbraw/zinc/59/36/92/356593692.db2.gz ROERKDJELJLXNT-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO c1cc(N2CCC[N@H+](CCC3CC3)CC2)ccn1 ZINC000639683195 356593693 /nfs/dbraw/zinc/59/36/93/356593693.db2.gz ROERKDJELJLXNT-UHFFFAOYSA-N 1 3 245.370 2.394 20 0 BEADHO CC(C)CC(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000422922591 192507101 /nfs/dbraw/zinc/50/71/01/192507101.db2.gz UCOAVTNUVNUXET-NSHDSACASA-N 1 3 212.381 2.256 20 0 BEADHO CCC[N@@H+]1CC[C@H](CNc2ccnc(CC)c2)C1 ZINC000450272333 202115612 /nfs/dbraw/zinc/11/56/12/202115612.db2.gz BGJNYBNNCRKACD-CYBMUJFWSA-N 1 3 247.386 2.210 20 0 BEADHO CCC[N@H+]1CC[C@H](CNc2ccnc(CC)c2)C1 ZINC000450272333 202115615 /nfs/dbraw/zinc/11/56/15/202115615.db2.gz BGJNYBNNCRKACD-CYBMUJFWSA-N 1 3 247.386 2.210 20 0 BEADHO CSCCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000423056065 192554237 /nfs/dbraw/zinc/55/42/37/192554237.db2.gz WWYUWMLNWQNJQT-QWRGUYRKSA-N 1 3 218.410 2.235 20 0 BEADHO CCc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000450333630 202131814 /nfs/dbraw/zinc/13/18/14/202131814.db2.gz QJLPMJXSXXSSDQ-CYBMUJFWSA-N 1 3 247.386 2.422 20 0 BEADHO CCc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000450333630 202131817 /nfs/dbraw/zinc/13/18/17/202131817.db2.gz QJLPMJXSXXSSDQ-CYBMUJFWSA-N 1 3 247.386 2.422 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)[C@H]1C)C1CNC1 ZINC000423101639 192568770 /nfs/dbraw/zinc/56/87/70/192568770.db2.gz WEFRXSNJZQOQKI-FDYHWXHSSA-N 1 3 224.392 2.256 20 0 BEADHO Cc1ccc(CCN[C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000563951294 356664650 /nfs/dbraw/zinc/66/46/50/356664650.db2.gz XUXHHLIASPAJBJ-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000423095819 192565164 /nfs/dbraw/zinc/56/51/64/192565164.db2.gz NBZPZLWTEIQICK-DCAQKATOSA-N 1 3 232.318 2.139 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130158941 325019701 /nfs/dbraw/zinc/01/97/01/325019701.db2.gz YZWZUEDYMBGUHJ-YNEHKIRRSA-N 1 3 210.365 2.247 20 0 BEADHO C[N@@H+]1CC[C@@H](NCCc2ccccn2)CC1(C)C ZINC000623336602 356724786 /nfs/dbraw/zinc/72/47/86/356724786.db2.gz ZFAYUOVVQDSOGJ-CQSZACIVSA-N 1 3 247.386 2.087 20 0 BEADHO C[N@H+]1CC[C@@H](NCCc2ccccn2)CC1(C)C ZINC000623336602 356724788 /nfs/dbraw/zinc/72/47/88/356724788.db2.gz ZFAYUOVVQDSOGJ-CQSZACIVSA-N 1 3 247.386 2.087 20 0 BEADHO C([C@@H]1CCCCNC1)[NH+]1CCCCCC1 ZINC000257651212 538740148 /nfs/dbraw/zinc/74/01/48/538740148.db2.gz GAKLNLFHTKMVHK-CYBMUJFWSA-N 1 3 210.365 2.252 20 0 BEADHO CCCCOCCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000119592431 357029015 /nfs/dbraw/zinc/02/90/15/357029015.db2.gz SLKJOVXCXFVEHJ-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO CCCCOCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000119592431 357029018 /nfs/dbraw/zinc/02/90/18/357029018.db2.gz SLKJOVXCXFVEHJ-KBPBESRZSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000582480737 357316884 /nfs/dbraw/zinc/31/68/84/357316884.db2.gz SPPVTESGEFCQHW-XVIXHAIJSA-N 1 3 240.391 2.063 20 0 BEADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccncc1 ZINC000582667165 357358501 /nfs/dbraw/zinc/35/85/01/357358501.db2.gz XSDMFBIKEQAWSA-GFCCVEGCSA-N 1 3 241.338 2.391 20 0 BEADHO CC(F)(F)CCNC1CC[NH+](CC2CC2)CC1 ZINC000583064806 357472198 /nfs/dbraw/zinc/47/21/98/357472198.db2.gz IUSIQOCRNMCCKV-UHFFFAOYSA-N 1 3 246.345 2.496 20 0 BEADHO Cc1ccc(CN(C)CCC[NH3+])c(C)c1 ZINC000106887123 363586679 /nfs/dbraw/zinc/58/66/79/363586679.db2.gz YQZZQOKOTHSHOU-UHFFFAOYSA-N 1 3 206.333 2.084 20 0 BEADHO Cc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000168501640 134224771 /nfs/dbraw/zinc/22/47/71/134224771.db2.gz ZFGHCPBRMVQXCP-GHMZBOCLSA-N 1 3 224.373 2.226 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2(F)CCC2)C1 ZINC000583763861 357938328 /nfs/dbraw/zinc/93/83/28/357938328.db2.gz MQLGIPDSUMFQBZ-GHMZBOCLSA-N 1 3 214.328 2.128 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000423304359 192691851 /nfs/dbraw/zinc/69/18/51/192691851.db2.gz YLEVYPPEJCRYPM-QMTHXVAHSA-N 1 3 236.334 2.461 20 0 BEADHO CC1(C[NH2+][C@H]2CCCNCC2)CCCC1 ZINC000168752842 134247755 /nfs/dbraw/zinc/24/77/55/134247755.db2.gz FXXAVKCIIAVMOY-LBPRGKRZSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000168716965 134246556 /nfs/dbraw/zinc/24/65/56/134246556.db2.gz ICPPAPNNHHPOIQ-UPJWGTAASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@]1(C[NH2+][C@H]2CCCNCC2)CCCS1 ZINC000168774259 134247924 /nfs/dbraw/zinc/24/79/24/134247924.db2.gz WFKCVLPTDWTVHJ-RYUDHWBXSA-N 1 3 228.405 2.004 20 0 BEADHO c1ccc2c(c1)CC[NH+](C[C@@H]1CCCNC1)CC2 ZINC000079572128 358106213 /nfs/dbraw/zinc/10/62/13/358106213.db2.gz KOQFORUGCHSTJU-CQSZACIVSA-N 1 3 244.382 2.087 20 0 BEADHO c1ccc2c(c1)CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000079572128 358106216 /nfs/dbraw/zinc/10/62/16/358106216.db2.gz KOQFORUGCHSTJU-CQSZACIVSA-N 1 3 244.382 2.087 20 0 BEADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000224969760 358241960 /nfs/dbraw/zinc/24/19/60/358241960.db2.gz KUSBPPIWHCNXCD-QWHCGFSZSA-N 1 3 228.380 2.051 20 0 BEADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 ZINC000040621456 358243080 /nfs/dbraw/zinc/24/30/80/358243080.db2.gz AHDNCOBMGLDNLK-NWDGAFQWSA-N 1 3 210.365 2.105 20 0 BEADHO C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)CCS1 ZINC000248956056 358332820 /nfs/dbraw/zinc/33/28/20/358332820.db2.gz BMYJMQAULLPXID-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)CCS1 ZINC000248956056 358332823 /nfs/dbraw/zinc/33/28/23/358332823.db2.gz BMYJMQAULLPXID-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]([N@H+](C)C[C@@H]1CCCNC1)C(C)(C)C ZINC000042781604 358358236 /nfs/dbraw/zinc/35/82/36/358358236.db2.gz HJRDZGYJMGOCRP-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]([N@@H+](C)C[C@@H]1CCCNC1)C(C)(C)C ZINC000042781604 358358240 /nfs/dbraw/zinc/35/82/40/358358240.db2.gz HJRDZGYJMGOCRP-VXGBXAGGSA-N 1 3 212.381 2.352 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC000173884796 134278465 /nfs/dbraw/zinc/27/84/65/134278465.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC000173884796 134278466 /nfs/dbraw/zinc/27/84/66/134278466.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCC(C)C)C1 ZINC000173884796 134278467 /nfs/dbraw/zinc/27/84/67/134278467.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCC(C)C)C1 ZINC000173884796 134278468 /nfs/dbraw/zinc/27/84/68/134278468.db2.gz RKOGXESOLJSIGM-ZDUSSCGKSA-N 1 3 212.381 2.306 20 0 BEADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCOC)C1 ZINC000173924560 134276452 /nfs/dbraw/zinc/27/64/52/134276452.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCOC)C1 ZINC000173924560 134276453 /nfs/dbraw/zinc/27/64/53/134276453.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCOC)C1 ZINC000173924560 134276454 /nfs/dbraw/zinc/27/64/54/134276454.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC000173924560 134276455 /nfs/dbraw/zinc/27/64/55/134276455.db2.gz WPDOTTRXRMDAHK-AWEZNQCLSA-N 1 3 242.407 2.077 20 0 BEADHO c1ccc2c(C[NH2+][C@H]3CCCNC3)ccnc2c1 ZINC000580417257 358519096 /nfs/dbraw/zinc/51/90/96/358519096.db2.gz CXNIPMPJVZZYJI-ZDUSSCGKSA-N 1 3 241.338 2.076 20 0 BEADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000131597807 358684577 /nfs/dbraw/zinc/68/45/77/358684577.db2.gz OOXZVUSMUMBUDU-KBPBESRZSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCOc1ccccc1 ZINC000131597807 358684580 /nfs/dbraw/zinc/68/45/80/358684580.db2.gz OOXZVUSMUMBUDU-KBPBESRZSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCOc1ccccc1 ZINC000131597807 358684584 /nfs/dbraw/zinc/68/45/84/358684584.db2.gz OOXZVUSMUMBUDU-KBPBESRZSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@H]1C[C@H](C[NH3+])CN1CCCOc1ccccc1 ZINC000131597386 358684721 /nfs/dbraw/zinc/68/47/21/358684721.db2.gz OOXZVUSMUMBUDU-UONOGXRCSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCOc1ccccc1 ZINC000131597386 358684724 /nfs/dbraw/zinc/68/47/24/358684724.db2.gz OOXZVUSMUMBUDU-UONOGXRCSA-N 1 3 248.370 2.125 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCOc1ccccc1 ZINC000131597386 358684728 /nfs/dbraw/zinc/68/47/28/358684728.db2.gz OOXZVUSMUMBUDU-UONOGXRCSA-N 1 3 248.370 2.125 20 0 BEADHO COCCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132067086 358705255 /nfs/dbraw/zinc/70/52/55/358705255.db2.gz JDYKFXWSYOCZJK-KBPBESRZSA-N 1 3 234.343 2.147 20 0 BEADHO Cc1ccccc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000219836518 134292351 /nfs/dbraw/zinc/29/23/51/134292351.db2.gz RYRFEPQYAFWMQG-JSGCOSHPSA-N 1 3 218.344 2.164 20 0 BEADHO C[C@@H](NCc1ccoc1)C1CC[NH+](C)CC1 ZINC000132532645 491136561 /nfs/dbraw/zinc/13/65/61/491136561.db2.gz PRRVCSGUFLDFEH-LLVKDONJSA-N 1 3 222.332 2.100 20 0 BEADHO CCCOc1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000136133161 358865170 /nfs/dbraw/zinc/86/51/70/358865170.db2.gz HSCCLXSNVSMCDB-GFCCVEGCSA-N 1 3 236.359 2.302 20 0 BEADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCc2ccccc2C1 ZINC000396638402 358941234 /nfs/dbraw/zinc/94/12/34/358941234.db2.gz HFHSFEFSUZTZIA-APHBMKBZSA-N 1 3 244.382 2.274 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2c1CCCN2 ZINC000423411950 192747307 /nfs/dbraw/zinc/74/73/07/192747307.db2.gz GQCSNESKORPBBM-NWDGAFQWSA-N 1 3 247.386 2.260 20 0 BEADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1cccc(OC)c1 ZINC000423433343 192767534 /nfs/dbraw/zinc/76/75/34/192767534.db2.gz CFOPZZZHFGUMMZ-SUNKGSAMSA-N 1 3 236.359 2.472 20 0 BEADHO CO[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623436966 359329965 /nfs/dbraw/zinc/32/99/65/359329965.db2.gz LSXRXXOVEQABHH-QWHCGFSZSA-N 1 3 242.407 2.120 20 0 BEADHO CO[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623436966 359329969 /nfs/dbraw/zinc/32/99/69/359329969.db2.gz LSXRXXOVEQABHH-QWHCGFSZSA-N 1 3 242.407 2.120 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000423471075 192784663 /nfs/dbraw/zinc/78/46/63/192784663.db2.gz POAQMOVLZZIVPH-TZMCWYRMSA-N 1 3 236.359 2.473 20 0 BEADHO Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000423492219 192793942 /nfs/dbraw/zinc/79/39/42/192793942.db2.gz MFXDMRBKKQJABO-SDDRHHMPSA-N 1 3 222.332 2.366 20 0 BEADHO C[C@H](Cc1ccsc1)N[C@H](C)[C@H](C)[NH3+] ZINC000379542094 359540605 /nfs/dbraw/zinc/54/06/05/359540605.db2.gz QUTUZVRXRHLLJV-KXUCPTDWSA-N 1 3 212.362 2.004 20 0 BEADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1ccsc1 ZINC000379542092 359540760 /nfs/dbraw/zinc/54/07/60/359540760.db2.gz QUTUZVRXRHLLJV-BBBLOLIVSA-N 1 3 212.362 2.004 20 0 BEADHO COCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCC1 ZINC000580451113 359558645 /nfs/dbraw/zinc/55/86/45/359558645.db2.gz YSFAMHVRGQZDLP-OLZOCXBDSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCNC2)C[C@@H]1C ZINC000087647415 359922601 /nfs/dbraw/zinc/92/26/01/359922601.db2.gz ACNARBXHXSZUKL-RQJABVFESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccnc1 ZINC000088169835 359939333 /nfs/dbraw/zinc/93/93/33/359939333.db2.gz VWNHKFSYIJLCTR-UHTWSYAYSA-N 1 3 219.332 2.002 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000089139565 359991557 /nfs/dbraw/zinc/99/15/57/359991557.db2.gz JVHGYNWOXVOSFF-LSDHHAIUSA-N 1 3 232.371 2.336 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089145572 359992770 /nfs/dbraw/zinc/99/27/70/359992770.db2.gz YJNWSRBUINMXBC-DZGCQCFKSA-N 1 3 248.370 2.042 20 0 BEADHO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2CN)c1 ZINC000089150526 359993948 /nfs/dbraw/zinc/99/39/48/359993948.db2.gz ADWXGDFNDNTWQZ-CABCVRRESA-N 1 3 232.371 2.255 20 0 BEADHO C[NH+](C)C1CCN(C[C@H]2CC=CCC2)CC1 ZINC000091669393 360123494 /nfs/dbraw/zinc/12/34/94/360123494.db2.gz CVTXHYVBBMWDJF-ZDUSSCGKSA-N 1 3 222.376 2.369 20 0 BEADHO CC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000161779068 360552667 /nfs/dbraw/zinc/55/26/67/360552667.db2.gz YACIYMGCMGWNQR-POOIEITISA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000161779068 360552670 /nfs/dbraw/zinc/55/26/70/360552670.db2.gz YACIYMGCMGWNQR-POOIEITISA-N 1 3 208.349 2.001 20 0 BEADHO CC1CC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000161779068 360552674 /nfs/dbraw/zinc/55/26/74/360552674.db2.gz YACIYMGCMGWNQR-POOIEITISA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074107 360946183 /nfs/dbraw/zinc/94/61/83/360946183.db2.gz JDGVJWITKWXVMH-TUAOUCFPSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074107 360946186 /nfs/dbraw/zinc/94/61/86/360946186.db2.gz JDGVJWITKWXVMH-TUAOUCFPSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000414882308 200774316 /nfs/dbraw/zinc/77/43/16/200774316.db2.gz UABUVFZZEQUROJ-TUAOUCFPSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000629407514 361055484 /nfs/dbraw/zinc/05/54/84/361055484.db2.gz CBNQKZMGDCOZAC-CMPLNLGQSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000629407590 361055548 /nfs/dbraw/zinc/05/55/48/361055548.db2.gz FEKBEYQUKKYZEB-UJPOAAIJSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000629407587 361055695 /nfs/dbraw/zinc/05/56/95/361055695.db2.gz FEKBEYQUKKYZEB-KSSYENDESA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000629407673 361056556 /nfs/dbraw/zinc/05/65/56/361056556.db2.gz HSSABVYBYMRZBP-NAWOPXAZSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408036 361056630 /nfs/dbraw/zinc/05/66/30/361056630.db2.gz OXUVZYQSEMZPAL-XHNCKOQMSA-N 1 3 224.270 2.057 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCCC1(C)C ZINC000629405444 361052664 /nfs/dbraw/zinc/05/26/64/361052664.db2.gz AYJPMSABMZYCFG-QJPTWQEYSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000629407675 361057270 /nfs/dbraw/zinc/05/72/70/361057270.db2.gz HSSABVYBYMRZBP-UJPOAAIJSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629408236 361058238 /nfs/dbraw/zinc/05/82/38/361058238.db2.gz SDAQRKIVWSXRRG-QNWHQSFQSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C(C)C)C1CC1 ZINC000629526169 361128154 /nfs/dbraw/zinc/12/81/54/361128154.db2.gz MBASBFRGMVVSJS-YNEHKIRRSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C(C)C)C1CC1 ZINC000629526169 361128165 /nfs/dbraw/zinc/12/81/65/361128165.db2.gz MBASBFRGMVVSJS-YNEHKIRRSA-N 1 3 210.365 2.151 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000629527773 361134332 /nfs/dbraw/zinc/13/43/32/361134332.db2.gz FLMDNYMYVYSMLX-BFHYXJOUSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000629527933 361134861 /nfs/dbraw/zinc/13/48/61/361134861.db2.gz JVBYZJDPGTZXIV-ODXJTPSBSA-N 1 3 222.376 2.295 20 0 BEADHO CCO[C@@H](C[N@@H+]1CCCC[C@@H]1CCN)C1CC1 ZINC000629531656 361149045 /nfs/dbraw/zinc/14/90/45/361149045.db2.gz SUIWLOSJSLONAX-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO CCO[C@@H](C[N@H+]1CCCC[C@@H]1CCN)C1CC1 ZINC000629531656 361149050 /nfs/dbraw/zinc/14/90/50/361149050.db2.gz SUIWLOSJSLONAX-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369729 200922766 /nfs/dbraw/zinc/92/27/66/200922766.db2.gz CFXQFNJODNOIHF-VZZFWQQMSA-N 1 3 222.376 2.153 20 0 BEADHO Cc1ccc(C(C)(C)CN[C@H](C)C[C@H](C)[NH3+])nc1 ZINC000629524617 361125680 /nfs/dbraw/zinc/12/56/80/361125680.db2.gz UAPZYZPNVOJJMI-QWHCGFSZSA-N 1 3 249.402 2.383 20 0 BEADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C[C@H](C)N)nc1 ZINC000629524617 361125684 /nfs/dbraw/zinc/12/56/84/361125684.db2.gz UAPZYZPNVOJJMI-QWHCGFSZSA-N 1 3 249.402 2.383 20 0 BEADHO CC1CC(C[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000622044444 370672982 /nfs/dbraw/zinc/67/29/82/370672982.db2.gz FSVHQJDOIGLPOY-POOIEITISA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](NCC[C@@H]1CC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000622043663 370675977 /nfs/dbraw/zinc/67/59/77/370675977.db2.gz HFLQJAMDQSNUNR-HBNTYKKESA-N 1 3 232.318 2.152 20 0 BEADHO CC[C@@H](Cc1cccs1)[NH2+]CC[C@H](C)N ZINC000622045617 370679664 /nfs/dbraw/zinc/67/96/64/370679664.db2.gz GMOWCNZCXVSJSM-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO CC[C@@H](Cc1cccs1)NCC[C@H](C)[NH3+] ZINC000622045617 370679670 /nfs/dbraw/zinc/67/96/70/370679670.db2.gz GMOWCNZCXVSJSM-QWRGUYRKSA-N 1 3 226.389 2.396 20 0 BEADHO CCO[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(CC)CC ZINC000622045472 370679696 /nfs/dbraw/zinc/67/96/96/370679696.db2.gz XGJAQCHGVGFXRJ-XQQFMLRXSA-N 1 3 242.407 2.297 20 0 BEADHO CCO[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(CC)CC ZINC000622045472 370679701 /nfs/dbraw/zinc/67/97/01/370679701.db2.gz XGJAQCHGVGFXRJ-XQQFMLRXSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000579328727 366759392 /nfs/dbraw/zinc/75/93/92/366759392.db2.gz PBPKENYUYYPVQY-MDZLAQPJSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H](Cc1ccsc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000579328727 366759400 /nfs/dbraw/zinc/75/94/00/366759400.db2.gz PBPKENYUYYPVQY-MDZLAQPJSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000579328733 366759753 /nfs/dbraw/zinc/75/97/53/366759753.db2.gz PBPKENYUYYPVQY-NTZNESFSSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H](Cc1ccsc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000579328733 366759757 /nfs/dbraw/zinc/75/97/57/366759757.db2.gz PBPKENYUYYPVQY-NTZNESFSSA-N 1 3 238.400 2.409 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000429528147 201112388 /nfs/dbraw/zinc/11/23/88/201112388.db2.gz IPAWIRWBVBRHLC-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000429528147 201112390 /nfs/dbraw/zinc/11/23/90/201112390.db2.gz IPAWIRWBVBRHLC-CYBMUJFWSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1CC[C@@H](N[C@H]2CCCC23CCC3)C[NH2+]1 ZINC000629538814 361403961 /nfs/dbraw/zinc/40/39/61/361403961.db2.gz LGZYTGISQNGURM-UPJWGTAASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000629543802 361413352 /nfs/dbraw/zinc/41/33/52/361413352.db2.gz BQULZLDWYBGSAW-QCNOEVLYSA-N 1 3 210.365 2.151 20 0 BEADHO C[C@@H]1CC[C@H](NC2CCC3(CC3)CC2)C[NH2+]1 ZINC000629542618 361420799 /nfs/dbraw/zinc/42/07/99/361420799.db2.gz HCVFLMLLGOYKLK-YPMHNXCESA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000629544262 361422850 /nfs/dbraw/zinc/42/28/50/361422850.db2.gz HENDHUWBVRWUGS-UMSGYPCISA-N 1 3 228.355 2.245 20 0 BEADHO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000629553238 361438110 /nfs/dbraw/zinc/43/81/10/361438110.db2.gz QWCMMFGDBNGKSZ-YNEHKIRRSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](NC[C@H]1CCCC12CC2)[C@@H]1CCC[NH2+]1 ZINC000629554282 361439869 /nfs/dbraw/zinc/43/98/69/361439869.db2.gz HGYIPMFUXMZEAZ-XQQFMLRXSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@@H]1CCCN1 ZINC000629554282 361439870 /nfs/dbraw/zinc/43/98/70/361439870.db2.gz HGYIPMFUXMZEAZ-XQQFMLRXSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H](NC[C@H]1CCCC12CC2)[C@H]1CCC[NH2+]1 ZINC000629554283 361440053 /nfs/dbraw/zinc/44/00/53/361440053.db2.gz HGYIPMFUXMZEAZ-YNEHKIRRSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@H]1CCCN1 ZINC000629554283 361440056 /nfs/dbraw/zinc/44/00/56/361440056.db2.gz HGYIPMFUXMZEAZ-YNEHKIRRSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)C[C@H](C)CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629660066 361564522 /nfs/dbraw/zinc/56/45/22/361564522.db2.gz NDLPBLUVMMBSCS-XQQFMLRXSA-N 1 3 212.381 2.399 20 0 BEADHO C[NH2+]CCCN1CC[C@H](Cc2ccccc2)C1 ZINC000435880142 201293863 /nfs/dbraw/zinc/29/38/63/201293863.db2.gz NOGYXIYAAPBKKE-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO CNCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000435880142 201293865 /nfs/dbraw/zinc/29/38/65/201293865.db2.gz NOGYXIYAAPBKKE-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO CNCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000435880142 201293868 /nfs/dbraw/zinc/29/38/68/201293868.db2.gz NOGYXIYAAPBKKE-OAHLLOKOSA-N 1 3 232.371 2.161 20 0 BEADHO C[NH2+]CCCN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000435871730 201294112 /nfs/dbraw/zinc/29/41/12/201294112.db2.gz LJDMVYQHYQLNOR-DZGCQCFKSA-N 1 3 232.371 2.474 20 0 BEADHO NCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000437779780 201371288 /nfs/dbraw/zinc/37/12/88/201371288.db2.gz CAJVAUYCYWRIBJ-ZIAGYGMSSA-N 1 3 218.344 2.261 20 0 BEADHO Cc1ncc(CN2CCC(CC[NH3+])CC2)s1 ZINC000069730055 541386179 /nfs/dbraw/zinc/38/61/79/541386179.db2.gz SSVGOZNQYIKRSK-UHFFFAOYSA-N 1 3 239.388 2.012 20 0 BEADHO N[C@@H]1CCC[C@@H]([NH2+]CCCNc2ccccc2)C1 ZINC000573742777 364908258 /nfs/dbraw/zinc/90/82/58/364908258.db2.gz ZBMBYCGPSUHOLH-UKRRQHHQSA-N 1 3 247.386 2.348 20 0 BEADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](C)[C@H](C)N ZINC000573953363 364953900 /nfs/dbraw/zinc/95/39/00/364953900.db2.gz ZVYPQCGCOSRBJV-MJVIPROJSA-N 1 3 248.370 2.398 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc(C(F)F)cc1 ZINC000574139058 364994352 /nfs/dbraw/zinc/99/43/52/364994352.db2.gz XHKDKQXYWMGDSJ-SECBINFHSA-N 1 3 228.286 2.309 20 0 BEADHO NCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000336683195 181383565 /nfs/dbraw/zinc/38/35/65/181383565.db2.gz JPBHIDFZUHKVIP-GFCCVEGCSA-N 1 3 210.365 2.428 20 0 BEADHO C[C@H](C[N@H+](C)CCCN)c1ccc(F)cc1 ZINC000574277868 365026167 /nfs/dbraw/zinc/02/61/67/365026167.db2.gz VDEGMHSNZZHNBV-LLVKDONJSA-N 1 3 224.323 2.210 20 0 BEADHO C[C@H](C[N@@H+](C)CCCN)c1ccc(F)cc1 ZINC000574277868 365026170 /nfs/dbraw/zinc/02/61/70/365026170.db2.gz VDEGMHSNZZHNBV-LLVKDONJSA-N 1 3 224.323 2.210 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1CCCO1 ZINC000182264468 366879084 /nfs/dbraw/zinc/87/90/84/366879084.db2.gz OPIULKKYDMHDCR-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000182264468 366879093 /nfs/dbraw/zinc/87/90/93/366879093.db2.gz OPIULKKYDMHDCR-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](NCC[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000182264468 366879098 /nfs/dbraw/zinc/87/90/98/366879098.db2.gz OPIULKKYDMHDCR-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccnc2ccccc12 ZINC000576009991 365448388 /nfs/dbraw/zinc/44/83/88/365448388.db2.gz AUJRQFCYPBEQBH-LBPRGKRZSA-N 1 3 229.327 2.062 20 0 BEADHO CCNCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000576099196 365482618 /nfs/dbraw/zinc/48/26/18/365482618.db2.gz HEHUBINCOWDRDZ-YNEHKIRRSA-N 1 3 212.381 2.400 20 0 BEADHO CC[NH2+]CCCN[C@H](C)Cc1ccccc1F ZINC000579701382 366982715 /nfs/dbraw/zinc/98/27/15/366982715.db2.gz VKCVONNJZAJMIE-GFCCVEGCSA-N 1 3 238.350 2.346 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CC2CCC1CC2)C1CNC1 ZINC000564988683 325840836 /nfs/dbraw/zinc/84/08/36/325840836.db2.gz NSYDROGYTNPUTO-IKWCTNDRSA-N 1 3 222.376 2.010 20 0 BEADHO COCC[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000184509143 367081272 /nfs/dbraw/zinc/08/12/72/367081272.db2.gz RXKYJFXLVJEERP-UONOGXRCSA-N 1 3 242.407 2.266 20 0 BEADHO c1ccc(CC[N@@H+]2CCC[C@H]3CNCC[C@H]32)cc1 ZINC000631887139 370835188 /nfs/dbraw/zinc/83/51/88/370835188.db2.gz OCGUHYSEZDXCRR-JKSUJKDBSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CC[N@H+]2CCC[C@H]3CNCC[C@H]32)cc1 ZINC000631887139 370835192 /nfs/dbraw/zinc/83/51/92/370835192.db2.gz OCGUHYSEZDXCRR-JKSUJKDBSA-N 1 3 244.382 2.303 20 0 BEADHO c1ccc(CCN2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887139 370835198 /nfs/dbraw/zinc/83/51/98/370835198.db2.gz OCGUHYSEZDXCRR-JKSUJKDBSA-N 1 3 244.382 2.303 20 0 BEADHO CC[NH2+]CCCN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000581065717 367249579 /nfs/dbraw/zinc/24/95/79/367249579.db2.gz HYJJQPGFLQAQPH-OLZOCXBDSA-N 1 3 242.407 2.168 20 0 BEADHO CC[NH2+]CCCN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000581065716 367250119 /nfs/dbraw/zinc/25/01/19/367250119.db2.gz HYJJQPGFLQAQPH-CHWSQXEVSA-N 1 3 242.407 2.168 20 0 BEADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)C2CCC2)C1 ZINC000381465738 367410817 /nfs/dbraw/zinc/41/08/17/367410817.db2.gz LDDZZYCVWBMIAG-STQMWFEESA-N 1 3 224.392 2.495 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000581424108 367464883 /nfs/dbraw/zinc/46/48/83/367464883.db2.gz WEIPMPADMSFXCD-MFKMUULPSA-N 1 3 231.343 2.052 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000581424106 367465511 /nfs/dbraw/zinc/46/55/11/367465511.db2.gz WEIPMPADMSFXCD-GWCFXTLKSA-N 1 3 231.343 2.052 20 0 BEADHO CC[C@@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000382526914 367531734 /nfs/dbraw/zinc/53/17/34/367531734.db2.gz BOXMJLABJLPPDS-DGCLKSJQSA-N 1 3 210.365 2.297 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000382587104 367545027 /nfs/dbraw/zinc/54/50/27/367545027.db2.gz USTLPUKHTZPXSW-CQSZACIVSA-N 1 3 222.376 2.297 20 0 BEADHO CCCOc1ccc(C[NH2+]C[C@@H](N)CC)cc1 ZINC000581476228 367509034 /nfs/dbraw/zinc/50/90/34/367509034.db2.gz LQHPTDYMJXRSDJ-ZDUSSCGKSA-N 1 3 236.359 2.302 20 0 BEADHO C[C@H](CCc1ccco1)NCC[C@H]1CCC[NH2+]1 ZINC000581601941 367625471 /nfs/dbraw/zinc/62/54/71/367625471.db2.gz CBZARWSYEXKWEP-CHWSQXEVSA-N 1 3 236.359 2.332 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000383471216 367626303 /nfs/dbraw/zinc/62/63/03/367626303.db2.gz PNWZBRBSNZWXBQ-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000383471216 367626307 /nfs/dbraw/zinc/62/63/07/367626307.db2.gz PNWZBRBSNZWXBQ-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO Cc1ccc(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000383471216 367626310 /nfs/dbraw/zinc/62/63/10/367626310.db2.gz PNWZBRBSNZWXBQ-UKRRQHHQSA-N 1 3 232.371 2.412 20 0 BEADHO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCNC ZINC000581612322 367634771 /nfs/dbraw/zinc/63/47/71/367634771.db2.gz LVGZUFLGDTUUPD-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H](C)[C@H]1CCC[N@H+]1CCCNC ZINC000581612322 367634777 /nfs/dbraw/zinc/63/47/77/367634777.db2.gz LVGZUFLGDTUUPD-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO C[C@H](NC[C@@H]1CCCSC1)[C@@H]1CCCC[NH2+]1 ZINC000384095213 367672218 /nfs/dbraw/zinc/67/22/18/367672218.db2.gz CXYXMIGLJNMLMB-AVGNSLFASA-N 1 3 242.432 2.250 20 0 BEADHO CC/C=C/CNC1CC[NH+](C(C)C)CC1 ZINC000384834133 367738880 /nfs/dbraw/zinc/73/88/80/367738880.db2.gz HLNHQVLOAIORBG-AATRIKPKSA-N 1 3 210.365 2.415 20 0 BEADHO CC/C=C\CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000384866943 367746370 /nfs/dbraw/zinc/74/63/70/367746370.db2.gz NZEHXOUCVMZTQD-JIWOSTRHSA-N 1 3 210.365 2.271 20 0 BEADHO CC/C=C\CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000384866943 367746377 /nfs/dbraw/zinc/74/63/77/367746377.db2.gz NZEHXOUCVMZTQD-JIWOSTRHSA-N 1 3 210.365 2.271 20 0 BEADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000384971900 367767870 /nfs/dbraw/zinc/76/78/70/367767870.db2.gz TWDUZEPHNBJHFC-BZPMIXESSA-N 1 3 240.391 2.015 20 0 BEADHO [NH3+][C@@H]1CC[C@@H]2CN(C/C=C\c3ccccc3)C[C@@H]12 ZINC000385774193 367863371 /nfs/dbraw/zinc/86/33/71/367863371.db2.gz WEYFXHHMOUYZGT-ZLPVVSKCSA-N 1 3 242.366 2.369 20 0 BEADHO Cc1cc(CNC[C@H](C)C[NH3+])c(C)s1 ZINC000581773456 367824684 /nfs/dbraw/zinc/82/46/84/367824684.db2.gz AZKMQEXSLBNUTK-MRVPVSSYSA-N 1 3 212.362 2.049 20 0 BEADHO CC(C)C[C@@H](N)C[N@@H+]1CCSCC[C@@H]1C ZINC000385506792 367838359 /nfs/dbraw/zinc/83/83/59/367838359.db2.gz MKLRRJFWRCSFEE-NWDGAFQWSA-N 1 3 230.421 2.187 20 0 BEADHO CC(C)C[C@@H](N)C[N@H+]1CCSCC[C@@H]1C ZINC000385506792 367838364 /nfs/dbraw/zinc/83/83/64/367838364.db2.gz MKLRRJFWRCSFEE-NWDGAFQWSA-N 1 3 230.421 2.187 20 0 BEADHO C[C@@H]1C[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H]1C ZINC000386192127 367927659 /nfs/dbraw/zinc/92/76/59/367927659.db2.gz DPIMOTBVENEMIT-NDBYEHHHSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH2+]CCOC1CCCC1)[C@H]1CCCCN1 ZINC000386034195 367900345 /nfs/dbraw/zinc/90/03/45/367900345.db2.gz RKNZQEJVDZCUJZ-TZMCWYRMSA-N 1 3 240.391 2.066 20 0 BEADHO COCCC(C)(C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386468227 367978456 /nfs/dbraw/zinc/97/84/56/367978456.db2.gz QCCSVSIAFMCKPI-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO C(C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)CN1CCCC1 ZINC000252856337 368162769 /nfs/dbraw/zinc/16/27/69/368162769.db2.gz KSIKYLKAFLHYCY-BTTYYORXSA-N 1 3 222.376 2.108 20 0 BEADHO CN1CCCC[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000623656911 368995637 /nfs/dbraw/zinc/99/56/37/368995637.db2.gz FLDYARZZRAGUFB-CYBMUJFWSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1C[C@H]1C ZINC000623657270 368997786 /nfs/dbraw/zinc/99/77/86/368997786.db2.gz MNZNXGOUYWTIMB-MQYQWHSLSA-N 1 3 224.392 2.352 20 0 BEADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657781 368998974 /nfs/dbraw/zinc/99/89/74/368998974.db2.gz YXPRIKOCMUWOGH-STQMWFEESA-N 1 3 212.381 2.354 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]CC(C)(C)C)C1 ZINC000623656520 368992766 /nfs/dbraw/zinc/99/27/66/368992766.db2.gz VYVWTDRIHWTFJI-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000623656019 368993588 /nfs/dbraw/zinc/99/35/88/368993588.db2.gz LBWDAIHWDVZINL-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H](NCC(C1CC1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000400631315 369351835 /nfs/dbraw/zinc/35/18/35/369351835.db2.gz LTBKAWNRIMEAJT-HZMBPMFUSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+]CC(C1CC1)C1CC1)[C@@H]1CCCN1 ZINC000400631315 369351837 /nfs/dbraw/zinc/35/18/37/369351837.db2.gz LTBKAWNRIMEAJT-HZMBPMFUSA-N 1 3 222.376 2.153 20 0 BEADHO [NH3+][C@@H]1CCC[C@H](NCCOCC2CCCC2)C1 ZINC000313267551 326261149 /nfs/dbraw/zinc/26/11/49/326261149.db2.gz UILWAJQMDCEMIC-KGLIPLIRSA-N 1 3 240.391 2.053 20 0 BEADHO C[N@@H+]1CCC[C@H](CCNCc2ccco2)C1 ZINC000459731310 203345387 /nfs/dbraw/zinc/34/53/87/203345387.db2.gz LKRNUWPVKGHLLU-GFCCVEGCSA-N 1 3 222.332 2.101 20 0 BEADHO C[N@H+]1CCC[C@H](CCNCc2ccco2)C1 ZINC000459731310 203345388 /nfs/dbraw/zinc/34/53/88/203345388.db2.gz LKRNUWPVKGHLLU-GFCCVEGCSA-N 1 3 222.332 2.101 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000459737332 203346289 /nfs/dbraw/zinc/34/62/89/203346289.db2.gz QYFSBWACOJJVCO-KBPBESRZSA-N 1 3 247.386 2.464 20 0 BEADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccn1 ZINC000459737332 203346290 /nfs/dbraw/zinc/34/62/90/203346290.db2.gz QYFSBWACOJJVCO-KBPBESRZSA-N 1 3 247.386 2.464 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCCOCC2CCCC2)C1 ZINC000313267557 326261035 /nfs/dbraw/zinc/26/10/35/326261035.db2.gz UILWAJQMDCEMIC-UONOGXRCSA-N 1 3 240.391 2.053 20 0 BEADHO Cc1ncccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459738459 203350368 /nfs/dbraw/zinc/35/03/68/203350368.db2.gz RUAMNXNLQSRODL-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ncccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459738459 203350369 /nfs/dbraw/zinc/35/03/69/203350369.db2.gz RUAMNXNLQSRODL-CQSZACIVSA-N 1 3 247.386 2.212 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@@H](N)C[C@H]2C)c(C)c1 ZINC000631863373 369608399 /nfs/dbraw/zinc/60/83/99/369608399.db2.gz ZQCDIEMGBPORTE-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@@H](N)C[C@H]2C)c(C)c1 ZINC000631863373 369608402 /nfs/dbraw/zinc/60/84/02/369608402.db2.gz ZQCDIEMGBPORTE-OCCSQVGLSA-N 1 3 218.344 2.225 20 0 BEADHO Cc1cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])ccn1 ZINC000621776328 370524665 /nfs/dbraw/zinc/52/46/65/370524665.db2.gz JCDVDBSOLBTJKP-WFASDCNBSA-N 1 3 247.386 2.339 20 0 BEADHO [NH3+][C@]12CCC[C@@H]1CN(CCC1CCCC1)C2 ZINC000621781269 370529816 /nfs/dbraw/zinc/52/98/16/370529816.db2.gz BOANVBXGJBODHR-KGLIPLIRSA-N 1 3 222.376 2.380 20 0 BEADHO [NH3+][C@@]12CCC[C@H]1CN(CCC1CCCC1)C2 ZINC000621781270 370530345 /nfs/dbraw/zinc/53/03/45/370530345.db2.gz BOANVBXGJBODHR-UONOGXRCSA-N 1 3 222.376 2.380 20 0 BEADHO Cc1ccc(CC[N@@H+]2C[C@H]3CCC[C@]3(N)C2)cc1 ZINC000621782843 370531810 /nfs/dbraw/zinc/53/18/10/370531810.db2.gz TVGOQMRIPVEGAX-CVEARBPZSA-N 1 3 244.382 2.351 20 0 BEADHO Cc1ccc(CC[N@H+]2C[C@H]3CCC[C@]3(N)C2)cc1 ZINC000621782843 370531815 /nfs/dbraw/zinc/53/18/15/370531815.db2.gz TVGOQMRIPVEGAX-CVEARBPZSA-N 1 3 244.382 2.351 20 0 BEADHO C[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H]1CCCCO1 ZINC000623849202 371126050 /nfs/dbraw/zinc/12/60/50/371126050.db2.gz YWZXEZLSBUQCQM-OLZOCXBDSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CCC1 ZINC000624121366 371322866 /nfs/dbraw/zinc/32/28/66/371322866.db2.gz UTCUETFJAMOVIR-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624123197 371324440 /nfs/dbraw/zinc/32/44/40/371324440.db2.gz HSICNQFWVAIFLH-QWHCGFSZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)[C@H]1C ZINC000624124121 371324912 /nfs/dbraw/zinc/32/49/12/371324912.db2.gz XTDSHSXYNFRKQQ-RQJABVFESA-N 1 3 224.392 2.352 20 0 BEADHO CN1CCCC[C@@H](C[NH2+]C2CC(C)(C)C2)C1 ZINC000624123450 371325213 /nfs/dbraw/zinc/32/52/13/371325213.db2.gz MDTSSDGUHJLHKU-LBPRGKRZSA-N 1 3 224.392 2.497 20 0 BEADHO N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC000405376888 372156325 /nfs/dbraw/zinc/15/63/25/372156325.db2.gz BQCBAMXXVGRKBG-STQMWFEESA-N 1 3 216.328 2.046 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCc2ncccc21)CN(C)C ZINC000631629756 372469173 /nfs/dbraw/zinc/46/91/73/372469173.db2.gz DGZYRUYANXHKCY-DOMZBBRYSA-N 1 3 247.386 2.246 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000631829878 372613030 /nfs/dbraw/zinc/61/30/30/372613030.db2.gz CLTHGTRRPQQNHL-UTUOFQBUSA-N 1 3 244.329 2.235 20 0 BEADHO N[C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000631829878 372613033 /nfs/dbraw/zinc/61/30/33/372613033.db2.gz CLTHGTRRPQQNHL-UTUOFQBUSA-N 1 3 244.329 2.235 20 0 BEADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C[NH3+] ZINC000631837295 372626983 /nfs/dbraw/zinc/62/69/83/372626983.db2.gz ADCWMLSDGJHGNN-MLGOLLRUSA-N 1 3 244.382 2.202 20 0 BEADHO Cc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000631837643 372629876 /nfs/dbraw/zinc/62/98/76/372629876.db2.gz DMPVVFJVZVNNRC-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](CN)C2)cc1C ZINC000631837643 372629882 /nfs/dbraw/zinc/62/98/82/372629882.db2.gz DMPVVFJVZVNNRC-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1C ZINC000631837643 372629892 /nfs/dbraw/zinc/62/98/92/372629892.db2.gz DMPVVFJVZVNNRC-DZGCQCFKSA-N 1 3 232.371 2.330 20 0 BEADHO Cc1cc(C)c(CN[C@@H](C)CC[NH3+])c(C)c1 ZINC000220497247 134305838 /nfs/dbraw/zinc/30/58/38/134305838.db2.gz AHQYOXCXKVQSKI-ZDUSSCGKSA-N 1 3 220.360 2.439 20 0 BEADHO CC[N@@H+]1CC[C@@H](N(C)CCSC)C[C@H]1C ZINC000336652067 170009626 /nfs/dbraw/zinc/00/96/26/170009626.db2.gz WGKPKGOZMWTXRM-VXGBXAGGSA-N 1 3 230.421 2.154 20 0 BEADHO CC[N@H+]1CC[C@@H](N(C)CCSC)C[C@H]1C ZINC000336652067 170009628 /nfs/dbraw/zinc/00/96/28/170009628.db2.gz WGKPKGOZMWTXRM-VXGBXAGGSA-N 1 3 230.421 2.154 20 0 BEADHO CCc1cccc(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000420307791 206024346 /nfs/dbraw/zinc/02/43/46/206024346.db2.gz CLLGXNGOGBVXLF-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1cccc(C[N@@H+]2CC[C@@](C)(CN)C2)c1 ZINC000420307791 206024351 /nfs/dbraw/zinc/02/43/51/206024351.db2.gz CLLGXNGOGBVXLF-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1cccc(C[N@H+]2CC[C@@](C)(CN)C2)c1 ZINC000420307791 206024356 /nfs/dbraw/zinc/02/43/56/206024356.db2.gz CLLGXNGOGBVXLF-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCC[NH+](CCC)CCCNC(C)C ZINC000037480267 169147553 /nfs/dbraw/zinc/14/75/53/169147553.db2.gz USJJEJCBWVYONT-UHFFFAOYSA-N 1 3 200.370 2.497 20 0 BEADHO CCCN(CCC)CCC[NH2+]C(C)C ZINC000037480267 169147555 /nfs/dbraw/zinc/14/75/55/169147555.db2.gz USJJEJCBWVYONT-UHFFFAOYSA-N 1 3 200.370 2.497 20 0 BEADHO CCCN1CCC([NH2+]Cc2cccnc2)CC1 ZINC000020140625 169188565 /nfs/dbraw/zinc/18/85/65/169188565.db2.gz VDQJQXFPXLYPIV-UHFFFAOYSA-N 1 3 233.359 2.046 20 0 BEADHO c1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000063197525 183339602 /nfs/dbraw/zinc/33/96/02/183339602.db2.gz UUDLRRBVNVORNL-HNNXBMFYSA-N 1 3 245.370 2.046 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C2CC(CC)C2)C1 ZINC000336779299 169206703 /nfs/dbraw/zinc/20/67/03/169206703.db2.gz NWVPPYRPJVSWCT-ROKHWSDSSA-N 1 3 224.392 2.497 20 0 BEADHO CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099397 1172521816 /nfs/dbraw/zinc/52/18/16/1172521816.db2.gz PICIYNDEBMLFQJ-SYQHCUMBSA-N 1 3 224.392 2.305 20 0 BEADHO CC[C@@H](C)[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001644099397 1172521819 /nfs/dbraw/zinc/52/18/19/1172521819.db2.gz PICIYNDEBMLFQJ-SYQHCUMBSA-N 1 3 224.392 2.305 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224117918 134341844 /nfs/dbraw/zinc/34/18/44/134341844.db2.gz CTXGMSAWONUCHY-KXUCPTDWSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@H](CC(F)(F)F)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224117918 134341845 /nfs/dbraw/zinc/34/18/45/134341845.db2.gz CTXGMSAWONUCHY-KXUCPTDWSA-N 1 3 238.297 2.400 20 0 BEADHO C[C@H](C[NH2+]C[C@H]1CCSC1)CN1CCCC1 ZINC000224420494 134347091 /nfs/dbraw/zinc/34/70/91/134347091.db2.gz QLSQJDHRDHJLOA-CHWSQXEVSA-N 1 3 242.432 2.061 20 0 BEADHO Cc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000401109881 383933893 /nfs/dbraw/zinc/93/38/93/383933893.db2.gz GXLWTLVBTGYFQI-JHJVBQTASA-N 1 3 234.343 2.066 20 0 BEADHO CCc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000037248648 383965215 /nfs/dbraw/zinc/96/52/15/383965215.db2.gz BSPHVLMYUIDVTP-UHFFFAOYSA-N 1 3 232.371 2.433 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCCNC1 ZINC000643545147 384009408 /nfs/dbraw/zinc/00/94/08/384009408.db2.gz FUIVVCCBSVDPHV-NWDGAFQWSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCCNC1 ZINC000643545148 384009753 /nfs/dbraw/zinc/00/97/53/384009753.db2.gz FUIVVCCBSVDPHV-RYUDHWBXSA-N 1 3 238.400 2.411 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1 ZINC000073653777 384029425 /nfs/dbraw/zinc/02/94/25/384029425.db2.gz IOHGIIBXOUYHLW-JSGCOSHPSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1 ZINC000073653777 384029429 /nfs/dbraw/zinc/02/94/29/384029429.db2.gz IOHGIIBXOUYHLW-JSGCOSHPSA-N 1 3 218.344 2.116 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643547398 384033813 /nfs/dbraw/zinc/03/38/13/384033813.db2.gz DTWINHLYJVGBFH-OCCSQVGLSA-N 1 3 248.370 2.475 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643547398 384033815 /nfs/dbraw/zinc/03/38/15/384033815.db2.gz DTWINHLYJVGBFH-OCCSQVGLSA-N 1 3 248.370 2.475 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@H]1C ZINC000643548787 384039000 /nfs/dbraw/zinc/03/90/00/384039000.db2.gz VEQKJTLVHHFPMI-VOAKCMCISA-N 1 3 222.376 2.295 20 0 BEADHO CCCCN1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000090994683 384089021 /nfs/dbraw/zinc/08/90/21/384089021.db2.gz BVPXUPWHEHJDEN-UHFFFAOYSA-N 1 3 235.375 2.369 20 0 BEADHO CC[C@@H]1CN(C[C@@H]2CCC(F)(F)C2)CC[C@H]1[NH3+] ZINC000302380963 384155841 /nfs/dbraw/zinc/15/58/41/384155841.db2.gz IGZVMKUIJDWMAZ-IJLUTSLNSA-N 1 3 246.345 2.481 20 0 BEADHO Cc1ccsc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000122725815 384162817 /nfs/dbraw/zinc/16/28/17/384162817.db2.gz LMTAIAIPRNSLKO-NWDGAFQWSA-N 1 3 238.400 2.486 20 0 BEADHO Cc1ccsc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000122725815 384162820 /nfs/dbraw/zinc/16/28/20/384162820.db2.gz LMTAIAIPRNSLKO-NWDGAFQWSA-N 1 3 238.400 2.486 20 0 BEADHO CC[C@@H]1C[N@H+](CC2(OC)CCCC2)CC[C@H]1N ZINC000319456329 384249341 /nfs/dbraw/zinc/24/93/41/384249341.db2.gz OCXSXEAPRMUKQX-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CC[C@@H]1C[N@@H+](CC2(OC)CCCC2)CC[C@H]1N ZINC000319456329 384249347 /nfs/dbraw/zinc/24/93/47/384249347.db2.gz OCXSXEAPRMUKQX-CHWSQXEVSA-N 1 3 240.391 2.005 20 0 BEADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000558700117 384252283 /nfs/dbraw/zinc/25/22/83/384252283.db2.gz PJECVSPMODDHMB-BYNSBNAKSA-N 1 3 236.403 2.497 20 0 BEADHO CC[C@](C)(C[NH2+]C[C@@H](C)CN1CCCC1)OC ZINC000319536619 384253087 /nfs/dbraw/zinc/25/30/87/384253087.db2.gz AXNBFQLWKBSQPC-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC[C@](C)(CNC[C@@H](C)C[NH+]1CCCC1)OC ZINC000319536619 384253088 /nfs/dbraw/zinc/25/30/88/384253088.db2.gz AXNBFQLWKBSQPC-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO CC(C)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000319502732 384257256 /nfs/dbraw/zinc/25/72/56/384257256.db2.gz JEDBJFRVNMTNAK-NWDGAFQWSA-N 1 3 210.365 2.295 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CCCSC)C1 ZINC000174215604 384306809 /nfs/dbraw/zinc/30/68/09/384306809.db2.gz YQLDJDBBVBVYGW-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CCCSC)C1 ZINC000174215604 384306813 /nfs/dbraw/zinc/30/68/13/384306813.db2.gz YQLDJDBBVBVYGW-CYBMUJFWSA-N 1 3 244.448 2.403 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000119518661 384279788 /nfs/dbraw/zinc/27/97/88/384279788.db2.gz XZHWNNRZIWAMPW-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)CCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000119518661 384279796 /nfs/dbraw/zinc/27/97/96/384279796.db2.gz XZHWNNRZIWAMPW-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H]1C[C@@H]1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000159041885 384297723 /nfs/dbraw/zinc/29/77/23/384297723.db2.gz FCODEVGEWKTVMJ-QWHCGFSZSA-N 1 3 245.370 2.296 20 0 BEADHO CCCCOCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397338385 384299196 /nfs/dbraw/zinc/29/91/96/384299196.db2.gz ZAYQNTLECAVDDW-MJBXVCDLSA-N 1 3 242.407 2.108 20 0 BEADHO CCCCOCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397338383 384299323 /nfs/dbraw/zinc/29/93/23/384299323.db2.gz ZAYQNTLECAVDDW-IHRRRGAJSA-N 1 3 242.407 2.108 20 0 BEADHO CCN(CC)CCC[NH2+]CC1(SC)CC1 ZINC000308836476 384339012 /nfs/dbraw/zinc/33/90/12/384339012.db2.gz WOLHNFPNWYVYEF-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO CC[NH+](CC)CCCNCC1(SC)CC1 ZINC000308836476 384339020 /nfs/dbraw/zinc/33/90/20/384339020.db2.gz WOLHNFPNWYVYEF-UHFFFAOYSA-N 1 3 230.421 2.204 20 0 BEADHO C/C=C/CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384731854 384362219 /nfs/dbraw/zinc/36/22/19/384362219.db2.gz JVAYRUGJWSTPJC-HNFMAKEJSA-N 1 3 210.365 2.463 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCCN[C@@H]2C)s1 ZINC000335641803 384414298 /nfs/dbraw/zinc/41/42/98/384414298.db2.gz FBOMCOGRGQHBHH-ZYHUDNBSSA-N 1 3 224.373 2.287 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCCN[C@@H]2C)s1 ZINC000335641802 384414534 /nfs/dbraw/zinc/41/45/34/384414534.db2.gz FBOMCOGRGQHBHH-PWSUYJOCSA-N 1 3 224.373 2.287 20 0 BEADHO C[NH+]1CCC(N[C@@H]2CCc3c2cccc3F)CC1 ZINC000147771516 384452818 /nfs/dbraw/zinc/45/28/18/384452818.db2.gz SGEDPJKSXXHIOC-OAHLLOKOSA-N 1 3 248.345 2.497 20 0 BEADHO N[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000305898091 384428852 /nfs/dbraw/zinc/42/88/52/384428852.db2.gz SUYAMRCBBBDFJJ-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO N[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000305898091 384428857 /nfs/dbraw/zinc/42/88/57/384428857.db2.gz SUYAMRCBBBDFJJ-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229214993 384461873 /nfs/dbraw/zinc/46/18/73/384461873.db2.gz YNTCHCNKBTXALB-CHWSQXEVSA-N 1 3 242.432 2.237 20 0 BEADHO CC(C)[NH+]1CCC(NCCc2ccncc2)CC1 ZINC000048261215 384483280 /nfs/dbraw/zinc/48/32/80/384483280.db2.gz QVVRFKCSTDCBAG-UHFFFAOYSA-N 1 3 247.386 2.087 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000172197681 384546994 /nfs/dbraw/zinc/54/69/94/384546994.db2.gz LGNCCCZDXBVFCK-OAHLLOKOSA-N 1 3 232.371 2.379 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000172197681 384547002 /nfs/dbraw/zinc/54/70/02/384547002.db2.gz LGNCCCZDXBVFCK-OAHLLOKOSA-N 1 3 232.371 2.379 20 0 BEADHO CN(C)CC(C)(C)C[NH2+]Cc1cccs1 ZINC000019905713 384555245 /nfs/dbraw/zinc/55/52/45/384555245.db2.gz NLGCDEUFDXPHLI-UHFFFAOYSA-N 1 3 226.389 2.426 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CCOC1 ZINC000222817221 384608129 /nfs/dbraw/zinc/60/81/29/384608129.db2.gz MUOOIXVAXABZBU-RBDSIQFVSA-N 1 3 246.354 2.146 20 0 BEADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000300831785 384598449 /nfs/dbraw/zinc/59/84/49/384598449.db2.gz CCWIQMWOKXTLTP-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000300831785 384598456 /nfs/dbraw/zinc/59/84/56/384598456.db2.gz CCWIQMWOKXTLTP-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000300831785 384598461 /nfs/dbraw/zinc/59/84/61/384598461.db2.gz CCWIQMWOKXTLTP-AVGNSLFASA-N 1 3 212.381 2.338 20 0 BEADHO C[C@H](CN)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000556932275 384663355 /nfs/dbraw/zinc/66/33/55/384663355.db2.gz NEOSOOUHKHOTIB-VXGBXAGGSA-N 1 3 212.381 2.387 20 0 BEADHO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCNC ZINC000309852656 384670419 /nfs/dbraw/zinc/67/04/19/384670419.db2.gz YQEKRGJPOBHMKI-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO CCC[C@H]1[C@H](C)CCC[N@H+]1CCCNC ZINC000309852656 384670426 /nfs/dbraw/zinc/67/04/26/384670426.db2.gz YQEKRGJPOBHMKI-OLZOCXBDSA-N 1 3 212.381 2.497 20 0 BEADHO c1ccc([C@@H]2CC[N@@H+](C3CCNCC3)C2)cc1 ZINC000050599380 384636330 /nfs/dbraw/zinc/63/63/30/384636330.db2.gz DMIAJSIFTOLYMV-CQSZACIVSA-N 1 3 230.355 2.228 20 0 BEADHO c1ccc([C@@H]2CC[N@H+](C3CCNCC3)C2)cc1 ZINC000050599380 384636337 /nfs/dbraw/zinc/63/63/37/384636337.db2.gz DMIAJSIFTOLYMV-CQSZACIVSA-N 1 3 230.355 2.228 20 0 BEADHO c1ccc([C@@H]2CCN(C3CC[NH2+]CC3)C2)cc1 ZINC000050599380 384636343 /nfs/dbraw/zinc/63/63/43/384636343.db2.gz DMIAJSIFTOLYMV-CQSZACIVSA-N 1 3 230.355 2.228 20 0 BEADHO CN1CC=C(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000271809416 384647361 /nfs/dbraw/zinc/64/73/61/384647361.db2.gz KQHDQUCDKQEUKN-CYBMUJFWSA-N 1 3 220.360 2.194 20 0 BEADHO CC[C@@H](C)C[N@H+](CC)C[C@@H]1CCCNC1 ZINC000086437718 384649631 /nfs/dbraw/zinc/64/96/31/384649631.db2.gz LYOJSVUYWGMXOV-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CCCNC1 ZINC000086437718 384649645 /nfs/dbraw/zinc/64/96/45/384649645.db2.gz LYOJSVUYWGMXOV-CHWSQXEVSA-N 1 3 212.381 2.354 20 0 BEADHO COc1ccc(C[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271888082 384653241 /nfs/dbraw/zinc/65/32/41/384653241.db2.gz NVEKIIHLMPDRHK-UHFFFAOYSA-N 1 3 246.354 2.047 20 0 BEADHO Cc1ccccc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000044535116 384657956 /nfs/dbraw/zinc/65/79/56/384657956.db2.gz SCBSJXNDMCUQFA-AWEZNQCLSA-N 1 3 232.371 2.426 20 0 BEADHO Cc1ccccc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000044535116 384657958 /nfs/dbraw/zinc/65/79/58/384657958.db2.gz SCBSJXNDMCUQFA-AWEZNQCLSA-N 1 3 232.371 2.426 20 0 BEADHO CCCC1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000086729389 384679497 /nfs/dbraw/zinc/67/94/97/384679497.db2.gz BCLWNNAYYYPSCV-WXRRBKDZSA-N 1 3 210.365 2.297 20 0 BEADHO CC(F)(F)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000357716677 384683626 /nfs/dbraw/zinc/68/36/26/384683626.db2.gz OWQBZLCFGJGDKC-ZJUUUORDSA-N 1 3 220.307 2.139 20 0 BEADHO Cc1ccc(CC[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000124936097 384687085 /nfs/dbraw/zinc/68/70/85/384687085.db2.gz XZJIDXHVOLHLAT-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1ccc(CC[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000124936097 384687097 /nfs/dbraw/zinc/68/70/97/384687097.db2.gz XZJIDXHVOLHLAT-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO Cc1ccc(CCN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000124936097 384687104 /nfs/dbraw/zinc/68/71/04/384687104.db2.gz XZJIDXHVOLHLAT-INIZCTEOSA-N 1 3 246.398 2.421 20 0 BEADHO CC(C)N1CCC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000125014216 384690014 /nfs/dbraw/zinc/69/00/14/384690014.db2.gz VNBPPOWUMQAXHP-AWEZNQCLSA-N 1 3 249.402 2.235 20 0 BEADHO [NH3+]C[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011888465 384705547 /nfs/dbraw/zinc/70/55/47/384705547.db2.gz TYMOOFGSAIJCFV-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011888465 384705552 /nfs/dbraw/zinc/70/55/52/384705552.db2.gz TYMOOFGSAIJCFV-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO NC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011888465 384705555 /nfs/dbraw/zinc/70/55/55/384705555.db2.gz TYMOOFGSAIJCFV-OAHLLOKOSA-N 1 3 232.371 2.290 20 0 BEADHO CN(C[C@H]1CCCC(F)(F)C1)C1CC([NH3+])C1 ZINC000336233397 384825254 /nfs/dbraw/zinc/82/52/54/384825254.db2.gz FTNBYQQWCOAXLT-WHXUTIOJSA-N 1 3 232.318 2.233 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000423360604 384835811 /nfs/dbraw/zinc/83/58/11/384835811.db2.gz FWOKTAAENASYJF-ZOBORPQBSA-N 1 3 222.376 2.425 20 0 BEADHO Cc1cc(C)cc(CN(C)CCC[NH3+])c1 ZINC000038076701 384785890 /nfs/dbraw/zinc/78/58/90/384785890.db2.gz FABCOFJIFXQTGM-UHFFFAOYSA-N 1 3 206.333 2.084 20 0 BEADHO Cc1cnc(CN[C@H](C)CCCC[NH3+])s1 ZINC000379893212 384801449 /nfs/dbraw/zinc/80/14/49/384801449.db2.gz FYJBHUIGQCVXEE-SECBINFHSA-N 1 3 227.377 2.059 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000564826475 384804082 /nfs/dbraw/zinc/80/40/82/384804082.db2.gz PUBIMJFDICXKJZ-AAEUAGOBSA-N 1 3 224.392 2.400 20 0 BEADHO CCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000042491302 384807609 /nfs/dbraw/zinc/80/76/09/384807609.db2.gz ZZJAGAYGIBTLPM-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO CCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000042491302 384807612 /nfs/dbraw/zinc/80/76/12/384807612.db2.gz ZZJAGAYGIBTLPM-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO CCCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000042491302 384807618 /nfs/dbraw/zinc/80/76/18/384807618.db2.gz ZZJAGAYGIBTLPM-GFCCVEGCSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](N)c3ccccc32)O1 ZINC000398210640 384846239 /nfs/dbraw/zinc/84/62/39/384846239.db2.gz JIZISKGBRVKOKZ-FIXIBIHLSA-N 1 3 246.354 2.288 20 0 BEADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(CO)c1 ZINC000423376898 384849672 /nfs/dbraw/zinc/84/96/72/384849672.db2.gz JFWWSVNWHWOYPO-CQDKDKBSSA-N 1 3 248.370 2.099 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423409070 384856344 /nfs/dbraw/zinc/85/63/44/384856344.db2.gz YMOGHPJDXQAMEX-RVMXOQNASA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H](CC[NH2+][C@@H]1CO[C@H](C)C1)N1CCCCC1 ZINC000647201084 384889127 /nfs/dbraw/zinc/88/91/27/384889127.db2.gz ZUDQYYNJNXVMLR-MJBXVCDLSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1cccc(CCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000258956167 384955077 /nfs/dbraw/zinc/95/50/77/384955077.db2.gz KTCDBUYOWJEIHJ-KGLIPLIRSA-N 1 3 218.344 2.007 20 0 BEADHO Cc1cccc(CCN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000258956171 384957180 /nfs/dbraw/zinc/95/71/80/384957180.db2.gz KTCDBUYOWJEIHJ-ZIAGYGMSSA-N 1 3 218.344 2.007 20 0 BEADHO COc1ccc(CCN2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707596 384898427 /nfs/dbraw/zinc/89/84/27/384898427.db2.gz XRWCGEOGVYZXEM-JSGCOSHPSA-N 1 3 248.370 2.049 20 0 BEADHO CC[NH2+]CC1CCN(Cc2ccc(C)cn2)CC1 ZINC000156608262 384904661 /nfs/dbraw/zinc/90/46/61/384904661.db2.gz JYDXFPKTVWKLON-UHFFFAOYSA-N 1 3 247.386 2.212 20 0 BEADHO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000259266024 384958835 /nfs/dbraw/zinc/95/88/35/384958835.db2.gz ZLAUJSBLFKBHFV-ZIAGYGMSSA-N 1 3 234.343 2.055 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)CN(C)C ZINC000310254471 384926769 /nfs/dbraw/zinc/92/67/69/384926769.db2.gz OWADLSAUFKUFKO-NEPJUHHUSA-N 1 3 242.407 2.120 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)CN(C)C ZINC000310254472 384927914 /nfs/dbraw/zinc/92/79/14/384927914.db2.gz OWADLSAUFKUFKO-NWDGAFQWSA-N 1 3 242.407 2.120 20 0 BEADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1c[nH]c2ccccc12 ZINC000258898317 384944354 /nfs/dbraw/zinc/94/43/54/384944354.db2.gz GDJRKYOWSKPSSZ-HIFRSBDPSA-N 1 3 243.354 2.180 20 0 BEADHO Cc1cc(C)c(C[NH2+]CC(C)(C)N)c(C)c1 ZINC000258766503 384945225 /nfs/dbraw/zinc/94/52/25/384945225.db2.gz HMNVFITZZGRDTP-UHFFFAOYSA-N 1 3 220.360 2.439 20 0 BEADHO Cc1ccc(C[NH2+]CC(C)(C)N)c(C)c1 ZINC000258878719 384948316 /nfs/dbraw/zinc/94/83/16/384948316.db2.gz PYFQUSFRZNYGOK-UHFFFAOYSA-N 1 3 206.333 2.130 20 0 BEADHO C[NH+](C)CCCC(C)(C)NCc1ccns1 ZINC000404433096 384991113 /nfs/dbraw/zinc/99/11/13/384991113.db2.gz AJLFOUXCPGFKGY-UHFFFAOYSA-N 1 3 241.404 2.353 20 0 BEADHO NCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312983563 385016286 /nfs/dbraw/zinc/01/62/86/385016286.db2.gz DVVRWYOBPLYQHI-GFCCVEGCSA-N 1 3 210.365 2.428 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000226435036 385019729 /nfs/dbraw/zinc/01/97/29/385019729.db2.gz XDURAUDPZJQLCS-SYQHCUMBSA-N 1 3 224.392 2.399 20 0 BEADHO CO[C@@H](C)[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000128532728 385047984 /nfs/dbraw/zinc/04/79/84/385047984.db2.gz YETHDJPOROILNJ-MNOVXSKESA-N 1 3 242.407 2.309 20 0 BEADHO CO[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000128532728 385047986 /nfs/dbraw/zinc/04/79/86/385047986.db2.gz YETHDJPOROILNJ-MNOVXSKESA-N 1 3 242.407 2.309 20 0 BEADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404775711 385056523 /nfs/dbraw/zinc/05/65/23/385056523.db2.gz SNKSFQUUZOKWEO-QWHCGFSZSA-N 1 3 218.344 2.210 20 0 BEADHO CC(C)[C@@H]1CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423567887 385029418 /nfs/dbraw/zinc/02/94/18/385029418.db2.gz VGLMBZKCAPEEFQ-AVGNSLFASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1Cc2ccccc2[C@H]1NCCC[NH+](C)C ZINC000151927022 385141101 /nfs/dbraw/zinc/14/11/01/385141101.db2.gz JWNOBWXTIOWJET-DOMZBBRYSA-N 1 3 232.371 2.461 20 0 BEADHO CC(C)N(C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540422 385158308 /nfs/dbraw/zinc/15/83/08/385158308.db2.gz JUSCZQKTPWFNLG-HUUCEWRRSA-N 1 3 247.386 2.061 20 0 BEADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCN ZINC000308851068 385221685 /nfs/dbraw/zinc/22/16/85/385221685.db2.gz RGWMNOWTMHRVHI-VXGBXAGGSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1CN ZINC000164652215 385224021 /nfs/dbraw/zinc/22/40/21/385224021.db2.gz HTQOJEGDNHYITG-YPMHNXCESA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1CN ZINC000164652215 385224023 /nfs/dbraw/zinc/22/40/23/385224023.db2.gz HTQOJEGDNHYITG-YPMHNXCESA-N 1 3 210.365 2.093 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000228064149 385323947 /nfs/dbraw/zinc/32/39/47/385323947.db2.gz XERLLWGCXCOUPZ-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](CN)C[C@H]2C)cc1C ZINC000228064149 385323950 /nfs/dbraw/zinc/32/39/50/385323950.db2.gz XERLLWGCXCOUPZ-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](CN)C[C@H]2C)cc1C ZINC000228064149 385323952 /nfs/dbraw/zinc/32/39/52/385323952.db2.gz XERLLWGCXCOUPZ-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@@H](NCCCC[NH3+])c1ccc(F)cc1F ZINC000037714961 385309774 /nfs/dbraw/zinc/30/97/74/385309774.db2.gz DCEXBPAWNYUVMP-SECBINFHSA-N 1 3 228.286 2.354 20 0 BEADHO CN1CC=C(C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000308950227 385312133 /nfs/dbraw/zinc/31/21/33/385312133.db2.gz OWUPLNSRBKJBKC-LBPRGKRZSA-N 1 3 208.349 2.027 20 0 BEADHO [NH3+]C[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000065461366 385314768 /nfs/dbraw/zinc/31/47/68/385314768.db2.gz OFQDAAAUSJUOQN-GFCCVEGCSA-N 1 3 241.338 2.015 20 0 BEADHO CC(C)N(C)CCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000308967761 385317895 /nfs/dbraw/zinc/31/78/95/385317895.db2.gz NORCMGYZHGIBCI-NWDGAFQWSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@H+](C)CCCN[C@@H]1CSC[C@@H]1C ZINC000308967761 385317899 /nfs/dbraw/zinc/31/78/99/385317899.db2.gz NORCMGYZHGIBCI-NWDGAFQWSA-N 1 3 230.421 2.058 20 0 BEADHO CC(C)[N@@H+](C)CCCN[C@@H]1CSC[C@@H]1C ZINC000308967761 385317901 /nfs/dbraw/zinc/31/79/01/385317901.db2.gz NORCMGYZHGIBCI-NWDGAFQWSA-N 1 3 230.421 2.058 20 0 BEADHO Cc1ccc(C[N@H+]2C[C@H](CN)C[C@H]2C)c(C)c1 ZINC000228065131 385325330 /nfs/dbraw/zinc/32/53/30/385325330.db2.gz GZXLNDPIBQVYBH-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(C[N@@H+]2C[C@H](CN)C[C@H]2C)c(C)c1 ZINC000228065131 385325336 /nfs/dbraw/zinc/32/53/36/385325336.db2.gz GZXLNDPIBQVYBH-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO Cc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000228065131 385325339 /nfs/dbraw/zinc/32/53/39/385325339.db2.gz GZXLNDPIBQVYBH-KGLIPLIRSA-N 1 3 232.371 2.473 20 0 BEADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCCC1 ZINC000394611653 385418362 /nfs/dbraw/zinc/41/83/62/385418362.db2.gz HZTJQJSNBCGMRO-GASCZTMLSA-N 1 3 236.403 2.498 20 0 BEADHO CCC(CC)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422863272 385464497 /nfs/dbraw/zinc/46/44/97/385464497.db2.gz RNXPPDVLBYQAGJ-AAEUAGOBSA-N 1 3 212.381 2.400 20 0 BEADHO COC(C)(C)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000302509840 385534515 /nfs/dbraw/zinc/53/45/15/385534515.db2.gz VCUVECROUXEYJS-RWMBFGLXSA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000302509840 385534516 /nfs/dbraw/zinc/53/45/16/385534516.db2.gz VCUVECROUXEYJS-RWMBFGLXSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)CN ZINC000309341400 385541265 /nfs/dbraw/zinc/54/12/65/385541265.db2.gz LCRHFOHXBPTHBA-QWHCGFSZSA-N 1 3 220.360 2.192 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)[C@H]1C ZINC000309352608 385544038 /nfs/dbraw/zinc/54/40/38/385544038.db2.gz NJVAMISZMJEZFW-ITGHMWBKSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1C ZINC000309352608 385544042 /nfs/dbraw/zinc/54/40/42/385544042.db2.gz NJVAMISZMJEZFW-ITGHMWBKSA-N 1 3 222.376 2.247 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1C ZINC000309352608 385544045 /nfs/dbraw/zinc/54/40/45/385544045.db2.gz NJVAMISZMJEZFW-ITGHMWBKSA-N 1 3 222.376 2.247 20 0 BEADHO Cc1c[nH+]ccc1N[C@@H]1CCCN(C)[C@H]1C ZINC000309375703 385555916 /nfs/dbraw/zinc/55/59/16/385555916.db2.gz COWGXTJESPAESA-WCQYABFASA-N 1 3 219.332 2.285 20 0 BEADHO CCSCC[NH2+]C[C@H](C)CN1CCCCC1 ZINC000309409118 385572615 /nfs/dbraw/zinc/57/26/15/385572615.db2.gz BMKRBKZJGZKVNS-ZDUSSCGKSA-N 1 3 244.448 2.451 20 0 BEADHO CCSCCNC[C@H](C)C[NH+]1CCCCC1 ZINC000309409118 385572616 /nfs/dbraw/zinc/57/26/16/385572616.db2.gz BMKRBKZJGZKVNS-ZDUSSCGKSA-N 1 3 244.448 2.451 20 0 BEADHO c1ccc([C@H]([NH2+]C2CCNCC2)C2CC2)cc1 ZINC000038041212 385599514 /nfs/dbraw/zinc/59/95/14/385599514.db2.gz SEYBDHBWNKXQIL-HNNXBMFYSA-N 1 3 230.355 2.479 20 0 BEADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccccc1 ZINC000107785207 385584370 /nfs/dbraw/zinc/58/43/70/385584370.db2.gz YPCNYXVGEVQRDO-DGCLKSJQSA-N 1 3 206.333 2.321 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccccc1C ZINC000414848358 385614719 /nfs/dbraw/zinc/61/47/19/385614719.db2.gz WUSYOGZZOSGAHC-GXTWGEPZSA-N 1 3 234.387 2.371 20 0 BEADHO CNC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1C ZINC000414848358 385614723 /nfs/dbraw/zinc/61/47/23/385614723.db2.gz WUSYOGZZOSGAHC-GXTWGEPZSA-N 1 3 234.387 2.371 20 0 BEADHO C1CCC2(C1)CCC[C@H]2[NH2+]C1CCNCC1 ZINC000335452730 385650987 /nfs/dbraw/zinc/65/09/87/385650987.db2.gz RKOABOJARSXNJA-CYBMUJFWSA-N 1 3 222.376 2.441 20 0 BEADHO Cc1csc(CNCCC[C@@H]2CCC[NH2+]2)n1 ZINC000336686138 385698120 /nfs/dbraw/zinc/69/81/20/385698120.db2.gz UMXGIPUPCODKIT-LLVKDONJSA-N 1 3 239.388 2.073 20 0 BEADHO CCCC[C@@H](COC)N[C@@H](C[NH3+])CC(C)C ZINC000414856406 385711289 /nfs/dbraw/zinc/71/12/89/385711289.db2.gz YXUULHHYEOLDFX-QWHCGFSZSA-N 1 3 230.396 2.155 20 0 BEADHO CCCC[C@H](COC)N[C@@H](C[NH3+])CC(C)C ZINC000414856404 385711759 /nfs/dbraw/zinc/71/17/59/385711759.db2.gz YXUULHHYEOLDFX-CHWSQXEVSA-N 1 3 230.396 2.155 20 0 BEADHO C[C@H](C[NH3+])CNCc1ccc(C(F)(F)F)cc1 ZINC000336691042 385727541 /nfs/dbraw/zinc/72/75/41/385727541.db2.gz HLSBAXFOWOYFTF-SECBINFHSA-N 1 3 246.276 2.390 20 0 BEADHO CNCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414858949 385734284 /nfs/dbraw/zinc/73/42/84/385734284.db2.gz LQUDVNLADCUDAO-NXEZZACHSA-N 1 3 238.297 2.307 20 0 BEADHO C[NH2+]CCCNCCSCc1ccccc1 ZINC000414858666 385736480 /nfs/dbraw/zinc/73/64/80/385736480.db2.gz KLQHPUXROSMDDD-UHFFFAOYSA-N 1 3 238.400 2.119 20 0 BEADHO CNCCC[NH2+]CCSCc1ccccc1 ZINC000414858666 385736482 /nfs/dbraw/zinc/73/64/82/385736482.db2.gz KLQHPUXROSMDDD-UHFFFAOYSA-N 1 3 238.400 2.119 20 0 BEADHO CC[C@H]1CCC[C@@H](C[NH2+]CCCNC)C1 ZINC000414859805 385738652 /nfs/dbraw/zinc/73/86/52/385738652.db2.gz NXECSKXEWXHLQI-QWHCGFSZSA-N 1 3 212.381 2.402 20 0 BEADHO CNCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000414861668 385751430 /nfs/dbraw/zinc/75/14/30/385751430.db2.gz SSHMKSQTACKNKQ-QWHCGFSZSA-N 1 3 220.360 2.378 20 0 BEADHO C[NH2+]CCCN[C@H](C)[C@H](C)c1ccccc1 ZINC000414861668 385751436 /nfs/dbraw/zinc/75/14/36/385751436.db2.gz SSHMKSQTACKNKQ-QWHCGFSZSA-N 1 3 220.360 2.378 20 0 BEADHO C([NH2+][C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCNC1 ZINC000414863897 385762310 /nfs/dbraw/zinc/76/23/10/385762310.db2.gz YKTLSCUCRXOUMG-MRVWCRGKSA-N 1 3 222.376 2.154 20 0 BEADHO C[N@H+](CCCCCF)[C@H]1CCCNCC1 ZINC000336704295 385784216 /nfs/dbraw/zinc/78/42/16/385784216.db2.gz QPMJZPPZNHRMEG-LBPRGKRZSA-N 1 3 216.344 2.200 20 0 BEADHO C[N@@H+](CCCCCF)[C@H]1CCCNCC1 ZINC000336704295 385784219 /nfs/dbraw/zinc/78/42/19/385784219.db2.gz QPMJZPPZNHRMEG-LBPRGKRZSA-N 1 3 216.344 2.200 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CCN1 ZINC000414947436 385802876 /nfs/dbraw/zinc/80/28/76/385802876.db2.gz KVBFWHLEHRSJIX-UHOFOFEASA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CCc3ccccc3C2)CC[NH2+]1 ZINC000414947436 385802881 /nfs/dbraw/zinc/80/28/81/385802881.db2.gz KVBFWHLEHRSJIX-UHOFOFEASA-N 1 3 244.382 2.274 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)CN(C)C ZINC000336713369 385806404 /nfs/dbraw/zinc/80/64/04/385806404.db2.gz VLRRGEPZQAKKME-NWDGAFQWSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)CC(F)F ZINC000647800559 385807453 /nfs/dbraw/zinc/80/74/53/385807453.db2.gz FGYWEMBRTHSLFL-GMTAPVOTSA-N 1 3 234.334 2.398 20 0 BEADHO Cc1ccncc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271869224 385857547 /nfs/dbraw/zinc/85/75/47/385857547.db2.gz MGJIZVSSHZHGNS-CYBMUJFWSA-N 1 3 245.370 2.303 20 0 BEADHO Cc1ccncc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271869224 385857551 /nfs/dbraw/zinc/85/75/51/385857551.db2.gz MGJIZVSSHZHGNS-CYBMUJFWSA-N 1 3 245.370 2.303 20 0 BEADHO CC[C@@H](C[N@H+](C)CC[C@H]1CCCCN1C)OC ZINC000412977221 385823269 /nfs/dbraw/zinc/82/32/69/385823269.db2.gz LBLIFVUXXYPOTP-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@H](C[N@@H+](C)CC[C@H]1CCCCN1C)OC ZINC000412977221 385823272 /nfs/dbraw/zinc/82/32/72/385823272.db2.gz LBLIFVUXXYPOTP-KGLIPLIRSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@H](C[N@H+](C)CC[C@@H]1CCCCN1C)OC ZINC000412977220 385823718 /nfs/dbraw/zinc/82/37/18/385823718.db2.gz LBLIFVUXXYPOTP-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC[C@@H](C[N@@H+](C)CC[C@@H]1CCCCN1C)OC ZINC000412977220 385823722 /nfs/dbraw/zinc/82/37/22/385823722.db2.gz LBLIFVUXXYPOTP-KBPBESRZSA-N 1 3 242.407 2.218 20 0 BEADHO CC[NH2+][C@H](C)CNC[C@H](C)CC(C)C ZINC000414953236 385831719 /nfs/dbraw/zinc/83/17/19/385831719.db2.gz JJNFWJDZKYGGKG-VXGBXAGGSA-N 1 3 200.370 2.256 20 0 BEADHO Cc1oc2ccccc2c1CNC[C@H](C)C[NH3+] ZINC000414869589 385837287 /nfs/dbraw/zinc/83/72/87/385837287.db2.gz ARADTSKHQNCXDN-SNVBAGLBSA-N 1 3 232.327 2.426 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)CN ZINC000414870694 385849671 /nfs/dbraw/zinc/84/96/71/385849671.db2.gz CDUSHZDIAVOZLV-TZMCWYRMSA-N 1 3 220.360 2.192 20 0 BEADHO C[C@H](C[NH3+])CNC/C=C\c1ccc(F)cc1 ZINC000414874696 385886221 /nfs/dbraw/zinc/88/62/21/385886221.db2.gz IUSVSTPNYRQPGU-OTDNITJGSA-N 1 3 222.307 2.023 20 0 BEADHO C[C@@H](CC1CCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000414874829 385889060 /nfs/dbraw/zinc/88/90/60/385889060.db2.gz ZMJLQANOVLTIKJ-WCQYABFASA-N 1 3 210.365 2.297 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000414875695 385901659 /nfs/dbraw/zinc/90/16/59/385901659.db2.gz KHHKDUSDHNHNSP-RAIGVLPGSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000414875697 385901666 /nfs/dbraw/zinc/90/16/66/385901666.db2.gz KHHKDUSDHNHNSP-WXHSDQCUSA-N 1 3 210.365 2.140 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414964270 385902951 /nfs/dbraw/zinc/90/29/51/385902951.db2.gz UQGMCOZCQFWLTN-QADGWQRPSA-N 1 3 248.345 2.427 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CCC[C@H]1C(C)C ZINC000414876386 385907576 /nfs/dbraw/zinc/90/75/76/385907576.db2.gz VTHFQUSULYUELM-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO FC1(F)CC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000334492155 385908259 /nfs/dbraw/zinc/90/82/59/385908259.db2.gz FCEYWOREDMHCNS-NWDGAFQWSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000334492155 385908260 /nfs/dbraw/zinc/90/82/60/385908260.db2.gz FCEYWOREDMHCNS-NWDGAFQWSA-N 1 3 244.329 2.248 20 0 BEADHO FC1(F)CC(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000334492155 385908264 /nfs/dbraw/zinc/90/82/64/385908264.db2.gz FCEYWOREDMHCNS-NWDGAFQWSA-N 1 3 244.329 2.248 20 0 BEADHO CC(C)=CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000397769937 385912410 /nfs/dbraw/zinc/91/24/10/385912410.db2.gz UPRNRMIJVLQEFL-OLZOCXBDSA-N 1 3 210.365 2.463 20 0 BEADHO C([NH2+][C@H]1CCCC12CCCC2)[C@H]1CCCN1 ZINC000335033070 385921742 /nfs/dbraw/zinc/92/17/42/385921742.db2.gz OFSBQNVQNBLIQX-OLZOCXBDSA-N 1 3 222.376 2.441 20 0 BEADHO C[C@@H](CN)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414877739 385930108 /nfs/dbraw/zinc/93/01/08/385930108.db2.gz NEHZRLSKBPIVTB-WDEREUQCSA-N 1 3 224.323 2.114 20 0 BEADHO CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H](C)CN)C1 ZINC000414873723 385878932 /nfs/dbraw/zinc/87/89/32/385878932.db2.gz HTKFKYYDKJPQOU-JHJVBQTASA-N 1 3 212.381 2.387 20 0 BEADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000335020802 385981230 /nfs/dbraw/zinc/98/12/30/385981230.db2.gz BDWKYJJUIGMLKA-DZGCQCFKSA-N 1 3 241.338 2.204 20 0 BEADHO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCNC1 ZINC000414881443 385992242 /nfs/dbraw/zinc/99/22/42/385992242.db2.gz KZULKNWMIJSKHV-IUCAKERBSA-N 1 3 224.270 2.059 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1C1CC1 ZINC000414967623 385932032 /nfs/dbraw/zinc/93/20/32/385932032.db2.gz XWHKVTAUWJPBHA-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1cnccc1C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000295009756 385940041 /nfs/dbraw/zinc/94/00/41/385940041.db2.gz ZGGBAAXWKJSENQ-CQSZACIVSA-N 1 3 247.386 2.164 20 0 BEADHO Cc1cnccc1C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000295009756 385940043 /nfs/dbraw/zinc/94/00/43/385940043.db2.gz ZGGBAAXWKJSENQ-CQSZACIVSA-N 1 3 247.386 2.164 20 0 BEADHO CC[NH+](CC)CCCN(C[C@@H](C)OC)C(C)C ZINC000338312365 385962720 /nfs/dbraw/zinc/96/27/20/385962720.db2.gz ICASEHYLYPZRCZ-CQSZACIVSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CCC[N@H+](C[C@@H](C)OC)C(C)C ZINC000338312365 385962725 /nfs/dbraw/zinc/96/27/25/385962725.db2.gz ICASEHYLYPZRCZ-CQSZACIVSA-N 1 3 244.423 2.464 20 0 BEADHO CCN(CC)CCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000338312365 385962734 /nfs/dbraw/zinc/96/27/34/385962734.db2.gz ICASEHYLYPZRCZ-CQSZACIVSA-N 1 3 244.423 2.464 20 0 BEADHO CC[C@H]1CC[C@H]1[NH2+]CCCN(CC)CC ZINC000336747099 385969055 /nfs/dbraw/zinc/96/90/55/385969055.db2.gz BTAQXWULSKWFFV-QWHCGFSZSA-N 1 3 212.381 2.497 20 0 BEADHO CCN(CC)CCC[N@H+](C)[C@H]1CC1(C)C ZINC000338361588 385970992 /nfs/dbraw/zinc/97/09/92/385970992.db2.gz COQWTPLMAKPDOV-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO CCN(CC)CCC[N@@H+](C)[C@H]1CC1(C)C ZINC000338361588 385970995 /nfs/dbraw/zinc/97/09/95/385970995.db2.gz COQWTPLMAKPDOV-LBPRGKRZSA-N 1 3 212.381 2.449 20 0 BEADHO C[C@H](CN)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000414882298 386012553 /nfs/dbraw/zinc/01/25/53/386012553.db2.gz TXWAMIURNVDRHG-RKDXNWHRSA-N 1 3 226.286 2.292 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(C)cc1C ZINC000414975426 386017559 /nfs/dbraw/zinc/01/75/59/386017559.db2.gz GMFAQTMDGHOPAA-CYBMUJFWSA-N 1 3 206.333 2.130 20 0 BEADHO CC[C@@H](N)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414979226 386042174 /nfs/dbraw/zinc/04/21/74/386042174.db2.gz NEGVPZHXODNVHY-VSQXVHSFSA-N 1 3 240.297 2.305 20 0 BEADHO CC[C@H](N)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000414979223 386043678 /nfs/dbraw/zinc/04/36/78/386043678.db2.gz NEGVPZHXODNVHY-MVZIDQBPSA-N 1 3 240.297 2.305 20 0 BEADHO Cc1ccc(C)c(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000414884832 386050523 /nfs/dbraw/zinc/05/05/23/386050523.db2.gz BJOUOKFWFKKULG-AWEZNQCLSA-N 1 3 218.344 2.130 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414980489 386052118 /nfs/dbraw/zinc/05/21/18/386052118.db2.gz ADUPBPLIRWLCGK-CQSZACIVSA-N 1 3 218.344 2.391 20 0 BEADHO Cc1cc(C)cc(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000414889334 386114477 /nfs/dbraw/zinc/11/44/77/386114477.db2.gz GGMATYNYHUTAGQ-AWEZNQCLSA-N 1 3 218.344 2.130 20 0 BEADHO Cc1ccc(C[NH2+]C[C@H](N)C2CC2)c(C)c1 ZINC000414890025 386119527 /nfs/dbraw/zinc/11/95/27/386119527.db2.gz GYEYSYBALMEALC-AWEZNQCLSA-N 1 3 218.344 2.130 20 0 BEADHO CC[C@@H]([NH3+])CNC[C@@H](C)c1ccc(F)cc1 ZINC000414982375 386065691 /nfs/dbraw/zinc/06/56/91/386065691.db2.gz DBRDVLLKQWBFCN-ZWNOBZJWSA-N 1 3 224.323 2.256 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000414981764 386069549 /nfs/dbraw/zinc/06/95/49/386069549.db2.gz CASRPWIYWAAGBE-NSHDSACASA-N 1 3 249.383 2.432 20 0 BEADHO CC[C@@H](N)C[NH2+]Cc1ccc(SC)cc1 ZINC000414982772 386071087 /nfs/dbraw/zinc/07/10/87/386071087.db2.gz SMKRXMNRQDEFIK-LLVKDONJSA-N 1 3 224.373 2.235 20 0 BEADHO COc1ccccc1/C=C\C[NH2+]C[C@@H](N)C1CC1 ZINC000414886598 386080029 /nfs/dbraw/zinc/08/00/29/386080029.db2.gz CQQICJVKAZVDDF-KXQLTZBTSA-N 1 3 246.354 2.035 20 0 BEADHO CSc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414886614 386080314 /nfs/dbraw/zinc/08/03/14/386080314.db2.gz CQTQXXVSHGSAOM-CYBMUJFWSA-N 1 3 236.384 2.235 20 0 BEADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280088 386091740 /nfs/dbraw/zinc/09/17/40/386091740.db2.gz BYRGRJHGFINFQL-UMSGYPCISA-N 1 3 228.355 2.197 20 0 BEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000414280088 386091746 /nfs/dbraw/zinc/09/17/46/386091746.db2.gz BYRGRJHGFINFQL-UMSGYPCISA-N 1 3 228.355 2.197 20 0 BEADHO Cc1cncc([C@H](C)NCC2=CC[N@H+](C)CC2)c1 ZINC000274352043 386091957 /nfs/dbraw/zinc/09/19/57/386091957.db2.gz GMZXRWSXGODEKH-ZDUSSCGKSA-N 1 3 245.370 2.303 20 0 BEADHO Cc1cncc([C@H](C)NCC2=CC[N@@H+](C)CC2)c1 ZINC000274352043 386091965 /nfs/dbraw/zinc/09/19/65/386091965.db2.gz GMZXRWSXGODEKH-ZDUSSCGKSA-N 1 3 245.370 2.303 20 0 BEADHO c1ccc(C[C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000647876843 386145186 /nfs/dbraw/zinc/14/51/86/386145186.db2.gz BCUXBKUZSJYEHB-HOTGVXAUSA-N 1 3 244.382 2.161 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C ZINC000414349996 386150645 /nfs/dbraw/zinc/15/06/45/386150645.db2.gz YUFCXKYZYQPTRU-FDYHWXHSSA-N 1 3 234.343 2.208 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C ZINC000414349996 386150647 /nfs/dbraw/zinc/15/06/47/386150647.db2.gz YUFCXKYZYQPTRU-FDYHWXHSSA-N 1 3 234.343 2.208 20 0 BEADHO C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCNC1 ZINC000414893254 386154905 /nfs/dbraw/zinc/15/49/05/386154905.db2.gz YYHYHOCMTMXVOI-ZFWWWQNUSA-N 1 3 232.371 2.207 20 0 BEADHO C[C@H](CC[NH3+])NC/C=C/c1ccc(F)cc1 ZINC000414892670 386154951 /nfs/dbraw/zinc/15/49/51/386154951.db2.gz XHURBMVZEPANCK-KXMPLOMGSA-N 1 3 222.307 2.166 20 0 BEADHO Cc1ccc([C@@H]2CCCN2CCC[NH3+])cc1 ZINC000414685575 386173104 /nfs/dbraw/zinc/17/31/04/386173104.db2.gz ZVHMIZDCJBTCOU-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccc([C@@H]2CCC[N@@H+]2CCCN)cc1 ZINC000414685575 386173109 /nfs/dbraw/zinc/17/31/09/386173109.db2.gz ZVHMIZDCJBTCOU-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO Cc1ccc([C@@H]2CCC[N@H+]2CCCN)cc1 ZINC000414685575 386173111 /nfs/dbraw/zinc/17/31/11/386173111.db2.gz ZVHMIZDCJBTCOU-AWEZNQCLSA-N 1 3 218.344 2.481 20 0 BEADHO CC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(C)(C)O ZINC000394010665 386185024 /nfs/dbraw/zinc/18/50/24/386185024.db2.gz DPPKLRGRZOSJRD-MCIONIFRSA-N 1 3 248.370 2.270 20 0 BEADHO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000093079488 386124582 /nfs/dbraw/zinc/12/45/82/386124582.db2.gz PNCAQOZWCDDGES-AVGNSLFASA-N 1 3 212.381 2.495 20 0 BEADHO [NH3+]CCCN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000414691845 386189123 /nfs/dbraw/zinc/18/91/23/386189123.db2.gz JVTCFIGXPKGYNV-LBPRGKRZSA-N 1 3 238.762 2.478 20 0 BEADHO C[C@H](CCN)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414891521 386143759 /nfs/dbraw/zinc/14/37/59/386143759.db2.gz ILSJYNNAPOKQIJ-BBBLOLIVSA-N 1 3 238.297 2.434 20 0 BEADHO [NH3+]CCCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000414699542 386205621 /nfs/dbraw/zinc/20/56/21/386205621.db2.gz IRIJVWMTSLEJOB-AWEZNQCLSA-N 1 3 236.334 2.181 20 0 BEADHO C[C@H](CCN)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000414896771 386206868 /nfs/dbraw/zinc/20/68/68/386206868.db2.gz PUWPHBFCOIWFSQ-GHMZBOCLSA-N 1 3 224.323 2.256 20 0 BEADHO Oc1ccc([C@H]2CCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647882071 386217408 /nfs/dbraw/zinc/21/74/08/386217408.db2.gz HZYHKDVUJAMRDZ-SWLSCSKDSA-N 1 3 246.354 2.139 20 0 BEADHO Oc1ccc([C@@H]2CCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647882069 386218816 /nfs/dbraw/zinc/21/88/16/386218816.db2.gz HZYHKDVUJAMRDZ-DOMZBBRYSA-N 1 3 246.354 2.139 20 0 BEADHO NCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000414707794 386218864 /nfs/dbraw/zinc/21/88/64/386218864.db2.gz ZBLSAVBSWCPREN-UHFFFAOYSA-N 1 3 236.334 2.181 20 0 BEADHO NCCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000414707794 386218867 /nfs/dbraw/zinc/21/88/67/386218867.db2.gz ZBLSAVBSWCPREN-UHFFFAOYSA-N 1 3 236.334 2.181 20 0 BEADHO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H](C)N ZINC000415000446 386223662 /nfs/dbraw/zinc/22/36/62/386223662.db2.gz BDFFPQADNYBIJB-RQDOONKYSA-N 1 3 234.343 2.034 20 0 BEADHO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](CN)C2)cc1 ZINC000347046546 386230067 /nfs/dbraw/zinc/23/00/67/386230067.db2.gz OPMBRPUMWMMSBY-OLZOCXBDSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@H](C)C[N@H+]2CC[C@@H](CN)C2)cc1 ZINC000347046546 386230073 /nfs/dbraw/zinc/23/00/73/386230073.db2.gz OPMBRPUMWMMSBY-OLZOCXBDSA-N 1 3 248.370 2.079 20 0 BEADHO COc1ccc([C@H](C)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000347046546 386230079 /nfs/dbraw/zinc/23/00/79/386230079.db2.gz OPMBRPUMWMMSBY-OLZOCXBDSA-N 1 3 248.370 2.079 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339066402 386233684 /nfs/dbraw/zinc/23/36/84/386233684.db2.gz BZKLPLKIBXGSBJ-YUELXQCFSA-N 1 3 248.370 2.427 20 0 BEADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339066402 386233693 /nfs/dbraw/zinc/23/36/93/386233693.db2.gz BZKLPLKIBXGSBJ-YUELXQCFSA-N 1 3 248.370 2.427 20 0 BEADHO Cc1cc(C)c(C[NH2+][C@H](C)[C@H](C)N)cc1C ZINC000415001907 386235820 /nfs/dbraw/zinc/23/58/20/386235820.db2.gz CQLKYXOUBMXFQV-QWHCGFSZSA-N 1 3 220.360 2.437 20 0 BEADHO C[C@H]1CN(CCC[NH3+])CC[C@@H]1c1ccccc1 ZINC000414718846 386249843 /nfs/dbraw/zinc/24/98/43/386249843.db2.gz ZTOKFJGVMVMGRD-ZFWWWQNUSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H]1C[N@H+](CCCN)CC[C@@H]1c1ccccc1 ZINC000414718846 386249847 /nfs/dbraw/zinc/24/98/47/386249847.db2.gz ZTOKFJGVMVMGRD-ZFWWWQNUSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H]1C[N@@H+](CCCN)CC[C@@H]1c1ccccc1 ZINC000414718846 386249848 /nfs/dbraw/zinc/24/98/48/386249848.db2.gz ZTOKFJGVMVMGRD-ZFWWWQNUSA-N 1 3 232.371 2.461 20 0 BEADHO N[C@H](C[NH2+]C/C=C\c1ccc(F)cc1)C1CC1 ZINC000414896090 386196390 /nfs/dbraw/zinc/19/63/90/386196390.db2.gz OEAOYHWWBUOWIV-DDGIKZQJSA-N 1 3 234.318 2.166 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+](CCSC(C)C)C1 ZINC000336663030 386281662 /nfs/dbraw/zinc/28/16/62/386281662.db2.gz AGRDFTLLEZUWOB-ZDUSSCGKSA-N 1 3 244.448 2.402 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000336663030 386281663 /nfs/dbraw/zinc/28/16/63/386281663.db2.gz AGRDFTLLEZUWOB-ZDUSSCGKSA-N 1 3 244.448 2.402 20 0 BEADHO CC[NH+](CC)C[C@H]1CCN(CCC2CC2)C1 ZINC000336666805 386294339 /nfs/dbraw/zinc/29/43/39/386294339.db2.gz LHAIIHWPAULLAW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336666805 386294342 /nfs/dbraw/zinc/29/43/42/386294342.db2.gz LHAIIHWPAULLAW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CCN(CC)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336666805 386294345 /nfs/dbraw/zinc/29/43/45/386294345.db2.gz LHAIIHWPAULLAW-CQSZACIVSA-N 1 3 224.392 2.450 20 0 BEADHO CC[N@H+](CCCN1CCCC1)Cc1ccn(C)c1 ZINC000289396899 386296322 /nfs/dbraw/zinc/29/63/22/386296322.db2.gz FVLUXHBBAIYWDT-UHFFFAOYSA-N 1 3 249.402 2.333 20 0 BEADHO CC[N@@H+](CCCN1CCCC1)Cc1ccn(C)c1 ZINC000289396899 386296326 /nfs/dbraw/zinc/29/63/26/386296326.db2.gz FVLUXHBBAIYWDT-UHFFFAOYSA-N 1 3 249.402 2.333 20 0 BEADHO CN(C)C1CC[NH+](CCCc2ccncc2)CC1 ZINC000347264367 386310030 /nfs/dbraw/zinc/31/00/30/386310030.db2.gz HLRADNAGRSCIPE-UHFFFAOYSA-N 1 3 247.386 2.040 20 0 BEADHO CCCOc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000415003895 386264225 /nfs/dbraw/zinc/26/42/25/386264225.db2.gz GRLXGVQRPWSPJE-NWDGAFQWSA-N 1 3 236.359 2.301 20 0 BEADHO Cc1ccsc1C[N@@H+](C)CCCN(C)C ZINC000336652035 386267425 /nfs/dbraw/zinc/26/74/25/386267425.db2.gz WBHTYPHOEZGDIR-UHFFFAOYSA-N 1 3 226.389 2.440 20 0 BEADHO Cc1ccsc1C[N@H+](C)CCCN(C)C ZINC000336652035 386267429 /nfs/dbraw/zinc/26/74/29/386267429.db2.gz WBHTYPHOEZGDIR-UHFFFAOYSA-N 1 3 226.389 2.440 20 0 BEADHO CC(C)C[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890133 386367538 /nfs/dbraw/zinc/36/75/38/386367538.db2.gz TWIFOQDGLBBYHH-ZIAGYGMSSA-N 1 3 224.392 2.354 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CCC2CC2)C1 ZINC000336696111 386374467 /nfs/dbraw/zinc/37/44/67/386374467.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC000336696111 386374475 /nfs/dbraw/zinc/37/44/75/386374475.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(CCC2CC2)C1 ZINC000336696111 386374481 /nfs/dbraw/zinc/37/44/81/386374481.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(CCC2CC2)C1 ZINC000336696111 386374488 /nfs/dbraw/zinc/37/44/88/386374488.db2.gz IHIWISKNEILLDL-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CCC1 ZINC000391466627 386326717 /nfs/dbraw/zinc/32/67/17/386326717.db2.gz QJAWKAMHTIVXGP-WCQYABFASA-N 1 3 222.376 2.284 20 0 BEADHO CSc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000415008609 386390463 /nfs/dbraw/zinc/39/04/63/386390463.db2.gz MZDCWKLMNHDPQF-UWVGGRQHSA-N 1 3 224.373 2.234 20 0 BEADHO COC1CC([NH2+]Cc2cccc(CN(C)C)c2)C1 ZINC000347447279 386406727 /nfs/dbraw/zinc/40/67/27/386406727.db2.gz XWJLEFLTQHWMSI-UHFFFAOYSA-N 1 3 248.370 2.015 20 0 BEADHO NCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000414759316 386410768 /nfs/dbraw/zinc/41/07/68/386410768.db2.gz ZWBAHQWEQBPFSS-LSDHHAIUSA-N 1 3 232.371 2.336 20 0 BEADHO NCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000414759313 386411466 /nfs/dbraw/zinc/41/14/66/386411466.db2.gz ZWBAHQWEQBPFSS-CABCVRRESA-N 1 3 232.371 2.336 20 0 BEADHO Cc1ccc(CCC[N@@H+](C)C2CCNCC2)cn1 ZINC000339409280 386413817 /nfs/dbraw/zinc/41/38/17/386413817.db2.gz YGYWSFKFKRFHSZ-UHFFFAOYSA-N 1 3 247.386 2.006 20 0 BEADHO Cc1ccc(CCC[N@H+](C)C2CCNCC2)cn1 ZINC000339409280 386413824 /nfs/dbraw/zinc/41/38/24/386413824.db2.gz YGYWSFKFKRFHSZ-UHFFFAOYSA-N 1 3 247.386 2.006 20 0 BEADHO Cc1ccc(CCCN(C)C2CC[NH2+]CC2)cn1 ZINC000339409280 386413832 /nfs/dbraw/zinc/41/38/32/386413832.db2.gz YGYWSFKFKRFHSZ-UHFFFAOYSA-N 1 3 247.386 2.006 20 0 BEADHO c1coc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093451635 386414029 /nfs/dbraw/zinc/41/40/29/386414029.db2.gz ACTOBCLKHMPQNO-KFWWJZLASA-N 1 3 248.370 2.332 20 0 BEADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414909746 386415503 /nfs/dbraw/zinc/41/55/03/386415503.db2.gz CJRMHTJPEXAJOL-KWCYVHTRSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1ccccc1 ZINC000093462325 386417135 /nfs/dbraw/zinc/41/71/35/386417135.db2.gz QURXJOUDYSAHGI-ZFWWWQNUSA-N 1 3 232.371 2.349 20 0 BEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCOC1 ZINC000093521174 386418568 /nfs/dbraw/zinc/41/85/68/386418568.db2.gz LVQWYOFXJINCOT-HZSPNIEDSA-N 1 3 240.391 2.066 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)[C@H](C)N ZINC000415019256 386492780 /nfs/dbraw/zinc/49/27/80/386492780.db2.gz RTXIOLQVAGOQGQ-NWDGAFQWSA-N 1 3 248.370 2.301 20 0 BEADHO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1Cl ZINC000415014964 386500231 /nfs/dbraw/zinc/50/02/31/386500231.db2.gz MOGCKIWEQVUINL-UWVGGRQHSA-N 1 3 226.751 2.474 20 0 BEADHO C[C@H](CC1CCCC1)[NH2+]C1CCNCC1 ZINC000414781970 386501446 /nfs/dbraw/zinc/50/14/46/386501446.db2.gz OBUJDYVVTISBIB-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NC/C=C/c1ccccc1 ZINC000414787881 386529777 /nfs/dbraw/zinc/52/97/77/386529777.db2.gz CVORLGAERQDORQ-YKHJJTLOSA-N 1 3 230.355 2.417 20 0 BEADHO CC1(C)NCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000415049799 386507181 /nfs/dbraw/zinc/50/71/81/386507181.db2.gz YEAJADQCBFEPIQ-LBPRGKRZSA-N 1 3 210.365 2.297 20 0 BEADHO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)N ZINC000415022590 386511140 /nfs/dbraw/zinc/51/11/40/386511140.db2.gz VPHULTDLTHDORR-WDEREUQCSA-N 1 3 218.344 2.389 20 0 BEADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1ccccc1F ZINC000415023602 386513194 /nfs/dbraw/zinc/51/31/94/386513194.db2.gz XGVZTVZHGREGGD-GMTAPVOTSA-N 1 3 224.323 2.082 20 0 BEADHO CC(C)CCC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000415028819 386516070 /nfs/dbraw/zinc/51/60/70/386516070.db2.gz AGXZGOAHRPOSRO-UONOGXRCSA-N 1 3 242.407 2.169 20 0 BEADHO Cc1cc(C)cc(C[NH2+]C[C@H](N)C(C)C)c1 ZINC000414787280 386523052 /nfs/dbraw/zinc/52/30/52/386523052.db2.gz CDEYQQNSJYQSND-AWEZNQCLSA-N 1 3 220.360 2.376 20 0 BEADHO C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC(C)(C)C1 ZINC000415037745 386524508 /nfs/dbraw/zinc/52/45/08/386524508.db2.gz NDLNOZSMXNUZMV-KVSVUVNWSA-N 1 3 222.376 2.009 20 0 BEADHO C(CC1CCCCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037269 386524561 /nfs/dbraw/zinc/52/45/61/386524561.db2.gz MTLKPCFWGUNLNI-WDNDVIMCSA-N 1 3 222.376 2.154 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NC/C=C\c1ccccc1 ZINC000414787877 386530492 /nfs/dbraw/zinc/53/04/92/386530492.db2.gz CVORLGAERQDORQ-DNWYELSFSA-N 1 3 230.355 2.417 20 0 BEADHO C1CC2(C1)CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000335453910 386528040 /nfs/dbraw/zinc/52/80/40/386528040.db2.gz XNXNUOJZVJLUBY-LBPRGKRZSA-N 1 3 208.349 2.051 20 0 BEADHO Cc1ccc(CCCNCC[C@H]2CCC[NH2+]2)cn1 ZINC000414911568 386455567 /nfs/dbraw/zinc/45/55/67/386455567.db2.gz WLIHHFXIFWQAJU-OAHLLOKOSA-N 1 3 247.386 2.054 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414800788 386585959 /nfs/dbraw/zinc/58/59/59/386585959.db2.gz LJOFKNZRPMESHP-MJBXVCDLSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@@]1(CNC[C@@H]2CCc3ccccc32)CC[NH2+]C1 ZINC000415077695 386586149 /nfs/dbraw/zinc/58/61/49/386586149.db2.gz HVLQIYNQWWNGNV-GOEBONIOSA-N 1 3 244.382 2.306 20 0 BEADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ccccn1 ZINC000336644144 386586281 /nfs/dbraw/zinc/58/62/81/386586281.db2.gz BUURXPOQQGXHLM-VXGBXAGGSA-N 1 3 221.348 2.250 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414800784 386587652 /nfs/dbraw/zinc/58/76/52/386587652.db2.gz LJOFKNZRPMESHP-BFHYXJOUSA-N 1 3 242.407 2.299 20 0 BEADHO Cc1ccccc1OCCN[C@H]1CCC[NH2+]CC1 ZINC000415082326 386598535 /nfs/dbraw/zinc/59/85/35/386598535.db2.gz LUDRTVXJLQYKTC-AWEZNQCLSA-N 1 3 248.370 2.106 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@H](C)Cc1ccccc1 ZINC000414801016 386589527 /nfs/dbraw/zinc/58/95/27/386589527.db2.gz SUNLWVPYHZRKPB-UKRRQHHQSA-N 1 3 234.387 2.438 20 0 BEADHO CCCC[N@H+]1C[C@@H](c2ccccc2)[C@@H](CN)C1 ZINC000337043373 386592216 /nfs/dbraw/zinc/59/22/16/386592216.db2.gz CVEFKETZJLARFP-GJZGRUSLSA-N 1 3 232.371 2.461 20 0 BEADHO CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@H](CN)C1 ZINC000337043373 386592224 /nfs/dbraw/zinc/59/22/24/386592224.db2.gz CVEFKETZJLARFP-GJZGRUSLSA-N 1 3 232.371 2.461 20 0 BEADHO C[C@H](Cc1ccccc1F)N[C@H](C[NH3+])C1CC1 ZINC000414799811 386593095 /nfs/dbraw/zinc/59/30/95/386593095.db2.gz DXOBBHAZXAUPOM-QMTHXVAHSA-N 1 3 236.334 2.084 20 0 BEADHO CC(C)[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000415060432 386541701 /nfs/dbraw/zinc/54/17/01/386541701.db2.gz KGRLQOOJPXJMKB-JEWKUQAESA-N 1 3 236.403 2.255 20 0 BEADHO C[C@@H]1CCC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000415071001 386555083 /nfs/dbraw/zinc/55/50/83/386555083.db2.gz RZPNTTPNBWRBBY-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]([NH3+])CNC[C@H](C)c1ccccc1 ZINC000414795586 386571697 /nfs/dbraw/zinc/57/16/97/386571697.db2.gz NBYFCCOKPJYPQN-GXTWGEPZSA-N 1 3 220.360 2.363 20 0 BEADHO CC(C)[C@@H](N)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414795161 386573336 /nfs/dbraw/zinc/57/33/36/386573336.db2.gz MTFPKWWSNLQCST-NQHOJNORSA-N 1 3 236.334 2.412 20 0 BEADHO Cc1cccc(CCNC[C@]2(C)CC[NH2+]C2)c1 ZINC000415103687 386623449 /nfs/dbraw/zinc/62/34/49/386623449.db2.gz KRNLBABHNJYFDB-HNNXBMFYSA-N 1 3 232.371 2.127 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC1)C1CCC(F)(F)CC1 ZINC000335498956 386625310 /nfs/dbraw/zinc/62/53/10/386625310.db2.gz ZQVFLSCSDVMWDP-ONGXEEELSA-N 1 3 232.318 2.152 20 0 BEADHO CCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414925337 386637689 /nfs/dbraw/zinc/63/76/89/386637689.db2.gz LOUVAYPEQJWNGH-UONOGXRCSA-N 1 3 248.370 2.445 20 0 BEADHO C[N@H+](CCCCNCc1ccco1)C1CC1 ZINC000453595684 386643106 /nfs/dbraw/zinc/64/31/06/386643106.db2.gz KMCSFKWWPGUCCX-UHFFFAOYSA-N 1 3 222.332 2.244 20 0 BEADHO C[N@@H+](CCCCNCc1ccco1)C1CC1 ZINC000453595684 386643111 /nfs/dbraw/zinc/64/31/11/386643111.db2.gz KMCSFKWWPGUCCX-UHFFFAOYSA-N 1 3 222.332 2.244 20 0 BEADHO NC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000414812878 386643978 /nfs/dbraw/zinc/64/39/78/386643978.db2.gz PXWYTNNWBIOPGX-LBPRGKRZSA-N 1 3 242.725 2.306 20 0 BEADHO CCCCN(C[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062911736 386653805 /nfs/dbraw/zinc/65/38/05/386653805.db2.gz QNSXWTSVCPOCQX-ZDUSSCGKSA-N 1 3 210.365 2.251 20 0 BEADHO CCCc1cccc(C[NH2+]CC(C)(C)N)c1 ZINC000414802119 386604106 /nfs/dbraw/zinc/60/41/06/386604106.db2.gz KBOHWLHXTSGIIK-UHFFFAOYSA-N 1 3 220.360 2.466 20 0 BEADHO CC(C)(N)C[NH2+]CCOc1cccc(Cl)c1 ZINC000415088592 386607519 /nfs/dbraw/zinc/60/75/19/386607519.db2.gz VLBOHZAYKBXVFW-UHFFFAOYSA-N 1 3 242.750 2.046 20 0 BEADHO COC1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000414805366 386611541 /nfs/dbraw/zinc/61/15/41/386611541.db2.gz POZSNNNWDOPWOB-BLYZHGLHSA-N 1 3 240.391 2.051 20 0 BEADHO CC[C@H](N[C@H](C)C[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000415090108 386611674 /nfs/dbraw/zinc/61/16/74/386611674.db2.gz ZYCYCQWUYYYGEV-ZOBORPQBSA-N 1 3 240.391 2.064 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300799594 386617978 /nfs/dbraw/zinc/61/79/78/386617978.db2.gz CTRMBHOSIKMXJO-GMTAPVOTSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000300799594 386617984 /nfs/dbraw/zinc/61/79/84/386617984.db2.gz CTRMBHOSIKMXJO-GMTAPVOTSA-N 1 3 232.318 2.091 20 0 BEADHO C[C@H](CCc1ccsc1)NCC(C)(C)[NH3+] ZINC000414807553 386618612 /nfs/dbraw/zinc/61/86/12/386618612.db2.gz RLPQLVFWERSEFG-SNVBAGLBSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H](N)CC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000414818853 386666781 /nfs/dbraw/zinc/66/67/81/386666781.db2.gz FYSMGUUPHMKGBN-DRZSPHRISA-N 1 3 210.365 2.282 20 0 BEADHO CCCC[C@H](COC)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414823777 386679857 /nfs/dbraw/zinc/67/98/57/386679857.db2.gz PJOHSRSCFPTQPO-MGPQQGTHSA-N 1 3 242.407 2.169 20 0 BEADHO CCCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414823777 386679863 /nfs/dbraw/zinc/67/98/63/386679863.db2.gz PJOHSRSCFPTQPO-MGPQQGTHSA-N 1 3 242.407 2.169 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@@H](C)CC1CCCC1 ZINC000414833082 386710685 /nfs/dbraw/zinc/71/06/85/386710685.db2.gz GCGBQZBLHZZGIT-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO Clc1ccccc1CNCC[C@H]1CC[NH2+]C1 ZINC000414824844 386684204 /nfs/dbraw/zinc/68/42/04/386684204.db2.gz BGZSLCZCNRMVHC-LLVKDONJSA-N 1 3 238.762 2.429 20 0 BEADHO CCCC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826618 386686900 /nfs/dbraw/zinc/68/69/00/386686900.db2.gz JHJLLRZHEKRCCQ-FKJOKYEKSA-N 1 3 210.365 2.438 20 0 BEADHO C[NH2+]CCN[C@H](C)C[C@@H](C)CC(C)C ZINC000414828623 386697585 /nfs/dbraw/zinc/69/75/85/386697585.db2.gz LAWVIIQMEPGXQO-NWDGAFQWSA-N 1 3 200.370 2.256 20 0 BEADHO C[C@H]([NH3+])CCNCc1ccc(C2CC2)cc1 ZINC000414827198 386700116 /nfs/dbraw/zinc/70/01/16/386700116.db2.gz XJOXCELSTPELQB-NSHDSACASA-N 1 3 218.344 2.391 20 0 BEADHO CC[NH2+]CCN[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000414830240 386704974 /nfs/dbraw/zinc/70/49/74/386704974.db2.gz NRTAWVNNNDKWJP-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO Cc1ccoc1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292874248 386737884 /nfs/dbraw/zinc/73/78/84/386737884.db2.gz WUVJUFUPJJTRLS-CQSZACIVSA-N 1 3 234.343 2.116 20 0 BEADHO Cc1ccoc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000292874248 386737890 /nfs/dbraw/zinc/73/78/90/386737890.db2.gz WUVJUFUPJJTRLS-CQSZACIVSA-N 1 3 234.343 2.116 20 0 BEADHO Cc1ccoc1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292874246 386739109 /nfs/dbraw/zinc/73/91/09/386739109.db2.gz WUVJUFUPJJTRLS-AWEZNQCLSA-N 1 3 234.343 2.116 20 0 BEADHO Cc1ccoc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292874246 386739115 /nfs/dbraw/zinc/73/91/15/386739115.db2.gz WUVJUFUPJJTRLS-AWEZNQCLSA-N 1 3 234.343 2.116 20 0 BEADHO COC(C)(C)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000302509837 386718630 /nfs/dbraw/zinc/71/86/30/386718630.db2.gz VCUVECROUXEYJS-AVGNSLFASA-N 1 3 240.391 2.016 20 0 BEADHO COC(C)(C)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000302509837 386718634 /nfs/dbraw/zinc/71/86/34/386718634.db2.gz VCUVECROUXEYJS-AVGNSLFASA-N 1 3 240.391 2.016 20 0 BEADHO CCCC(CCC)[NH2+]C[C@@H](C)CNC ZINC000414832720 386718982 /nfs/dbraw/zinc/71/89/82/386718982.db2.gz FQJDYWVMDBYYCP-NSHDSACASA-N 1 3 200.370 2.400 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1 ZINC000414834271 386724580 /nfs/dbraw/zinc/72/45/80/386724580.db2.gz HFQVSLXUGMIPFA-ZIAGYGMSSA-N 1 3 234.387 2.453 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)CCc1ccccc1 ZINC000414834271 386724588 /nfs/dbraw/zinc/72/45/88/386724588.db2.gz HFQVSLXUGMIPFA-ZIAGYGMSSA-N 1 3 234.387 2.453 20 0 BEADHO CN(C)CCSCC[C@@H]1CCCC[N@@H+]1C ZINC000340697114 386728649 /nfs/dbraw/zinc/72/86/49/386728649.db2.gz OTAUOFYIQCEWPK-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CN(C)CCSCC[C@@H]1CCCC[N@H+]1C ZINC000340697114 386728655 /nfs/dbraw/zinc/72/86/55/386728655.db2.gz OTAUOFYIQCEWPK-LBPRGKRZSA-N 1 3 230.421 2.156 20 0 BEADHO CCCC[C@@H](CC)[NH2+]C[C@H](C)CNC ZINC000414840840 386752454 /nfs/dbraw/zinc/75/24/54/386752454.db2.gz NPPCPPDOCSEUPT-VXGBXAGGSA-N 1 3 200.370 2.400 20 0 BEADHO CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414842545 386759687 /nfs/dbraw/zinc/75/96/87/386759687.db2.gz BKHOABKXGVYNQH-AAEUAGOBSA-N 1 3 212.381 2.400 20 0 BEADHO CCSCC[C@H](C)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000340712623 386759889 /nfs/dbraw/zinc/75/98/89/386759889.db2.gz PNEKRJAQTYOIDQ-QWHCGFSZSA-N 1 3 244.448 2.450 20 0 BEADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000414931411 386759885 /nfs/dbraw/zinc/75/98/85/386759885.db2.gz PZJIBIHRUHKRNL-SYAUCNOPSA-N 1 3 244.382 2.378 20 0 BEADHO CC[C@@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000450863685 386790551 /nfs/dbraw/zinc/79/05/51/386790551.db2.gz TXTONACWWJGDND-CYBMUJFWSA-N 1 3 233.359 2.311 20 0 BEADHO CC[C@H](C)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000450863691 386788045 /nfs/dbraw/zinc/78/80/45/386788045.db2.gz TXTONACWWJGDND-ZDUSSCGKSA-N 1 3 233.359 2.311 20 0 BEADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417959258 386825688 /nfs/dbraw/zinc/82/56/88/386825688.db2.gz LPGYIAOLQDSPCB-YNEHKIRRSA-N 1 3 240.391 2.016 20 0 BEADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2COC(C)(C)C2)C1 ZINC000417959258 386825693 /nfs/dbraw/zinc/82/56/93/386825693.db2.gz LPGYIAOLQDSPCB-YNEHKIRRSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](CCC1CC1)[NH2+]CCCNC1CC1 ZINC000398472847 386826846 /nfs/dbraw/zinc/82/68/46/386826846.db2.gz OQOAFDPHLNNHTL-LLVKDONJSA-N 1 3 210.365 2.297 20 0 BEADHO CCCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425339404 386839994 /nfs/dbraw/zinc/83/99/94/386839994.db2.gz CMWXOWQZOJUBOP-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[C@@H]2SC)C1 ZINC000425339404 386840003 /nfs/dbraw/zinc/84/00/03/386840003.db2.gz CMWXOWQZOJUBOP-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CC[C@@H]2SC)C1 ZINC000425339404 386840009 /nfs/dbraw/zinc/84/00/09/386840009.db2.gz CMWXOWQZOJUBOP-UPJWGTAASA-N 1 3 242.432 2.202 20 0 BEADHO CC(C)OC1CC([NH2+]CCCN2CCCC2)C1 ZINC000428078715 386883726 /nfs/dbraw/zinc/88/37/26/386883726.db2.gz SRPWQPBFWSZQBW-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CC(C)OC1CC(NCCC[NH+]2CCCC2)C1 ZINC000428078715 386883734 /nfs/dbraw/zinc/88/37/34/386883734.db2.gz SRPWQPBFWSZQBW-UHFFFAOYSA-N 1 3 240.391 2.018 20 0 BEADHO CCOC[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000341476053 386916947 /nfs/dbraw/zinc/91/69/47/386916947.db2.gz CCKPXZNYLPDMBC-GFCCVEGCSA-N 1 3 240.391 2.018 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@H]2C)c(C)c1 ZINC000334853610 386904917 /nfs/dbraw/zinc/90/49/17/386904917.db2.gz FAKOIAUYVCNPIO-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1cccc(C)c1C[NH2+][C@H]1CCNC[C@H]1C ZINC000334857823 386910400 /nfs/dbraw/zinc/91/04/00/386910400.db2.gz OTFKQCBYWONIJO-HIFRSBDPSA-N 1 3 232.371 2.391 20 0 BEADHO CC(C)(C)C[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332018339 386942821 /nfs/dbraw/zinc/94/28/21/386942821.db2.gz QNTCPCDHUQXRPN-YNEHKIRRSA-N 1 3 242.407 2.033 20 0 BEADHO CSC1(C[N@@H+]2CCC[C@H](N(C)C)CC2)CC1 ZINC000367317258 386991649 /nfs/dbraw/zinc/99/16/49/386991649.db2.gz JGDWBFHHAGTCBX-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1(C[N@H+]2CCC[C@H](N(C)C)CC2)CC1 ZINC000367317258 386991654 /nfs/dbraw/zinc/99/16/54/386991654.db2.gz JGDWBFHHAGTCBX-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO CSC1(CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000367317258 386991657 /nfs/dbraw/zinc/99/16/57/386991657.db2.gz JGDWBFHHAGTCBX-LBPRGKRZSA-N 1 3 242.432 2.298 20 0 BEADHO c1ccc(CCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000336786236 386992994 /nfs/dbraw/zinc/99/29/94/386992994.db2.gz BLSBULBRIMFOLM-CVEARBPZSA-N 1 3 244.382 2.161 20 0 BEADHO CO[C@@H](C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000358666571 386996896 /nfs/dbraw/zinc/99/68/96/386996896.db2.gz QCTUEPMATFXKOE-LBPRGKRZSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(F)cc2)CC1 ZINC000104436283 387004271 /nfs/dbraw/zinc/00/42/71/387004271.db2.gz ULIMPFUMTNWNOY-LLVKDONJSA-N 1 3 236.334 2.385 20 0 BEADHO [NH3+]CC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000070074205 387043485 /nfs/dbraw/zinc/04/34/85/387043485.db2.gz ANRRTNRCUIFBLO-GFCCVEGCSA-N 1 3 236.334 2.387 20 0 BEADHO Cc1csc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000070503304 387066881 /nfs/dbraw/zinc/06/68/81/387066881.db2.gz BNLPELABTYDWGD-GHMZBOCLSA-N 1 3 239.388 2.059 20 0 BEADHO COc1ccc2c(c1)[C@@H](NC[C@H](C)C[NH3+])CCC2 ZINC000423299661 387130305 /nfs/dbraw/zinc/13/03/05/387130305.db2.gz QJJIIBHNFMCLKT-ABAIWWIYSA-N 1 3 248.370 2.257 20 0 BEADHO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN ZINC000423299830 387130489 /nfs/dbraw/zinc/13/04/89/387130489.db2.gz CEAXQGRRBNURJR-GRYCIOLGSA-N 1 3 200.370 2.386 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1c2cc(F)ccc2C[C@H]1C ZINC000423298618 387130856 /nfs/dbraw/zinc/13/08/56/387130856.db2.gz OUZDOYHPIWWCAR-GPCCPHFNSA-N 1 3 236.334 2.243 20 0 BEADHO Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3N)ccc2[nH]1 ZINC000335008157 387102640 /nfs/dbraw/zinc/10/26/40/387102640.db2.gz HCZDQKXOOCMWLP-UKRRQHHQSA-N 1 3 243.354 2.446 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000335007601 387103652 /nfs/dbraw/zinc/10/36/52/387103652.db2.gz PARVQYVPHSYBED-DGCLKSJQSA-N 1 3 222.376 2.297 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000335025403 387117029 /nfs/dbraw/zinc/11/70/29/387117029.db2.gz RMDSFCOGNNJQEO-KBPBESRZSA-N 1 3 218.344 2.436 20 0 BEADHO CCOc1cccc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000250507083 387124539 /nfs/dbraw/zinc/12/45/39/387124539.db2.gz FQZNAAUGYWLEPT-OCCSQVGLSA-N 1 3 248.370 2.254 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)CN ZINC000423299911 387132331 /nfs/dbraw/zinc/13/23/31/387132331.db2.gz CQHQTWTXEIYSNU-UMSGYPCISA-N 1 3 212.381 2.386 20 0 BEADHO C[C@H](C[NH3+])CN[C@H]1CCCOc2ccccc21 ZINC000423301171 387132333 /nfs/dbraw/zinc/13/23/33/387132333.db2.gz SQPBPNMUQCYBED-YPMHNXCESA-N 1 3 234.343 2.085 20 0 BEADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC1CNC1 ZINC000423301273 387132454 /nfs/dbraw/zinc/13/24/54/387132454.db2.gz HBIPVSNNTQHOGL-QWHCGFSZSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1cccc2c1CC[C@@H]2NC[C@H](C)C[NH3+] ZINC000423298576 387128999 /nfs/dbraw/zinc/12/89/99/387128999.db2.gz OOPXJBIGCBAAFW-YGRLFVJLSA-N 1 3 218.344 2.167 20 0 BEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C1(CC)CC ZINC000423298650 387129495 /nfs/dbraw/zinc/12/94/95/387129495.db2.gz AMXSXQYWMBMDQH-FRRDWIJNSA-N 1 3 242.407 2.155 20 0 BEADHO CC[C@H](NC[C@H](C)C[NH3+])c1cccc(F)c1 ZINC000423305635 387141506 /nfs/dbraw/zinc/14/15/06/387141506.db2.gz KUDYPFCZMFNYRK-MFKMUULPSA-N 1 3 224.323 2.461 20 0 BEADHO C[C@H](CN)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000423306526 387142322 /nfs/dbraw/zinc/14/23/22/387142322.db2.gz LPOXTYKBUAQDIM-ZJUUUORDSA-N 1 3 234.334 2.385 20 0 BEADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1CNC1 ZINC000423307347 387143716 /nfs/dbraw/zinc/14/37/16/387143716.db2.gz VTFNBDJTMJMKDH-RTXFEEFZSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1ccc([C@H](C)[NH2+]C[C@@H](N)C2CC2)s1 ZINC000423325054 387143793 /nfs/dbraw/zinc/14/37/93/387143793.db2.gz PWNOGFSSEKWNFV-GXSJLCMTSA-N 1 3 224.373 2.444 20 0 BEADHO CCC[NH2+]CCN[C@@H]1CC(C)(C)C[C@@H]1C ZINC000423309855 387145241 /nfs/dbraw/zinc/14/52/41/387145241.db2.gz MENBDSRHIHJTFZ-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[NH2+]CCN[C@H]1CC(C)(C)C[C@H]1C ZINC000423309851 387146215 /nfs/dbraw/zinc/14/62/15/387146215.db2.gz MENBDSRHIHJTFZ-NEPJUHHUSA-N 1 3 212.381 2.400 20 0 BEADHO N[C@H]1CCCCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495512 387146508 /nfs/dbraw/zinc/14/65/08/387146508.db2.gz IYUXXRZSFSGAPD-YVECIDJPSA-N 1 3 234.343 2.385 20 0 BEADHO N[C@H]1CCCCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000643495511 387147066 /nfs/dbraw/zinc/14/70/66/387147066.db2.gz IYUXXRZSFSGAPD-MROQNXINSA-N 1 3 234.343 2.385 20 0 BEADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccsc1 ZINC000423309231 387147133 /nfs/dbraw/zinc/14/71/33/387147133.db2.gz PXVYTPPUSWFWFV-ONGXEEELSA-N 1 3 212.362 2.384 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2ccc(F)cc21 ZINC000423310629 387147196 /nfs/dbraw/zinc/14/71/96/387147196.db2.gz SDIVLVBKKWAWCU-HZMBPMFUSA-N 1 3 236.334 2.388 20 0 BEADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2ccc(F)cc21 ZINC000423310631 387147228 /nfs/dbraw/zinc/14/72/28/387147228.db2.gz SDIVLVBKKWAWCU-QMTHXVAHSA-N 1 3 236.334 2.388 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](N)C1CC1)CC2 ZINC000423313171 387151483 /nfs/dbraw/zinc/15/14/83/387151483.db2.gz FGKBUYCCJIEJPF-GJZGRUSLSA-N 1 3 246.354 2.009 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)CN ZINC000423312774 387152049 /nfs/dbraw/zinc/15/20/49/387152049.db2.gz VSFXWEFRBNKUSP-DZGCQCFKSA-N 1 3 234.387 2.438 20 0 BEADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)C1 ZINC000423312958 387152097 /nfs/dbraw/zinc/15/20/97/387152097.db2.gz VVKCYCSMMMYRQB-JHJVBQTASA-N 1 3 212.381 2.386 20 0 BEADHO N[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC000423314693 387153122 /nfs/dbraw/zinc/15/31/22/387153122.db2.gz HNQIRAPUHZREKB-KBPBESRZSA-N 1 3 234.318 2.140 20 0 BEADHO C[N@@H+]1CCC[C@H]1CCN1CCCC2(CC2)C1 ZINC000187006242 387154299 /nfs/dbraw/zinc/15/42/99/387154299.db2.gz XNTXCLHTMKNITR-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO C[N@H+]1CCC[C@H]1CCN1CCCC2(CC2)C1 ZINC000187006242 387154302 /nfs/dbraw/zinc/15/43/02/387154302.db2.gz XNTXCLHTMKNITR-ZDUSSCGKSA-N 1 3 222.376 2.347 20 0 BEADHO CCOc1ccc([C@@H](C)[NH2+]C[C@H](N)C2CC2)cc1 ZINC000423314447 387154533 /nfs/dbraw/zinc/15/45/33/387154533.db2.gz HHEYXHDDOAXAHW-ABAIWWIYSA-N 1 3 248.370 2.473 20 0 BEADHO CC(C)O[C@H]1C[C@@H](NCC2([NH3+])CCC2)C1(C)C ZINC000423315956 387156701 /nfs/dbraw/zinc/15/67/01/387156701.db2.gz BHVDIRCNJSDQDW-NEPJUHHUSA-N 1 3 240.391 2.050 20 0 BEADHO N[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000423315571 387157082 /nfs/dbraw/zinc/15/70/82/387157082.db2.gz IZROADLRKUHREH-CABCVRRESA-N 1 3 230.355 2.465 20 0 BEADHO N[C@H](C[NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC000423316503 387157506 /nfs/dbraw/zinc/15/75/06/387157506.db2.gz JSSQSPODHAZMBM-KGLIPLIRSA-N 1 3 216.328 2.001 20 0 BEADHO CCC[NH2+]CCN[C@H](C1CC1)C1CCC1 ZINC000423315814 387157586 /nfs/dbraw/zinc/15/75/86/387157586.db2.gz XPFODFKEPVDJSI-ZDUSSCGKSA-N 1 3 210.365 2.154 20 0 BEADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](N)C1CC1 ZINC000423321640 387164304 /nfs/dbraw/zinc/16/43/04/387164304.db2.gz NGLQUBYRIBYECH-FZMZJTMJSA-N 1 3 218.344 2.383 20 0 BEADHO CCO[C@@H]1C[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000571745700 387167819 /nfs/dbraw/zinc/16/78/19/387167819.db2.gz WKIZNBPEFOJHLQ-CHWSQXEVSA-N 1 3 240.391 2.016 20 0 BEADHO N[C@@H](C[NH2+][C@@H]1CCCc2sccc21)C1CC1 ZINC000423323890 387168196 /nfs/dbraw/zinc/16/81/96/387168196.db2.gz PCQVBWSPVXPSSR-NWDGAFQWSA-N 1 3 236.384 2.452 20 0 BEADHO C[C@H](C[NH3+])N[C@H](C)Cc1coc2ccccc12 ZINC000423324324 387168294 /nfs/dbraw/zinc/16/82/94/387168294.db2.gz KOYQBQRMLSSAPL-GHMZBOCLSA-N 1 3 232.327 2.301 20 0 BEADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000571777087 387168938 /nfs/dbraw/zinc/16/89/38/387168938.db2.gz QWLDUUOZMLOCSK-LOWDOPEQSA-N 1 3 210.365 2.138 20 0 BEADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(OC)cc1 ZINC000423328751 387172304 /nfs/dbraw/zinc/17/23/04/387172304.db2.gz SGYKIXZUPDLTTR-GJZGRUSLSA-N 1 3 248.370 2.473 20 0 BEADHO Cc1ccsc1[C@H](C)[NH2+]C[C@H](N)C1CC1 ZINC000423332462 387177615 /nfs/dbraw/zinc/17/76/15/387177615.db2.gz VFOXDHOCKMIGFM-ONGXEEELSA-N 1 3 224.373 2.444 20 0 BEADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc2c(c1)COC2 ZINC000423331728 387177629 /nfs/dbraw/zinc/17/76/29/387177629.db2.gz UUADZNSIEMLYLW-MEBBXXQBSA-N 1 3 246.354 2.105 20 0 BEADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CNC1 ZINC000423339201 387187522 /nfs/dbraw/zinc/18/75/22/387187522.db2.gz ZIZDSPBOUYEDGA-CYZMBNFOSA-N 1 3 210.365 2.010 20 0 BEADHO COc1ccc([C@H](C)[NH2+]CC2(N)CCC2)cc1 ZINC000423342522 387191751 /nfs/dbraw/zinc/19/17/51/387191751.db2.gz YWPSKXJSILCNOC-NSHDSACASA-N 1 3 234.343 2.227 20 0 BEADHO c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CC2CNC2)cc1 ZINC000423301538 387133048 /nfs/dbraw/zinc/13/30/48/387133048.db2.gz HKHRHVOOWUBGJH-JKSUJKDBSA-N 1 3 244.382 2.207 20 0 BEADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CNC1 ZINC000423302182 387134335 /nfs/dbraw/zinc/13/43/35/387134335.db2.gz JEJYIQVZLPFBOE-MRVWCRGKSA-N 1 3 224.392 2.256 20 0 BEADHO CCC[C@@H]([NH2+]C[C@H](C)CN)C(C)(C)C ZINC000423302339 387135392 /nfs/dbraw/zinc/13/53/92/387135392.db2.gz HDYSKEBIIOAASR-GHMZBOCLSA-N 1 3 200.370 2.386 20 0 BEADHO COC[C@@H](CC(C)C)[NH2+]CCCN1CCCC1 ZINC000359621344 387136723 /nfs/dbraw/zinc/13/67/23/387136723.db2.gz USWCIPDFHIMYCK-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@@H](CC(C)C)NCCC[NH+]1CCCC1 ZINC000359621344 387136726 /nfs/dbraw/zinc/13/67/26/387136726.db2.gz USWCIPDFHIMYCK-CQSZACIVSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@H](CC(C)C)[NH2+]CCCN1CCCC1 ZINC000359621343 387137125 /nfs/dbraw/zinc/13/71/25/387137125.db2.gz USWCIPDFHIMYCK-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO COC[C@H](CC(C)C)NCCC[NH+]1CCCC1 ZINC000359621343 387137129 /nfs/dbraw/zinc/13/71/29/387137129.db2.gz USWCIPDFHIMYCK-AWEZNQCLSA-N 1 3 242.407 2.123 20 0 BEADHO c1ccc([C@H]2CC[C@@H]([NH2+]CC3CNC3)C2)cc1 ZINC000423304413 387140019 /nfs/dbraw/zinc/14/00/19/387140019.db2.gz NUJYCFYHQDHZIC-LSDHHAIUSA-N 1 3 230.355 2.132 20 0 BEADHO c1ccc([C@H]2CC[C@@H](NCC3C[NH2+]C3)C2)cc1 ZINC000423304413 387140022 /nfs/dbraw/zinc/14/00/22/387140022.db2.gz NUJYCFYHQDHZIC-LSDHHAIUSA-N 1 3 230.355 2.132 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000423304358 387140326 /nfs/dbraw/zinc/14/03/26/387140326.db2.gz YLEVYPPEJCRYPM-IINYFYTJSA-N 1 3 236.334 2.461 20 0 BEADHO C[C@@H](NCC1C[NH2+]C1)C(C)(C)c1ccccc1 ZINC000423305292 387140508 /nfs/dbraw/zinc/14/05/08/387140508.db2.gz QLBWLXYPRUUCQR-GFCCVEGCSA-N 1 3 232.371 2.162 20 0 BEADHO C[C@@H]([NH2+]CC1CNC1)C(C)(C)c1ccccc1 ZINC000423305292 387140511 /nfs/dbraw/zinc/14/05/11/387140511.db2.gz QLBWLXYPRUUCQR-GFCCVEGCSA-N 1 3 232.371 2.162 20 0 BEADHO Cc1cc([C@@H](C)NCC2=CC[NH2+]CC2)oc1C ZINC000423352555 387203019 /nfs/dbraw/zinc/20/30/19/387203019.db2.gz KQEYSYBRSZYRGI-LLVKDONJSA-N 1 3 234.343 2.467 20 0 BEADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccsc1 ZINC000423350443 387203612 /nfs/dbraw/zinc/20/36/12/387203612.db2.gz ZOJKEFHWWJGFTQ-JTQLQIEISA-N 1 3 222.357 2.318 20 0 BEADHO C[NH+](C)C1CCC(NCc2ccccn2)CC1 ZINC000353451098 387204590 /nfs/dbraw/zinc/20/45/90/387204590.db2.gz WEZIPXKXZMXTGA-UHFFFAOYSA-N 1 3 233.359 2.044 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCc2cc(N)ccc21 ZINC000423354980 387205592 /nfs/dbraw/zinc/20/55/92/387205592.db2.gz DLIFMHKVIOBPOC-PGUXBMHVSA-N 1 3 247.386 2.362 20 0 BEADHO CC[C@H](NCC1=CC[NH2+]CC1)c1ccncc1 ZINC000423353290 387205687 /nfs/dbraw/zinc/20/56/87/387205687.db2.gz LOQPPUZYMVPDQV-AWEZNQCLSA-N 1 3 231.343 2.042 20 0 BEADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[C@H]1C1CCC1 ZINC000423359293 387209489 /nfs/dbraw/zinc/20/94/89/387209489.db2.gz ORXZETKZCJRJTQ-RDBSUJKOSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1ccc(CN(C)CC2CC[NH+](C)CC2)nc1 ZINC000120258279 387216359 /nfs/dbraw/zinc/21/63/59/387216359.db2.gz ULDNHDIPLBMYKI-UHFFFAOYSA-N 1 3 247.386 2.164 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CC1(C)C ZINC000423368977 387220274 /nfs/dbraw/zinc/22/02/74/387220274.db2.gz BMMPSGBDYIQTDR-WRWGMCAJSA-N 1 3 210.365 2.151 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000423372968 387227252 /nfs/dbraw/zinc/22/72/52/387227252.db2.gz BREVZXPPVIMERZ-WOPDTQHZSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ccncc1F ZINC000423428902 387254009 /nfs/dbraw/zinc/25/40/09/387254009.db2.gz JRVXMRCEORLYCX-QWRGUYRKSA-N 1 3 239.338 2.389 20 0 BEADHO C1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2(C1)CCCCC2 ZINC000423423965 387250841 /nfs/dbraw/zinc/25/08/41/387250841.db2.gz FBYHVLFKQJQZSF-RQJABVFESA-N 1 3 234.387 2.297 20 0 BEADHO CC[C@@H](Cc1cccs1)[NH2+]C1CCNCC1 ZINC000643496208 387197622 /nfs/dbraw/zinc/19/76/22/387197622.db2.gz ZXZNFOOAUXEDTP-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO CC[C@@H](Cc1cccs1)NC1CC[NH2+]CC1 ZINC000643496208 387197627 /nfs/dbraw/zinc/19/76/27/387197627.db2.gz ZXZNFOOAUXEDTP-NSHDSACASA-N 1 3 238.400 2.411 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]2C[C@]21C ZINC000423377716 387260756 /nfs/dbraw/zinc/26/07/56/387260756.db2.gz FFYIJVZUKHRVTE-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)[C@H]1C[C@@H]1C ZINC000423385676 387267271 /nfs/dbraw/zinc/26/72/71/387267271.db2.gz GWVAJBVJNOEYNW-PJSNJIKXSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423384416 387269030 /nfs/dbraw/zinc/26/90/30/387269030.db2.gz FXGFCNFPEGTXAJ-RNJOBUHISA-N 1 3 224.392 2.399 20 0 BEADHO CC[NH2+][C@H](C)CN[C@@H]1CC(C)(C)C[C@@H]1C ZINC000423388054 387271294 /nfs/dbraw/zinc/27/12/94/387271294.db2.gz SXNZOYBEXPKXOP-QJPTWQEYSA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCC2)CCN1 ZINC000423388157 387273856 /nfs/dbraw/zinc/27/38/56/387273856.db2.gz TZBXPDYGUAJKAP-HONMWMINSA-N 1 3 222.376 2.295 20 0 BEADHO CC[NH2+][C@H](C)CN[C@H]1CC[C@H]1C1CCC1 ZINC000423389497 387274264 /nfs/dbraw/zinc/27/42/64/387274264.db2.gz NNNOYCCHXCYISV-WXHSDQCUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](Cc1cccs1)NCCC[NH2+]C ZINC000643498382 387277511 /nfs/dbraw/zinc/27/75/11/387277511.db2.gz ONOCWAVEGYYCQW-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO CC[C@H](Cc1cccs1)[NH2+]CCCNC ZINC000643498382 387277513 /nfs/dbraw/zinc/27/75/13/387277513.db2.gz ONOCWAVEGYYCQW-LLVKDONJSA-N 1 3 226.389 2.268 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000423392731 387278749 /nfs/dbraw/zinc/27/87/49/387278749.db2.gz LXEXYUVDIAMNCO-ZZVYKPCYSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000423394074 387279452 /nfs/dbraw/zinc/27/94/52/387279452.db2.gz MRIQIWDODFCIOO-IKOXMDCHSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423392728 387279526 /nfs/dbraw/zinc/27/95/26/387279526.db2.gz LXEXYUVDIAMNCO-RUZUBIRVSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCCC3)CCN1 ZINC000423394537 387281047 /nfs/dbraw/zinc/28/10/47/387281047.db2.gz ZWQCCFNKDHPXPJ-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)CN1CCCC1 ZINC000321594242 387284418 /nfs/dbraw/zinc/28/44/18/387284418.db2.gz PODKFRNQQCYMGN-XJFOESAGSA-N 1 3 224.392 2.352 20 0 BEADHO CC(C)[C@H]([NH2+][C@H](C)[C@H](C)N)c1cccnc1 ZINC000423434600 387286400 /nfs/dbraw/zinc/28/64/00/387286400.db2.gz DATBLIPHCGFNHO-LOWVWBTDSA-N 1 3 221.348 2.104 20 0 BEADHO CCC[C@H](C)[C@H](CC)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437411 387288576 /nfs/dbraw/zinc/28/85/76/387288576.db2.gz QLTRSKVIOFGWJW-IEECTRCBSA-N 1 3 210.365 2.009 20 0 BEADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C1(CC)CC ZINC000423439756 387290434 /nfs/dbraw/zinc/29/04/34/387290434.db2.gz IBNYYBBHXIOYHV-FVCCEPFGSA-N 1 3 242.407 2.296 20 0 BEADHO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](C)N)CCC2 ZINC000423449743 387299658 /nfs/dbraw/zinc/29/96/58/387299658.db2.gz RZDMGIMPLMBYFE-UEKVPHQBSA-N 1 3 248.370 2.398 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCCc2sccc21 ZINC000423455426 387303090 /nfs/dbraw/zinc/30/30/90/387303090.db2.gz CLYZFUGEQSZQCY-KOLCDFICSA-N 1 3 224.373 2.452 20 0 BEADHO CC[C@H](N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000423456198 387303777 /nfs/dbraw/zinc/30/37/77/387303777.db2.gz DKMGQTHAUHBFPO-GXTWGEPZSA-N 1 3 218.344 2.391 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@H](C)S1 ZINC000162060932 387309056 /nfs/dbraw/zinc/30/90/56/387309056.db2.gz VNOFLIJHDVSIMK-XQQFMLRXSA-N 1 3 242.432 2.297 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@H](C)S1 ZINC000162060932 387309061 /nfs/dbraw/zinc/30/90/61/387309061.db2.gz VNOFLIJHDVSIMK-XQQFMLRXSA-N 1 3 242.432 2.297 20 0 BEADHO CC[C@@H](N)C[NH2+][C@H]1CCc2ccccc21 ZINC000423481491 387363562 /nfs/dbraw/zinc/36/35/62/387363562.db2.gz WTESXJWQWRYWOF-YPMHNXCESA-N 1 3 204.317 2.001 20 0 BEADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ccc(F)cn1 ZINC000423538643 387364293 /nfs/dbraw/zinc/36/42/93/387364293.db2.gz NRVPCFSHMDEJAV-LLVKDONJSA-N 1 3 249.333 2.181 20 0 BEADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cncc(F)c1 ZINC000423545115 387367906 /nfs/dbraw/zinc/36/79/06/387367906.db2.gz XQAIJZOFIDJLRO-NSHDSACASA-N 1 3 249.333 2.181 20 0 BEADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000423547391 387369605 /nfs/dbraw/zinc/36/96/05/387369605.db2.gz GBVZUBKTQIPHPM-ZIAGYGMSSA-N 1 3 222.376 2.297 20 0 BEADHO Cc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc(C)n1 ZINC000423548890 387369730 /nfs/dbraw/zinc/36/97/30/387369730.db2.gz NAZZABMVZSNTTQ-GJZGRUSLSA-N 1 3 247.386 2.306 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000643453646 387371242 /nfs/dbraw/zinc/37/12/42/387371242.db2.gz OVLJGZUXLVNJDY-GMXVVIOVSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1Cc2ccccc21 ZINC000643453646 387371246 /nfs/dbraw/zinc/37/12/46/387371246.db2.gz OVLJGZUXLVNJDY-GMXVVIOVSA-N 1 3 218.344 2.042 20 0 BEADHO C[C@H]([NH2+]CCCNC1CC1)C1CCSCC1 ZINC000423573156 387378997 /nfs/dbraw/zinc/37/89/97/387378997.db2.gz YZKBXTXJJGLQHF-NSHDSACASA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2)CCN1 ZINC000575512103 387382223 /nfs/dbraw/zinc/38/22/23/387382223.db2.gz KRKKJSZENUJHEB-OCCSQVGLSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2)CCN1 ZINC000575512103 387382228 /nfs/dbraw/zinc/38/22/28/387382228.db2.gz KRKKJSZENUJHEB-OCCSQVGLSA-N 1 3 218.344 2.259 20 0 BEADHO C[C@@H]1C[C@H](NCCC[C@@H]2CCC[NH2+]2)c2nccn21 ZINC000423472789 387319640 /nfs/dbraw/zinc/31/96/40/387319640.db2.gz GEFLBDPKKUIPIO-AGIUHOORSA-N 1 3 248.374 2.011 20 0 BEADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423474357 387321461 /nfs/dbraw/zinc/32/14/61/387321461.db2.gz HFZZVPZCMNNBSK-CHWSQXEVSA-N 1 3 233.359 2.264 20 0 BEADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])CC)C1(CC)CC ZINC000423477843 387324269 /nfs/dbraw/zinc/32/42/69/387324269.db2.gz UEKGISGVKANQGH-JHJVBQTASA-N 1 3 242.407 2.297 20 0 BEADHO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cs1 ZINC000423478307 387325347 /nfs/dbraw/zinc/32/53/47/387325347.db2.gz UKQGBLXULOZNEN-UTLUCORTSA-N 1 3 212.362 2.443 20 0 BEADHO CC(C)[C@@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430597 387325949 /nfs/dbraw/zinc/32/59/49/387325949.db2.gz LDMMYSLSMVHGTJ-QXSJWSMHSA-N 1 3 244.382 2.061 20 0 BEADHO CC(C)[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423430598 387326692 /nfs/dbraw/zinc/32/66/92/387326692.db2.gz LDMMYSLSMVHGTJ-XUWVNRHRSA-N 1 3 244.382 2.061 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423479958 387327547 /nfs/dbraw/zinc/32/75/47/387327547.db2.gz VSEXVUSBGSKFOY-COPLHBTASA-N 1 3 233.359 2.248 20 0 BEADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000321951511 387329005 /nfs/dbraw/zinc/32/90/05/387329005.db2.gz WXPPKSGZQDMQBF-BNOWGMLFSA-N 1 3 222.376 2.273 20 0 BEADHO CC[C@H](N)C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000423484567 387332167 /nfs/dbraw/zinc/33/21/67/387332167.db2.gz YPCSRQUIAQIQGV-WFASDCNBSA-N 1 3 248.370 2.400 20 0 BEADHO Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000423492218 387336238 /nfs/dbraw/zinc/33/62/38/387336238.db2.gz MFXDMRBKKQJABO-QJPTWQEYSA-N 1 3 222.332 2.366 20 0 BEADHO CN(C)[C@H]1CCC[N@H+](C[Si](C)(C)C)CC1 ZINC000372988117 387340104 /nfs/dbraw/zinc/34/01/04/387340104.db2.gz BMFQYQCSAGHPSD-LBPRGKRZSA-N 1 3 228.456 2.280 20 0 BEADHO CN(C)[C@H]1CCC[N@@H+](C[Si](C)(C)C)CC1 ZINC000372988117 387340109 /nfs/dbraw/zinc/34/01/09/387340109.db2.gz BMFQYQCSAGHPSD-LBPRGKRZSA-N 1 3 228.456 2.280 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000322002901 387346363 /nfs/dbraw/zinc/34/63/63/387346363.db2.gz HDLLEAMLQZYHLW-YNEHKIRRSA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643468285 387418132 /nfs/dbraw/zinc/41/81/32/387418132.db2.gz IBILQXKYVZLGMM-LOWVWBTDSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643468283 387418401 /nfs/dbraw/zinc/41/84/01/387418401.db2.gz IBILQXKYVZLGMM-GMXVVIOVSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H](NC[C@H](C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000643468349 387418961 /nfs/dbraw/zinc/41/89/61/387418961.db2.gz SYEDNKKBLJKCDK-DRZSPHRISA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@H]([NH2+]C[C@H](C)C1CC1)[C@@H]1CCCN1 ZINC000643468349 387418963 /nfs/dbraw/zinc/41/89/63/387418963.db2.gz SYEDNKKBLJKCDK-DRZSPHRISA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)C1CC1 ZINC000643468336 387419529 /nfs/dbraw/zinc/41/95/29/387419529.db2.gz QLXGMZYGROJWIK-WZRBSPASSA-N 1 3 210.365 2.010 20 0 BEADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000643475300 387509725 /nfs/dbraw/zinc/50/97/25/387509725.db2.gz CDZLOZZTSGAYSM-XJFOESAGSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)CC(F)(F)F ZINC000396917963 387515700 /nfs/dbraw/zinc/51/57/00/387515700.db2.gz VXZHOEQCXKNEFM-LPEHRKFASA-N 1 3 238.297 2.292 20 0 BEADHO CO[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000361748982 387529341 /nfs/dbraw/zinc/52/93/41/387529341.db2.gz CRUKYFZISLRMCM-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000361748982 387529343 /nfs/dbraw/zinc/52/93/43/387529343.db2.gz CRUKYFZISLRMCM-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO CO[C@@H]1CCCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000361748982 387529349 /nfs/dbraw/zinc/52/93/49/387529349.db2.gz CRUKYFZISLRMCM-BFHYXJOUSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@@H](CC1CCCC1)NCC[NH2+]C1CC1 ZINC000643507321 387476746 /nfs/dbraw/zinc/47/67/46/387476746.db2.gz ZBZRTQSGGSSQBJ-NSHDSACASA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)[C@H]([NH3+])CN[C@@H](C)Cc1cccs1 ZINC000643511613 387593505 /nfs/dbraw/zinc/59/35/05/387593505.db2.gz LEVINDVWEQCGQJ-CMPLNLGQSA-N 1 3 226.389 2.252 20 0 BEADHO CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](C)CN ZINC000643514660 387599173 /nfs/dbraw/zinc/59/91/73/387599173.db2.gz LILBHLYEJGHKGM-QWRGUYRKSA-N 1 3 226.389 2.254 20 0 BEADHO C[C@@H](N[C@@H]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422702784 387617330 /nfs/dbraw/zinc/61/73/30/387617330.db2.gz LPLFJCSAWJOUJS-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@H]1CCCN1 ZINC000422702784 387617335 /nfs/dbraw/zinc/61/73/35/387617335.db2.gz LPLFJCSAWJOUJS-FDYHWXHSSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000422702867 387617424 /nfs/dbraw/zinc/61/74/24/387617424.db2.gz GDYOIUUUYSWLHQ-IUODEOHRSA-N 1 3 232.371 2.205 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000422702869 387618118 /nfs/dbraw/zinc/61/81/18/387618118.db2.gz GDYOIUUUYSWLHQ-WFASDCNBSA-N 1 3 232.371 2.205 20 0 BEADHO C[C@H](N[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422702786 387618425 /nfs/dbraw/zinc/61/84/25/387618425.db2.gz LPLFJCSAWJOUJS-XQHKEYJVSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCN1 ZINC000422702786 387618429 /nfs/dbraw/zinc/61/84/29/387618429.db2.gz LPLFJCSAWJOUJS-XQHKEYJVSA-N 1 3 210.365 2.295 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000422701917 387619395 /nfs/dbraw/zinc/61/93/95/387619395.db2.gz JKRUDGOAADDBFC-NHCYSSNCSA-N 1 3 233.359 2.155 20 0 BEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCC1 ZINC000422709108 387623822 /nfs/dbraw/zinc/62/38/22/387623822.db2.gz CSMDNEUFKVDKAQ-JTQLQIEISA-N 1 3 233.359 2.299 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCC1 ZINC000422709109 387624156 /nfs/dbraw/zinc/62/41/56/387624156.db2.gz CSMDNEUFKVDKAQ-SNVBAGLBSA-N 1 3 233.359 2.299 20 0 BEADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422713315 387624769 /nfs/dbraw/zinc/62/47/69/387624769.db2.gz PMMBLURXPYXBSB-BSLXNSKLSA-N 1 3 248.370 2.128 20 0 BEADHO CC(C)OCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000430645218 387635077 /nfs/dbraw/zinc/63/50/77/387635077.db2.gz ZXQDHWKMEKRDTP-CHWSQXEVSA-N 1 3 228.380 2.003 20 0 BEADHO CC(C)OCCC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000430645218 387635078 /nfs/dbraw/zinc/63/50/78/387635078.db2.gz ZXQDHWKMEKRDTP-CHWSQXEVSA-N 1 3 228.380 2.003 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(F)cc1 ZINC000422726836 387635201 /nfs/dbraw/zinc/63/52/01/387635201.db2.gz GBRLFURZZWMGFV-NXEZZACHSA-N 1 3 210.296 2.041 20 0 BEADHO CCCCOCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422726506 387636931 /nfs/dbraw/zinc/63/69/31/387636931.db2.gz FBNXAVLCZMJHIF-PBWFPOADSA-N 1 3 240.391 2.066 20 0 BEADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC000376475694 387638257 /nfs/dbraw/zinc/63/82/57/387638257.db2.gz BPNLQFIYHSROMQ-ZIAGYGMSSA-N 1 3 238.375 2.095 20 0 BEADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000376475694 387638259 /nfs/dbraw/zinc/63/82/59/387638259.db2.gz BPNLQFIYHSROMQ-ZIAGYGMSSA-N 1 3 238.375 2.095 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000422732988 387640796 /nfs/dbraw/zinc/64/07/96/387640796.db2.gz PYRVXJHJTPAPFB-VXGBXAGGSA-N 1 3 245.370 2.426 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC000422732920 387640920 /nfs/dbraw/zinc/64/09/20/387640920.db2.gz PVGRUUXSJNIRRH-STQMWFEESA-N 1 3 220.360 2.335 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCCc1ccccc1 ZINC000422732920 387640924 /nfs/dbraw/zinc/64/09/24/387640924.db2.gz PVGRUUXSJNIRRH-STQMWFEESA-N 1 3 220.360 2.335 20 0 BEADHO CCCC[C@@H](CC)C[NH2+][C@@H](C)C1CNC1 ZINC000422741442 387647265 /nfs/dbraw/zinc/64/72/65/387647265.db2.gz DRHQUVFSAKHYDU-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccccc1Cl ZINC000422788515 387652829 /nfs/dbraw/zinc/65/28/29/387652829.db2.gz VMARNGRWBIDXOS-STQMWFEESA-N 1 3 238.762 2.352 20 0 BEADHO C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422752294 387655132 /nfs/dbraw/zinc/65/51/32/387655132.db2.gz DPHCQRGDOJKMDR-KWCYVHTRSA-N 1 3 218.344 2.260 20 0 BEADHO Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422756415 387657456 /nfs/dbraw/zinc/65/74/56/387657456.db2.gz IQYPDOLVNHZAAU-RYUDHWBXSA-N 1 3 206.333 2.210 20 0 BEADHO CSCCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422754752 387657754 /nfs/dbraw/zinc/65/77/54/387657754.db2.gz JZNKIHZJABIPJM-FOSCPWQOSA-N 1 3 228.405 2.002 20 0 BEADHO CCc1ccc(CCN2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430953864 387663340 /nfs/dbraw/zinc/66/33/40/387663340.db2.gz DBSYYHOIQGLIPA-CJNGLKHVSA-N 1 3 246.398 2.461 20 0 BEADHO CC(C)COCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422795070 387695762 /nfs/dbraw/zinc/69/57/62/387695762.db2.gz ZPFIJJYQQFAXNM-KBPBESRZSA-N 1 3 242.407 2.027 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccccc1F ZINC000422766365 387666078 /nfs/dbraw/zinc/66/60/78/387666078.db2.gz PXNOUENBSNTSED-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccccc1F ZINC000422766365 387666082 /nfs/dbraw/zinc/66/60/82/387666082.db2.gz PXNOUENBSNTSED-MNOVXSKESA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@@H](COC)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125971118 387670581 /nfs/dbraw/zinc/67/05/81/387670581.db2.gz MIOZSOGTWIPLKV-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H](COC)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125971118 387670584 /nfs/dbraw/zinc/67/05/84/387670584.db2.gz MIOZSOGTWIPLKV-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO CC[C@@H](COC)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125971118 387670590 /nfs/dbraw/zinc/67/05/90/387670590.db2.gz MIOZSOGTWIPLKV-KBPBESRZSA-N 1 3 242.407 2.121 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCN(C)c1ccccc1 ZINC000422771207 387671102 /nfs/dbraw/zinc/67/11/02/387671102.db2.gz XEHNNMNWXLPJCO-UONOGXRCSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCN(C)c1ccccc1 ZINC000422771207 387671106 /nfs/dbraw/zinc/67/11/06/387671106.db2.gz XEHNNMNWXLPJCO-UONOGXRCSA-N 1 3 249.402 2.228 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc(F)c1 ZINC000422777929 387674814 /nfs/dbraw/zinc/67/48/14/387674814.db2.gz CYCJGSFJIZWGLO-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000422777929 387674820 /nfs/dbraw/zinc/67/48/20/387674820.db2.gz CYCJGSFJIZWGLO-QWRGUYRKSA-N 1 3 224.323 2.084 20 0 BEADHO CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccncc1 ZINC000422782380 387680154 /nfs/dbraw/zinc/68/01/54/387680154.db2.gz LWIVASRYAJXYJD-WZRBSPASSA-N 1 3 221.348 2.248 20 0 BEADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)Cc1cccs1 ZINC000422787679 387686162 /nfs/dbraw/zinc/68/61/62/387686162.db2.gz UWXVEIIILVOPBN-MNOVXSKESA-N 1 3 238.400 2.124 20 0 BEADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)Cc1cccs1 ZINC000422787679 387686167 /nfs/dbraw/zinc/68/61/67/387686167.db2.gz UWXVEIIILVOPBN-MNOVXSKESA-N 1 3 238.400 2.124 20 0 BEADHO C1=CCC(C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000527742478 387686822 /nfs/dbraw/zinc/68/68/22/387686822.db2.gz BQNDOLTUBLAUGA-KBPBESRZSA-N 1 3 220.360 2.169 20 0 BEADHO C1=CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000527742482 387687480 /nfs/dbraw/zinc/68/74/80/387687480.db2.gz BQNDOLTUBLAUGA-UONOGXRCSA-N 1 3 220.360 2.169 20 0 BEADHO C[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000422744191 387689524 /nfs/dbraw/zinc/68/95/24/387689524.db2.gz SOGZBOHENDYSGU-HONMWMINSA-N 1 3 236.334 2.399 20 0 BEADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422743326 387691275 /nfs/dbraw/zinc/69/12/75/387691275.db2.gz TYGDYDWCDJZCDO-OUCADQQQSA-N 1 3 236.359 2.090 20 0 BEADHO C[C@H](Cc1cccs1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000643525501 387747646 /nfs/dbraw/zinc/74/76/46/387747646.db2.gz YXOWWLGUEKBPKA-UTUOFQBUSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@H](Cc1cccs1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000643525501 387747653 /nfs/dbraw/zinc/74/76/53/387747653.db2.gz YXOWWLGUEKBPKA-UTUOFQBUSA-N 1 3 238.400 2.409 20 0 BEADHO C[C@@H](N)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000643525762 387751707 /nfs/dbraw/zinc/75/17/07/387751707.db2.gz FBBSEPCXVSRNCL-BDAKNGLRSA-N 1 3 212.724 2.338 20 0 BEADHO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422878759 387754994 /nfs/dbraw/zinc/75/49/94/387754994.db2.gz KOBJREQDIAOQJS-UONOGXRCSA-N 1 3 234.343 2.055 20 0 BEADHO COCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000045037475 387703516 /nfs/dbraw/zinc/70/35/16/387703516.db2.gz ABVYPXZFGVKVDP-KGLIPLIRSA-N 1 3 242.407 2.123 20 0 BEADHO CO[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C(C)(C)C ZINC000422805390 387704246 /nfs/dbraw/zinc/70/42/46/387704246.db2.gz GPGPHUBJWJUNFY-JHJVBQTASA-N 1 3 242.407 2.297 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NCC1(c2ccccc2)CC1 ZINC000422808427 387708106 /nfs/dbraw/zinc/70/81/06/387708106.db2.gz LDKNQQHAVSBAAC-KBPBESRZSA-N 1 3 230.355 2.188 20 0 BEADHO Cc1ccc2[nH]c(CN[C@@H](C)CCC[NH3+])nc2c1 ZINC000422808687 387709272 /nfs/dbraw/zinc/70/92/72/387709272.db2.gz LIMXSXQTWGXPPV-NSHDSACASA-N 1 3 246.358 2.088 20 0 BEADHO Cc1ccc2nc(CN[C@@H](C)CCC[NH3+])[nH]c2c1 ZINC000422808687 387709274 /nfs/dbraw/zinc/70/92/74/387709274.db2.gz LIMXSXQTWGXPPV-NSHDSACASA-N 1 3 246.358 2.088 20 0 BEADHO CCO[C@H](CC[NH2+][C@H](C)C[C@H](C)N)C(C)C ZINC000422810825 387709309 /nfs/dbraw/zinc/70/93/09/387709309.db2.gz NYJSDEVNFYZRCQ-YNEHKIRRSA-N 1 3 230.396 2.153 20 0 BEADHO CCO[C@H](CC[NH2+][C@H](C)C[C@@H](C)N)C(C)C ZINC000422810823 387709372 /nfs/dbraw/zinc/70/93/72/387709372.db2.gz NYJSDEVNFYZRCQ-JHJVBQTASA-N 1 3 230.396 2.153 20 0 BEADHO CCc1cc(N2C[C@H](C)N(C)C[C@@H]2C)cc[nH+]1 ZINC000450417374 387711286 /nfs/dbraw/zinc/71/12/86/387711286.db2.gz JGOJAWVAXMYLPT-RYUDHWBXSA-N 1 3 233.359 2.173 20 0 BEADHO CCO[C@H](CC[NH2+][C@H]1CCC[C@H]1CN)C(C)C ZINC000422811899 387711376 /nfs/dbraw/zinc/71/13/76/387711376.db2.gz PUSGYKYYWDHIEF-MELADBBJSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)[C@@H](C)c1ccccc1 ZINC000422817837 387715451 /nfs/dbraw/zinc/71/54/51/387715451.db2.gz DXRTWTCVZKKCEA-UPJWGTAASA-N 1 3 232.371 2.376 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCCc1cc(F)ccc1F ZINC000422819855 387716343 /nfs/dbraw/zinc/71/63/43/387716343.db2.gz JCSJIGZPZIAJMX-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cc(F)ccc1F ZINC000422819855 387716350 /nfs/dbraw/zinc/71/63/50/387716350.db2.gz JCSJIGZPZIAJMX-UWVGGRQHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H]([NH2+][C@H]1CCCNCC1)C1CCSCC1 ZINC000643522569 387719515 /nfs/dbraw/zinc/71/95/15/387719515.db2.gz PNMJAISLZFFNCE-AAEUAGOBSA-N 1 3 242.432 2.250 20 0 BEADHO C1CC2(C1)CCC[C@H]2[NH2+][C@H]1CCCNCC1 ZINC000643522771 387722285 /nfs/dbraw/zinc/72/22/85/387722285.db2.gz FFZMVVYBMYRENG-QWHCGFSZSA-N 1 3 222.376 2.441 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H]1C[C@H]1C ZINC000643522967 387723804 /nfs/dbraw/zinc/72/38/04/387723804.db2.gz QSIIMYCWLIVITC-LPWJVIDDSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000422834754 387724796 /nfs/dbraw/zinc/72/47/96/387724796.db2.gz XKQANKHVNIBJFS-JSGCOSHPSA-N 1 3 240.391 2.053 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)[C@H]1CCCN1 ZINC000422839644 387729495 /nfs/dbraw/zinc/72/94/95/387729495.db2.gz RAVSBGBICMONQP-IJLUTSLNSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCc1cc(F)cc(F)c1 ZINC000422842232 387731024 /nfs/dbraw/zinc/73/10/24/387731024.db2.gz FLLRRXQAGPVGRR-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cc(F)cc(F)c1 ZINC000422842232 387731031 /nfs/dbraw/zinc/73/10/31/387731031.db2.gz FLLRRXQAGPVGRR-VHSXEESVSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@H](CC[NH2+][C@H](C)C1CNC1)c1ccccc1 ZINC000422856583 387741068 /nfs/dbraw/zinc/74/10/68/387741068.db2.gz WZNGIVGOFRCUKD-CHWSQXEVSA-N 1 3 232.371 2.378 20 0 BEADHO C[C@H](CCN[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422856583 387741077 /nfs/dbraw/zinc/74/10/77/387741077.db2.gz WZNGIVGOFRCUKD-CHWSQXEVSA-N 1 3 232.371 2.378 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCc2ccccc21 ZINC000422909134 387768690 /nfs/dbraw/zinc/76/86/90/387768690.db2.gz NKBGUJAIULGZMX-NWANDNLSSA-N 1 3 230.355 2.186 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000422910692 387769162 /nfs/dbraw/zinc/76/91/62/387769162.db2.gz RJOOOBGUSGJSIO-DZKIICNBSA-N 1 3 244.382 2.433 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCc2ccccc21 ZINC000422910695 387769911 /nfs/dbraw/zinc/76/99/11/387769911.db2.gz RJOOOBGUSGJSIO-SQWLQELKSA-N 1 3 244.382 2.433 20 0 BEADHO C[C@H](CCc1ccc(F)cc1)NC[C@H](C)[NH3+] ZINC000643529032 387772778 /nfs/dbraw/zinc/77/27/78/387772778.db2.gz SZELAAFIKWTLKJ-WDEREUQCSA-N 1 3 224.323 2.084 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422921476 387775050 /nfs/dbraw/zinc/77/50/50/387775050.db2.gz QANUJSFTBZQRPO-STQMWFEESA-N 1 3 224.392 2.400 20 0 BEADHO C[C@H](N)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000643528123 387775217 /nfs/dbraw/zinc/77/52/17/387775217.db2.gz ZURQWIBPBRONHM-ZANVPECISA-N 1 3 222.307 2.140 20 0 BEADHO CC(C)C1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422921474 387776148 /nfs/dbraw/zinc/77/61/48/387776148.db2.gz QANUJSFTBZQRPO-OLZOCXBDSA-N 1 3 224.392 2.400 20 0 BEADHO Cc1cccc(CC[C@H](C)NC[C@H](C)[NH3+])c1 ZINC000643529382 387777626 /nfs/dbraw/zinc/77/76/26/387777626.db2.gz ZBXOFGVXRLTGHV-STQMWFEESA-N 1 3 220.360 2.253 20 0 BEADHO Cc1cc(C)cc(C[C@@H](C)[NH2+][C@@H](C)C2CNC2)c1 ZINC000422923155 387777988 /nfs/dbraw/zinc/77/79/88/387777988.db2.gz RHFKXHXBMASYFE-KGLIPLIRSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1cc(C)cc(C[C@@H](C)N[C@@H](C)C2C[NH2+]C2)c1 ZINC000422923155 387777991 /nfs/dbraw/zinc/77/79/91/387777991.db2.gz RHFKXHXBMASYFE-KGLIPLIRSA-N 1 3 246.398 2.432 20 0 BEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC(C)C1 ZINC000422922233 387778511 /nfs/dbraw/zinc/77/85/11/387778511.db2.gz SGSSBYONSPPCBD-HTLISINNSA-N 1 3 232.371 2.333 20 0 BEADHO Cc1cccc(OCCN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422927841 387779338 /nfs/dbraw/zinc/77/93/38/387779338.db2.gz HIFDBGHWULVIKX-CHWSQXEVSA-N 1 3 236.359 2.089 20 0 BEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000422937758 387783643 /nfs/dbraw/zinc/78/36/43/387783643.db2.gz OPWOBFKZMOXHQJ-WCQYABFASA-N 1 3 222.376 2.154 20 0 BEADHO CCOc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422901483 387785377 /nfs/dbraw/zinc/78/53/77/387785377.db2.gz LAPXVQVHBZCESG-NEPJUHHUSA-N 1 3 236.359 2.301 20 0 BEADHO N[C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000422981030 387791808 /nfs/dbraw/zinc/79/18/08/387791808.db2.gz RXHRYCQCUGFETI-AMVTZNPPSA-N 1 3 216.328 2.169 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000422986711 387795207 /nfs/dbraw/zinc/79/52/07/387795207.db2.gz HENDSFOIGIUVQS-UPJWGTAASA-N 1 3 208.349 2.073 20 0 BEADHO C[C@@H]([NH2+]CC1C2CC3CC(C2)CC1C3)C1CNC1 ZINC000422989777 387798199 /nfs/dbraw/zinc/79/81/99/387798199.db2.gz MMBSVLBSSPRZCD-YVWFZZAJSA-N 1 3 248.414 2.256 20 0 BEADHO C[C@@H](N[C@H]1CC=CCC1)[C@H]1CCCC[NH2+]1 ZINC000422990515 387799633 /nfs/dbraw/zinc/79/96/33/387799633.db2.gz NQUMITAELWXBJG-FRRDWIJNSA-N 1 3 208.349 2.215 20 0 BEADHO FC1(F)CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422992864 387800688 /nfs/dbraw/zinc/80/06/88/387800688.db2.gz RUZGISCUHBKAFF-PSIUFMSWSA-N 1 3 244.329 2.437 20 0 BEADHO CC[C@H](N[C@H]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000422997682 387801608 /nfs/dbraw/zinc/80/16/08/387801608.db2.gz VHFJSTCRFOQMQE-AVGNSLFASA-N 1 3 208.349 2.215 20 0 BEADHO CC[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CCCN1 ZINC000422997682 387801612 /nfs/dbraw/zinc/80/16/12/387801612.db2.gz VHFJSTCRFOQMQE-AVGNSLFASA-N 1 3 208.349 2.215 20 0 BEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000422994484 387802624 /nfs/dbraw/zinc/80/26/24/387802624.db2.gz HVWWTTNLNQOXOJ-UKRRQHHQSA-N 1 3 247.386 2.121 20 0 BEADHO CCC(CC)[C@@H](CC[NH2+][C@H](C)C1CNC1)OC ZINC000422995561 387802869 /nfs/dbraw/zinc/80/28/69/387802869.db2.gz KJJJPETUQVBIJO-BXUZGUMPSA-N 1 3 242.407 2.025 20 0 BEADHO CCC(CC)[C@@H](CCN[C@H](C)C1C[NH2+]C1)OC ZINC000422995561 387802870 /nfs/dbraw/zinc/80/28/70/387802870.db2.gz KJJJPETUQVBIJO-BXUZGUMPSA-N 1 3 242.407 2.025 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000422995790 387803012 /nfs/dbraw/zinc/80/30/12/387803012.db2.gz ZEUSMBDFXHKKBQ-HBNTYKKESA-N 1 3 232.318 2.281 20 0 BEADHO COc1cccc(CCCN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422949484 387808150 /nfs/dbraw/zinc/80/81/50/387808150.db2.gz VGFBBEZNNWKGEH-LSDHHAIUSA-N 1 3 248.370 2.097 20 0 BEADHO CC[C@@H](NC[C@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422954597 387808844 /nfs/dbraw/zinc/80/88/44/387808844.db2.gz JGGUCRXLEQXDSP-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]([NH2+]C[C@H]1CC1(C)C)[C@@H]1CCCN1 ZINC000422954597 387808847 /nfs/dbraw/zinc/80/88/47/387808847.db2.gz JGGUCRXLEQXDSP-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H](NC[C@@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 ZINC000422954773 387809830 /nfs/dbraw/zinc/80/98/30/387809830.db2.gz JQHZTZLVKPOQFY-GRYCIOLGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCC1 ZINC000422954235 387809886 /nfs/dbraw/zinc/80/98/86/387809886.db2.gz HKQXHESKKIICEW-SMDDNHRTSA-N 1 3 218.344 2.087 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc(F)c1F ZINC000422961014 387811110 /nfs/dbraw/zinc/81/11/10/387811110.db2.gz YDRJDAAVLFPSGC-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc(F)c1F ZINC000422961014 387811113 /nfs/dbraw/zinc/81/11/13/387811113.db2.gz YDRJDAAVLFPSGC-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccc(F)cc1F ZINC000643526573 387758443 /nfs/dbraw/zinc/75/84/43/387758443.db2.gz BFWXGWINYBMURD-NXEZZACHSA-N 1 3 242.313 2.223 20 0 BEADHO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)C2CNC2)c(C)c1 ZINC000422886253 387759305 /nfs/dbraw/zinc/75/93/05/387759305.db2.gz INVWIWMMJBINOT-KBPBESRZSA-N 1 3 246.398 2.432 20 0 BEADHO Cc1ccc(C[C@H](C)N[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000422886253 387759309 /nfs/dbraw/zinc/75/93/09/387759309.db2.gz INVWIWMMJBINOT-KBPBESRZSA-N 1 3 246.398 2.432 20 0 BEADHO CC[C@@H](Cc1cccs1)NC[C@@H](C)[NH3+] ZINC000643526862 387761266 /nfs/dbraw/zinc/76/12/66/387761266.db2.gz AUTONPBYJQLUJJ-ZJUUUORDSA-N 1 3 212.362 2.006 20 0 BEADHO FC(F)(F)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422971944 387820578 /nfs/dbraw/zinc/82/05/78/387820578.db2.gz ZEOXYZYVAZGQLP-ULKQDVFKSA-N 1 3 236.281 2.202 20 0 BEADHO C[C@H]([NH2+]CCCCc1ccccc1)C1CNC1 ZINC000643458233 387821224 /nfs/dbraw/zinc/82/12/24/387821224.db2.gz CBBFINYKQZEZDB-ZDUSSCGKSA-N 1 3 232.371 2.207 20 0 BEADHO CCCC(O)(CCC)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422974980 387823622 /nfs/dbraw/zinc/82/36/22/387823622.db2.gz FVTBDCJFIAHTPN-CHWSQXEVSA-N 1 3 242.407 2.035 20 0 BEADHO Cc1cc(C)c(CCN[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000423006763 387827941 /nfs/dbraw/zinc/82/79/41/387827941.db2.gz WHKSAVAFSLFWET-AWEZNQCLSA-N 1 3 246.398 2.352 20 0 BEADHO Cc1cc(C)c(CC[NH2+][C@@H](C)C2CNC2)c(C)c1 ZINC000423006763 387827944 /nfs/dbraw/zinc/82/79/44/387827944.db2.gz WHKSAVAFSLFWET-AWEZNQCLSA-N 1 3 246.398 2.352 20 0 BEADHO CCCC[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000442722569 387828222 /nfs/dbraw/zinc/82/82/22/387828222.db2.gz XQEBQPKIZJUNTH-ZWNOBZJWSA-N 1 3 249.358 2.162 20 0 BEADHO Cc1ccsc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000423014952 387838156 /nfs/dbraw/zinc/83/81/56/387838156.db2.gz JPAIKTYFRSYIRM-WDEREUQCSA-N 1 3 226.389 2.314 20 0 BEADHO Cc1ccsc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000423014952 387838159 /nfs/dbraw/zinc/83/81/59/387838159.db2.gz JPAIKTYFRSYIRM-WDEREUQCSA-N 1 3 226.389 2.314 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1CCC(F)(F)CC1 ZINC000423015257 387838494 /nfs/dbraw/zinc/83/84/94/387838494.db2.gz QOQQNVUDZJXWSN-DTWKUNHWSA-N 1 3 220.307 2.280 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000423029075 387845275 /nfs/dbraw/zinc/84/52/75/387845275.db2.gz HPCLHZDZBVWAPZ-UPJWGTAASA-N 1 3 242.432 2.250 20 0 BEADHO COCCC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423030336 387846715 /nfs/dbraw/zinc/84/67/15/387846715.db2.gz BIDZIYZIBICQPI-CHWSQXEVSA-N 1 3 242.407 2.027 20 0 BEADHO CS[C@H](C[NH2+][C@H](C)C[C@H](C)N)C(C)(C)C ZINC000423037038 387850537 /nfs/dbraw/zinc/85/05/37/387850537.db2.gz VIQTWEWDSXPMMS-HBNTYKKESA-N 1 3 232.437 2.480 20 0 BEADHO CS[C@H](CN[C@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000423037038 387850540 /nfs/dbraw/zinc/85/05/40/387850540.db2.gz VIQTWEWDSXPMMS-HBNTYKKESA-N 1 3 232.437 2.480 20 0 BEADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCS1 ZINC000423037463 387850776 /nfs/dbraw/zinc/85/07/76/387850776.db2.gz VZNVQULMNNASET-HNGCFSAESA-N 1 3 240.416 2.145 20 0 BEADHO CS[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C(C)(C)C ZINC000423038979 387852726 /nfs/dbraw/zinc/85/27/26/387852726.db2.gz ZKLSFPRWHKQNJU-IJLUTSLNSA-N 1 3 244.448 2.481 20 0 BEADHO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C1CNC1 ZINC000423040756 387854009 /nfs/dbraw/zinc/85/40/09/387854009.db2.gz VCBOQZMLLBIDSY-DCQANWLSSA-N 1 3 210.365 2.009 20 0 BEADHO CC(C)O[C@@H]1C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000423053760 387862063 /nfs/dbraw/zinc/86/20/63/387862063.db2.gz SVRFRCIVXBATDV-WUHRBBMRSA-N 1 3 242.407 2.294 20 0 BEADHO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)C1(C)C ZINC000423053760 387862066 /nfs/dbraw/zinc/86/20/66/387862066.db2.gz SVRFRCIVXBATDV-WUHRBBMRSA-N 1 3 242.407 2.294 20 0 BEADHO CC(C)O[C@H]1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000423053758 387862572 /nfs/dbraw/zinc/86/25/72/387862572.db2.gz SVRFRCIVXBATDV-CYDGBPFRSA-N 1 3 242.407 2.294 20 0 BEADHO CC(C)O[C@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1(C)C ZINC000423053758 387862575 /nfs/dbraw/zinc/86/25/75/387862575.db2.gz SVRFRCIVXBATDV-CYDGBPFRSA-N 1 3 242.407 2.294 20 0 BEADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423056961 387863058 /nfs/dbraw/zinc/86/30/58/387863058.db2.gz YMNWYHWVEPYEAV-BBBLOLIVSA-N 1 3 238.297 2.292 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)C(F)(F)F ZINC000423056961 387863065 /nfs/dbraw/zinc/86/30/65/387863065.db2.gz YMNWYHWVEPYEAV-BBBLOLIVSA-N 1 3 238.297 2.292 20 0 BEADHO c1cc2c(o1)CCC[C@@H]2N[C@H]1CC12CC[NH2+]CC2 ZINC000643535588 387864089 /nfs/dbraw/zinc/86/40/89/387864089.db2.gz NJEMWYNBWLKPQT-JSGCOSHPSA-N 1 3 246.354 2.389 20 0 BEADHO Cc1cncc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000643535841 387865374 /nfs/dbraw/zinc/86/53/74/387865374.db2.gz PJMPRACDDYCWRD-OCCSQVGLSA-N 1 3 245.370 2.183 20 0 BEADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000423060604 387865622 /nfs/dbraw/zinc/86/56/22/387865622.db2.gz IOQNHHSXIVDSAY-BARDWOONSA-N 1 3 246.354 2.024 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@H]1CCOC[C@@H]1[C@H](C)N ZINC000423059055 387865860 /nfs/dbraw/zinc/86/58/60/387865860.db2.gz KVPNHXQPODWRSN-XQQFMLRXSA-N 1 3 242.407 2.011 20 0 BEADHO CC(C)C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423060313 387866083 /nfs/dbraw/zinc/86/60/83/387866083.db2.gz OEJPINXTEWDOLP-MNOVXSKESA-N 1 3 200.370 2.384 20 0 BEADHO CC(C)C(C[NH2+][C@@H](C)C1CNC1)C(C)C ZINC000423073241 387874833 /nfs/dbraw/zinc/87/48/33/387874833.db2.gz RBCWLGHPGCXTGP-NSHDSACASA-N 1 3 212.381 2.112 20 0 BEADHO C[C@@H](CCc1ccco1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422967863 387816645 /nfs/dbraw/zinc/81/66/45/387816645.db2.gz UOSKPIPMNLOPRQ-ICIURTGMSA-N 1 3 248.370 2.473 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423103005 387889537 /nfs/dbraw/zinc/88/95/37/387889537.db2.gz FWRRGSRNMJPVPV-NEPJUHHUSA-N 1 3 228.355 2.246 20 0 BEADHO [NH3+]C[C@@H]1CCC[C@H]1NCC1(C(F)(F)F)CC1 ZINC000423104180 387889794 /nfs/dbraw/zinc/88/97/94/387889794.db2.gz GUVDPRPIQRCVPG-DTWKUNHWSA-N 1 3 236.281 2.046 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423104180 387889797 /nfs/dbraw/zinc/88/97/97/387889797.db2.gz GUVDPRPIQRCVPG-DTWKUNHWSA-N 1 3 236.281 2.046 20 0 BEADHO C[C@@H](N[C@H]1CCC1(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423109977 387892760 /nfs/dbraw/zinc/89/27/60/387892760.db2.gz OHHNMWGJKIJTPJ-WOPDTQHZSA-N 1 3 210.365 2.295 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(C(F)(F)F)CCC1 ZINC000423111865 387896214 /nfs/dbraw/zinc/89/62/14/387896214.db2.gz RABOSKXSZDCJKM-RKDXNWHRSA-N 1 3 238.297 2.434 20 0 BEADHO CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1ccccc1 ZINC000423089070 387880667 /nfs/dbraw/zinc/88/06/67/387880667.db2.gz RNUHYBCHOUAMFT-RRFJBIMHSA-N 1 3 248.370 2.234 20 0 BEADHO C[C@H](NCCC1(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423088362 387880709 /nfs/dbraw/zinc/88/07/09/387880709.db2.gz RRWPZKRVDUDGCK-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@@H]([NH3+])CN[C@@H](CC)Cc1cccs1 ZINC000643540330 387880940 /nfs/dbraw/zinc/88/09/40/387880940.db2.gz YNBYXVSRFRSLJN-MNOVXSKESA-N 1 3 226.389 2.396 20 0 BEADHO CSC1(C[NH2+][C@H]2CCNCC[C@H]2C)CCC1 ZINC000423086185 387881092 /nfs/dbraw/zinc/88/10/92/387881092.db2.gz LMOKRNSDDNXTCR-NEPJUHHUSA-N 1 3 242.432 2.250 20 0 BEADHO CCO[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1ccccc1 ZINC000423089068 387881718 /nfs/dbraw/zinc/88/17/18/387881718.db2.gz RNUHYBCHOUAMFT-QLFBSQMISA-N 1 3 248.370 2.234 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000423118018 387898517 /nfs/dbraw/zinc/89/85/17/387898517.db2.gz YHOFMQQFMPKYHH-AVGNSLFASA-N 1 3 240.391 2.051 20 0 BEADHO COC1CCC(C)(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000423089852 387882939 /nfs/dbraw/zinc/88/29/39/387882939.db2.gz WDTFONJYSSFSDF-KBHBFKLGSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CCCNC1 ZINC000423092752 387882988 /nfs/dbraw/zinc/88/29/88/387882988.db2.gz DHAXNBNCIJTJHK-DOERSZECSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CCCNC1 ZINC000423092754 387883730 /nfs/dbraw/zinc/88/37/30/387883730.db2.gz DHAXNBNCIJTJHK-SCUASFONSA-N 1 3 222.376 2.153 20 0 BEADHO CC(C)SCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423101154 387886498 /nfs/dbraw/zinc/88/64/98/387886498.db2.gz CNXDVMJXDKUEHC-NEPJUHHUSA-N 1 3 230.421 2.106 20 0 BEADHO CC(C)SCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423101154 387886503 /nfs/dbraw/zinc/88/65/03/387886503.db2.gz CNXDVMJXDKUEHC-NEPJUHHUSA-N 1 3 230.421 2.106 20 0 BEADHO Cc1cccc(CCC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000423100158 387886922 /nfs/dbraw/zinc/88/69/22/387886922.db2.gz GJVIGPILYRZDQH-ZFWWWQNUSA-N 1 3 247.386 2.040 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423098110 387888009 /nfs/dbraw/zinc/88/80/09/387888009.db2.gz KGFUOJPHXGRNSK-XJFOESAGSA-N 1 3 224.392 2.400 20 0 BEADHO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)[C@@H]1C)C1CNC1 ZINC000423101644 387888805 /nfs/dbraw/zinc/88/88/05/387888805.db2.gz WEFRXSNJZQOQKI-YVECIDJPSA-N 1 3 224.392 2.256 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000423121495 387900355 /nfs/dbraw/zinc/90/03/55/387900355.db2.gz INSHYGMRFVLSBC-STQMWFEESA-N 1 3 242.407 2.156 20 0 BEADHO CCOCC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423121173 387900511 /nfs/dbraw/zinc/90/05/11/387900511.db2.gz IDEHMAXNKITTJC-CHWSQXEVSA-N 1 3 242.407 2.027 20 0 BEADHO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423121492 387901351 /nfs/dbraw/zinc/90/13/51/387901351.db2.gz INSHYGMRFVLSBC-CHWSQXEVSA-N 1 3 242.407 2.156 20 0 BEADHO C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C1CNC1 ZINC000423126765 387904548 /nfs/dbraw/zinc/90/45/48/387904548.db2.gz IYLHNRUWXVOKLH-SNVBAGLBSA-N 1 3 212.381 2.256 20 0 BEADHO CC[C@H](N[C@@H]1CC[C@H](F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423129217 387906933 /nfs/dbraw/zinc/90/69/33/387906933.db2.gz QWFFHISOUWFSEM-RNJOBUHISA-N 1 3 228.355 2.387 20 0 BEADHO CC[C@@H](NC[C@@H]1CCCSC1)[C@@H]1CCC[NH2+]1 ZINC000423131946 387908736 /nfs/dbraw/zinc/90/87/36/387908736.db2.gz UCNVGRSOGZHSNI-XQQFMLRXSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](N[C@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000423138923 387915680 /nfs/dbraw/zinc/91/56/80/387915680.db2.gz YVEBUJKQOROWDE-DQRRXLOISA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)[C@H]1CCCN1 ZINC000423138923 387915685 /nfs/dbraw/zinc/91/56/85/387915685.db2.gz YVEBUJKQOROWDE-DQRRXLOISA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C1CNC1 ZINC000423151854 387929262 /nfs/dbraw/zinc/92/92/62/387929262.db2.gz CZZSZLWGRCNWHX-IJLUTSLNSA-N 1 3 210.365 2.010 20 0 BEADHO Cc1cccnc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423151966 387930665 /nfs/dbraw/zinc/93/06/65/387930665.db2.gz LAJIHAIZTSXXRZ-DZGCQCFKSA-N 1 3 247.386 2.182 20 0 BEADHO Cc1cccnc1CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423155545 387934430 /nfs/dbraw/zinc/93/44/30/387934430.db2.gz QQWMARWJKGRSLO-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1cccnc1C(C)(C)CNC1CC[NH2+]CC1 ZINC000423143563 387920899 /nfs/dbraw/zinc/92/08/99/387920899.db2.gz XHWRJYYBTPRIJE-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO Cc1cccnc1C(C)(C)C[NH2+]C1CCNCC1 ZINC000423143563 387920901 /nfs/dbraw/zinc/92/09/01/387920901.db2.gz XHWRJYYBTPRIJE-UHFFFAOYSA-N 1 3 247.386 2.009 20 0 BEADHO CC(F)(F)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423142943 387921105 /nfs/dbraw/zinc/92/11/05/387921105.db2.gz BVSJGFSMWRUCRX-NXEZZACHSA-N 1 3 220.307 2.281 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC1(F)F ZINC000423146641 387921718 /nfs/dbraw/zinc/92/17/18/387921718.db2.gz BAGKFZYVMDYAIM-AEJSXWLSSA-N 1 3 220.307 2.137 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC(C)(F)F ZINC000423145039 387923251 /nfs/dbraw/zinc/92/32/51/387923251.db2.gz ITUGVDSJMWHURG-NXEZZACHSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC(C)(F)F ZINC000423145039 387923252 /nfs/dbraw/zinc/92/32/52/387923252.db2.gz ITUGVDSJMWHURG-NXEZZACHSA-N 1 3 220.307 2.009 20 0 BEADHO C[C@H]1C[C@H](NCCOC2CCCC2)CC[N@@H+]1C ZINC000156146970 387925922 /nfs/dbraw/zinc/92/59/22/387925922.db2.gz RUICNPXDCJYEDF-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C[C@H]1C[C@H](NCCOC2CCCC2)CC[N@H+]1C ZINC000156146970 387925925 /nfs/dbraw/zinc/92/59/25/387925925.db2.gz RUICNPXDCJYEDF-QWHCGFSZSA-N 1 3 240.391 2.018 20 0 BEADHO C1[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1C1CCC1 ZINC000424198610 387926386 /nfs/dbraw/zinc/92/63/86/387926386.db2.gz PQURWEDGUAXOBI-CBBWQLFWSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C1CCC1 ZINC000424198610 387926390 /nfs/dbraw/zinc/92/63/90/387926390.db2.gz PQURWEDGUAXOBI-CBBWQLFWSA-N 1 3 234.387 2.391 20 0 BEADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423170242 387954296 /nfs/dbraw/zinc/95/42/96/387954296.db2.gz XODAPFOZHRVMIF-IGQOVBAYSA-N 1 3 240.391 2.050 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)C1CNC1 ZINC000423168706 387954657 /nfs/dbraw/zinc/95/46/57/387954657.db2.gz HYRVUPQRWCCGIA-JKOKRWQUSA-N 1 3 222.376 2.010 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CC(F)(F)C1 ZINC000423169157 387954901 /nfs/dbraw/zinc/95/49/01/387954901.db2.gz VOKSMTRCNBCBTC-JQWIXIFHSA-N 1 3 246.345 2.400 20 0 BEADHO CC[C@]1(C(C)C)C[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423169466 387955229 /nfs/dbraw/zinc/95/52/29/387955229.db2.gz VXEJGOWTWGCOCB-RAIGVLPGSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@]1(C(C)C)C[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000423169466 387955233 /nfs/dbraw/zinc/95/52/33/387955233.db2.gz VXEJGOWTWGCOCB-RAIGVLPGSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@H](NC[C@@H]1C[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423170272 387956158 /nfs/dbraw/zinc/95/61/58/387956158.db2.gz XQYZSSYQQLKKCP-DOERSZECSA-N 1 3 222.376 2.153 20 0 BEADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)nc1 ZINC000423162662 387943211 /nfs/dbraw/zinc/94/32/11/387943211.db2.gz LLBNHWNAADXRAW-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO Cc1ccc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000423162662 387943217 /nfs/dbraw/zinc/94/32/17/387943217.db2.gz LLBNHWNAADXRAW-UKRRQHHQSA-N 1 3 247.386 2.040 20 0 BEADHO CCC1([NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000423163983 387944839 /nfs/dbraw/zinc/94/48/39/387944839.db2.gz WIOSOXVAQQAHAJ-NSHDSACASA-N 1 3 233.359 2.442 20 0 BEADHO CCC[C@@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000423164627 387948287 /nfs/dbraw/zinc/94/82/87/387948287.db2.gz XGUKXFFGNJBZKZ-ZYHUDNBSSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423166483 387949725 /nfs/dbraw/zinc/94/97/25/387949725.db2.gz CSVKKRJCNDOKLI-YJNKXOJESA-N 1 3 246.354 2.288 20 0 BEADHO CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000423171891 387959145 /nfs/dbraw/zinc/95/91/45/387959145.db2.gz QLCKASQGBRMOCL-AZHAFVHUSA-N 1 3 248.370 2.014 20 0 BEADHO C[C@@H]([NH2+]C1(C2CCC2)CCC1)[C@H]1CCCN1 ZINC000423172669 387959921 /nfs/dbraw/zinc/95/99/21/387959921.db2.gz UPZLVGGQCCFCFS-DGCLKSJQSA-N 1 3 222.376 2.439 20 0 BEADHO N[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000423171533 387960288 /nfs/dbraw/zinc/96/02/88/387960288.db2.gz OVLASXNPMJYUQO-DOERSZECSA-N 1 3 234.318 2.151 20 0 BEADHO C[C@H](Cc1ccoc1)[NH2+]CC1(N)CCCCC1 ZINC000423175064 387961294 /nfs/dbraw/zinc/96/12/94/387961294.db2.gz CSWKIJRZLPUNON-GFCCVEGCSA-N 1 3 236.359 2.462 20 0 BEADHO Cc1ccc2c(c1)[C@H](NCCC[NH3+])[C@H](C)C2 ZINC000423179941 387966726 /nfs/dbraw/zinc/96/67/26/387966726.db2.gz DOUCHXGZAQTHSF-BXUZGUMPSA-N 1 3 218.344 2.167 20 0 BEADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423185529 387969453 /nfs/dbraw/zinc/96/94/53/387969453.db2.gz NWHYQZPCQCSSIM-QNWHQSFQSA-N 1 3 234.343 2.243 20 0 BEADHO NCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000423193914 387980628 /nfs/dbraw/zinc/98/06/28/387980628.db2.gz QZVOJWFFACVTDQ-KBPBESRZSA-N 1 3 218.344 2.261 20 0 BEADHO CCN1CC[C@@H]([N@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748987 387980946 /nfs/dbraw/zinc/98/09/46/387980946.db2.gz NLSGIZXCDASZHO-DZGCQCFKSA-N 1 3 249.402 2.187 20 0 BEADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccn2C)[C@@H](C)C1 ZINC000245748987 387980950 /nfs/dbraw/zinc/98/09/50/387980950.db2.gz NLSGIZXCDASZHO-DZGCQCFKSA-N 1 3 249.402 2.187 20 0 BEADHO C[C@@H]([NH2+]CCCN)C1CCC(F)(F)CC1 ZINC000423196771 387981204 /nfs/dbraw/zinc/98/12/04/387981204.db2.gz WELYDCBNAAKOCY-SECBINFHSA-N 1 3 220.307 2.139 20 0 BEADHO CC(C)(C[NH2+][C@H]1CCC[C@@H]1CN)c1cccnc1 ZINC000423196499 387981263 /nfs/dbraw/zinc/98/12/63/387981263.db2.gz ZVVPLCTWUUERAA-OCCSQVGLSA-N 1 3 247.386 2.076 20 0 BEADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCCCC2)[C@@H](C)O1 ZINC000423204552 387989073 /nfs/dbraw/zinc/98/90/73/387989073.db2.gz URJYHAJBJJWZTG-JHJVBQTASA-N 1 3 240.391 2.194 20 0 BEADHO FCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423204734 387991300 /nfs/dbraw/zinc/99/13/00/387991300.db2.gz DQAUTQNQFMKAAC-HZSPNIEDSA-N 1 3 242.382 2.494 20 0 BEADHO CO[C@H](C)[C@H](C)NCC1([NH3+])CCCCCC1 ZINC000423207687 387992832 /nfs/dbraw/zinc/99/28/32/387992832.db2.gz YEFLYOSHUCXCGT-NWDGAFQWSA-N 1 3 228.380 2.051 20 0 BEADHO CO[C@H](C)[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423207687 387992838 /nfs/dbraw/zinc/99/28/38/387992838.db2.gz YEFLYOSHUCXCGT-NWDGAFQWSA-N 1 3 228.380 2.051 20 0 BEADHO CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000250785081 135058776 /nfs/dbraw/zinc/05/87/76/135058776.db2.gz VUYFQPMJLFLXLU-AAEUAGOBSA-N 1 3 212.381 2.482 20 0 BEADHO CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000250785081 135058779 /nfs/dbraw/zinc/05/87/79/135058779.db2.gz VUYFQPMJLFLXLU-AAEUAGOBSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@H]([NH2+]CCCN)[C@@H]1C[C@H]1c1ccccc1 ZINC000423196237 387982301 /nfs/dbraw/zinc/98/23/01/387982301.db2.gz UXTKUBYUAFPHCU-UBHSHLNASA-N 1 3 218.344 2.117 20 0 BEADHO C[C@@H]([NH2+]CC1(N)CCCCCC1)[C@@H]1CCCO1 ZINC000423198819 387983961 /nfs/dbraw/zinc/98/39/61/387983961.db2.gz ICHQBGINITYKHA-OLZOCXBDSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@@H](NCC1([NH3+])CCCCCC1)[C@@H]1CCCO1 ZINC000423198819 387983964 /nfs/dbraw/zinc/98/39/64/387983964.db2.gz ICHQBGINITYKHA-OLZOCXBDSA-N 1 3 240.391 2.195 20 0 BEADHO C[NH2+]CCCN[C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000423198065 387984177 /nfs/dbraw/zinc/98/41/77/387984177.db2.gz CUIFOYQCGAXFIM-STQMWFEESA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCSCC1 ZINC000423210083 387995683 /nfs/dbraw/zinc/99/56/83/387995683.db2.gz JPJSTADEPCQPIE-NWDGAFQWSA-N 1 3 242.432 2.107 20 0 BEADHO CNCCC[NH2+]C1CCc2ccccc2CC1 ZINC000423199142 387985361 /nfs/dbraw/zinc/98/53/61/387985361.db2.gz JFNVBXZWYIXKIO-UHFFFAOYSA-N 1 3 232.371 2.133 20 0 BEADHO CCCCO[C@H]1C[C@@H](NCCC[NH2+]C)C1(C)C ZINC000423200344 387986288 /nfs/dbraw/zinc/98/62/88/387986288.db2.gz LXVJLUUHBZJCRI-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424372768 387997851 /nfs/dbraw/zinc/99/78/51/387997851.db2.gz HLBQDHXIWJQNFE-MXAVVETBSA-N 1 3 236.403 2.400 20 0 BEADHO C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C1CCC1 ZINC000424373905 387998946 /nfs/dbraw/zinc/99/89/46/387998946.db2.gz KEIKBFGTMZUJMR-PJIALRRASA-N 1 3 220.360 2.048 20 0 BEADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(C)CC1 ZINC000423216753 387999232 /nfs/dbraw/zinc/99/92/32/387999232.db2.gz QSWMLVAIXOTDBV-YIBTVLSRSA-N 1 3 208.349 2.048 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423216866 387999444 /nfs/dbraw/zinc/99/94/44/387999444.db2.gz PFUIWXFGHZXKSF-LOWDOPEQSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H](c1cccnc1)C1CCC1 ZINC000423222767 388003640 /nfs/dbraw/zinc/00/36/40/388003640.db2.gz CMDYSHYOCTTXBN-SMDDNHRTSA-N 1 3 233.359 2.250 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000423222610 388004649 /nfs/dbraw/zinc/00/46/49/388004649.db2.gz BWBHQLGZYHKXKX-GXFFZTMASA-N 1 3 210.365 2.282 20 0 BEADHO COc1ccc2c(c1)[C@H](NCC[C@H](C)[NH3+])CC2 ZINC000423224582 388006250 /nfs/dbraw/zinc/00/62/50/388006250.db2.gz CMUGYABGEVLKHR-IINYFYTJSA-N 1 3 234.343 2.009 20 0 BEADHO CCCCO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423225233 388007364 /nfs/dbraw/zinc/00/73/64/388007364.db2.gz LURWZBYMPMUOIV-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO CCCCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423225233 388007365 /nfs/dbraw/zinc/00/73/65/388007365.db2.gz LURWZBYMPMUOIV-YNEHKIRRSA-N 1 3 242.407 2.297 20 0 BEADHO C[C@H]([NH3+])CCN[C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423227039 388011820 /nfs/dbraw/zinc/01/18/20/388011820.db2.gz UAPHKEQGWBLEJT-PKFCDNJMSA-N 1 3 236.334 2.386 20 0 BEADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423227598 388012131 /nfs/dbraw/zinc/01/21/31/388012131.db2.gz WIEGCMDNNHYPJE-QJPTWQEYSA-N 1 3 216.344 2.232 20 0 BEADHO C[C@H]([NH3+])CCN[C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000423227037 388012153 /nfs/dbraw/zinc/01/21/53/388012153.db2.gz UAPHKEQGWBLEJT-BHDSKKPTSA-N 1 3 236.334 2.386 20 0 BEADHO CCC[N@H+](C)C[C@H]1CCN(CC2CC2)C1 ZINC000156630543 388013040 /nfs/dbraw/zinc/01/30/40/388013040.db2.gz WDLWPLOVQWTOFC-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CC2)C1 ZINC000156630543 388013041 /nfs/dbraw/zinc/01/30/41/388013041.db2.gz WDLWPLOVQWTOFC-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN(C)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000156630543 388013045 /nfs/dbraw/zinc/01/30/45/388013045.db2.gz WDLWPLOVQWTOFC-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000156630543 388013047 /nfs/dbraw/zinc/01/30/47/388013047.db2.gz WDLWPLOVQWTOFC-CYBMUJFWSA-N 1 3 210.365 2.060 20 0 BEADHO C[C@H](CCCc1cccnc1)[NH2+]CC[C@H](C)N ZINC000423228336 388013640 /nfs/dbraw/zinc/01/36/40/388013640.db2.gz ZEQNLSKULSSMPR-QWHCGFSZSA-N 1 3 235.375 2.120 20 0 BEADHO COc1cccc2c1CC[C@@H]2NCC[C@H](C)[NH3+] ZINC000423229648 388015927 /nfs/dbraw/zinc/01/59/27/388015927.db2.gz HMIJQRIAPMJNKP-GWCFXTLKSA-N 1 3 234.343 2.009 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]1CCCF ZINC000423234166 388018902 /nfs/dbraw/zinc/01/89/02/388018902.db2.gz LEIBLOQNITXRID-VXGBXAGGSA-N 1 3 216.344 2.104 20 0 BEADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000423234887 388019170 /nfs/dbraw/zinc/01/91/70/388019170.db2.gz MMEHYDNGAZFZOG-RWMBFGLXSA-N 1 3 212.381 2.400 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423234133 388019426 /nfs/dbraw/zinc/01/94/26/388019426.db2.gz KZYXJYBAGQCFJT-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2)C1 ZINC000423234133 388019428 /nfs/dbraw/zinc/01/94/28/388019428.db2.gz KZYXJYBAGQCFJT-YVECIDJPSA-N 1 3 210.365 2.153 20 0 BEADHO CC[NH2+]CCN[C@H](C)[C@@H]1CCCC[C@H]1C ZINC000423236572 388020553 /nfs/dbraw/zinc/02/05/53/388020553.db2.gz OGVRIXJFZAWJEZ-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CCCC[C@H](C)[C@@H](C)NCC[NH2+]CC ZINC000423239010 388022900 /nfs/dbraw/zinc/02/29/00/388022900.db2.gz RNFVROBRYKPQRF-NWDGAFQWSA-N 1 3 200.370 2.400 20 0 BEADHO CC[NH2+]CCN[C@@H]1CCCC[C@H]1C(C)C ZINC000423253476 388035297 /nfs/dbraw/zinc/03/52/97/388035297.db2.gz ZDWVYSZYDMBKQR-QWHCGFSZSA-N 1 3 212.381 2.400 20 0 BEADHO CC(C)C[C@H](C[NH3+])N[C@H](C)Cc1ccoc1 ZINC000423264314 388042508 /nfs/dbraw/zinc/04/25/08/388042508.db2.gz PVWPOIKFBPPPGZ-DGCLKSJQSA-N 1 3 224.348 2.174 20 0 BEADHO CC(C)O[C@@H]1C[C@@H](NC[C@H]([NH3+])C(C)C)C1(C)C ZINC000423263345 388042633 /nfs/dbraw/zinc/04/26/33/388042633.db2.gz AZMOFQPZXHWVTA-YNEHKIRRSA-N 1 3 242.407 2.151 20 0 BEADHO C[C@H]([NH2+][C@H](CN)C1CC1)c1cc(F)cc(F)c1 ZINC000423272783 388052430 /nfs/dbraw/zinc/05/24/30/388052430.db2.gz IOHYFPOVLZVZHA-ISVAXAHUSA-N 1 3 240.297 2.353 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423275934 388057192 /nfs/dbraw/zinc/05/71/92/388057192.db2.gz MJFSUVQLOXKFAH-RWMBFGLXSA-N 1 3 222.376 2.426 20 0 BEADHO CNC[C@@H](C)C[NH2+]C1CCc2ccccc2CC1 ZINC000423277286 388057722 /nfs/dbraw/zinc/05/77/22/388057722.db2.gz PQCVPESGSMROGA-CYBMUJFWSA-N 1 3 246.398 2.379 20 0 BEADHO CCC1(CC)[C@H](NC[C@H]([NH3+])C(C)C)C[C@H]1OC ZINC000423277652 388057902 /nfs/dbraw/zinc/05/79/02/388057902.db2.gz PPUPOWQEZQOPNN-YNEHKIRRSA-N 1 3 242.407 2.153 20 0 BEADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](N)C(C)C ZINC000423277446 388058929 /nfs/dbraw/zinc/05/89/29/388058929.db2.gz PPSBXRKOBQRMKY-KGLIPLIRSA-N 1 3 248.370 2.255 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000423280280 388062218 /nfs/dbraw/zinc/06/22/18/388062218.db2.gz UISHVJHHUHJQTF-NWDGAFQWSA-N 1 3 212.381 2.400 20 0 BEADHO CCC[C@@H]([NH2+]C[C@H](C)CNC)C1CCC1 ZINC000423280638 388062774 /nfs/dbraw/zinc/06/27/74/388062774.db2.gz VAPKRCHQNGAOLU-DGCLKSJQSA-N 1 3 212.381 2.400 20 0 BEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(C)(C)N ZINC000423281783 388064036 /nfs/dbraw/zinc/06/40/36/388064036.db2.gz BQXRVEQFXBVBHS-AWEZNQCLSA-N 1 3 248.370 2.400 20 0 BEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(C)N ZINC000423287215 388071636 /nfs/dbraw/zinc/07/16/36/388071636.db2.gz KWWZPXVZVLKNQS-YPMHNXCESA-N 1 3 236.359 2.090 20 0 BEADHO CC[C@@H](F)CN1CCC(C[NH+](C)C)CC1 ZINC000440700898 388071850 /nfs/dbraw/zinc/07/18/50/388071850.db2.gz ZLOISITULIOSHG-GFCCVEGCSA-N 1 3 216.344 2.008 20 0 BEADHO CC(C)([NH3+])CN[C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423287674 388072872 /nfs/dbraw/zinc/07/28/72/388072872.db2.gz NVAAYUCKNMYPAY-JSGCOSHPSA-N 1 3 247.386 2.435 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)N)CCC2 ZINC000423290209 388074345 /nfs/dbraw/zinc/07/43/45/388074345.db2.gz ZOYZEUGWVVTTIB-AWEZNQCLSA-N 1 3 248.370 2.400 20 0 BEADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000423289894 388074370 /nfs/dbraw/zinc/07/43/70/388074370.db2.gz BXUABONHVNKOKS-FJJYHAOUSA-N 1 3 248.370 2.362 20 0 BEADHO Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000084218111 388074740 /nfs/dbraw/zinc/07/47/40/388074740.db2.gz AVZBYRCZTWTJEO-UONOGXRCSA-N 1 3 218.344 2.212 20 0 BEADHO CC(C)CO[C@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423290369 388075035 /nfs/dbraw/zinc/07/50/35/388075035.db2.gz ZVPBVTYNUZSPEP-NEPJUHHUSA-N 1 3 242.407 2.153 20 0 BEADHO CC(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1 ZINC000423289578 388075077 /nfs/dbraw/zinc/07/50/77/388075077.db2.gz XTMQYWYBEOAMOQ-JTQLQIEISA-N 1 3 249.358 2.033 20 0 BEADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cc2c(s1)CCC2 ZINC000423294813 388077430 /nfs/dbraw/zinc/07/74/30/388077430.db2.gz CUFCCGPWYUAFDK-VHSXEESVSA-N 1 3 238.400 2.482 20 0 BEADHO Cc1ccc2c(c1)[C@@H](NC[C@H](C)C[NH3+])CCCO2 ZINC000423296883 388078255 /nfs/dbraw/zinc/07/82/55/388078255.db2.gz HWBVQSTUCHIECS-OCCSQVGLSA-N 1 3 248.370 2.393 20 0 BEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(F)cc2)C1 ZINC000086401978 388101312 /nfs/dbraw/zinc/10/13/12/388101312.db2.gz DUWYZRDMEYIYJF-QWHCGFSZSA-N 1 3 222.307 2.185 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2ccccc2)C1 ZINC000086401671 388101679 /nfs/dbraw/zinc/10/16/79/388101679.db2.gz CRTKMMPQFUSCPW-STQMWFEESA-N 1 3 204.317 2.046 20 0 BEADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccnc1 ZINC000086402309 388101718 /nfs/dbraw/zinc/10/17/18/388101718.db2.gz VWNHKFSYIJLCTR-DRZSPHRISA-N 1 3 219.332 2.002 20 0 BEADHO CC(C)[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000324262467 388115797 /nfs/dbraw/zinc/11/57/97/388115797.db2.gz LXTTZTYLJAWNKJ-QWHCGFSZSA-N 1 3 210.365 2.153 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423271208 388048668 /nfs/dbraw/zinc/04/86/68/388048668.db2.gz IRXOIACKTSVQIU-CZUORRHYSA-N 1 3 246.398 2.453 20 0 BEADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](N)C(C)C)CC2 ZINC000423270591 388049979 /nfs/dbraw/zinc/04/99/79/388049979.db2.gz ICSILLFYEPVABM-CABCVRRESA-N 1 3 248.370 2.255 20 0 BEADHO CNC[C@H](C)C[NH2+]C1CCC(CSC)CC1 ZINC000423271655 388050773 /nfs/dbraw/zinc/05/07/73/388050773.db2.gz JEPVDFGAFWMSSY-HIFPTAJRSA-N 1 3 244.448 2.353 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCCC(C)(F)F)[C@@H](C)C1 ZINC000449354693 388179924 /nfs/dbraw/zinc/17/99/24/388179924.db2.gz QMSZPVNBDOJOGQ-WDEREUQCSA-N 1 3 234.334 2.352 20 0 BEADHO CC[N@H+]1CC[C@@H](NCCC(C)(F)F)[C@@H](C)C1 ZINC000449354693 388179925 /nfs/dbraw/zinc/17/99/25/388179925.db2.gz QMSZPVNBDOJOGQ-WDEREUQCSA-N 1 3 234.334 2.352 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccoc2)C1 ZINC000449089320 388140687 /nfs/dbraw/zinc/14/06/87/388140687.db2.gz JWELQWYAMXSTDC-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449089320 388140690 /nfs/dbraw/zinc/14/06/90/388140690.db2.gz JWELQWYAMXSTDC-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)Cc2ccoc2)C1 ZINC000449089320 388140693 /nfs/dbraw/zinc/14/06/93/388140693.db2.gz JWELQWYAMXSTDC-JSGCOSHPSA-N 1 3 236.359 2.142 20 0 BEADHO CCN(CC)CCC[NH2+][C@H](CCO)C(C)(C)C ZINC000191822544 388254694 /nfs/dbraw/zinc/25/46/94/388254694.db2.gz DUXXPCUFABYOLQ-CYBMUJFWSA-N 1 3 244.423 2.105 20 0 BEADHO CC(C)CCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000164659608 388242738 /nfs/dbraw/zinc/24/27/38/388242738.db2.gz VLLGTZBBXFOEDW-STQMWFEESA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000164659608 388242739 /nfs/dbraw/zinc/24/27/39/388242739.db2.gz VLLGTZBBXFOEDW-STQMWFEESA-N 1 3 212.381 2.339 20 0 BEADHO CC(C)CCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164659608 388242742 /nfs/dbraw/zinc/24/27/42/388242742.db2.gz VLLGTZBBXFOEDW-STQMWFEESA-N 1 3 212.381 2.339 20 0 BEADHO CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC1 ZINC000086404243 388348529 /nfs/dbraw/zinc/34/85/29/388348529.db2.gz JWTCIMSZIBUOQC-VXGBXAGGSA-N 1 3 210.365 2.426 20 0 BEADHO CC(C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173595764 388356785 /nfs/dbraw/zinc/35/67/85/388356785.db2.gz VHBGMKUUPDGLDF-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173595764 388356786 /nfs/dbraw/zinc/35/67/86/388356786.db2.gz VHBGMKUUPDGLDF-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO CC(C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173595764 388356790 /nfs/dbraw/zinc/35/67/90/388356790.db2.gz VHBGMKUUPDGLDF-ZDUSSCGKSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H](CN)[NH2+][C@@H]1CCSc2ccccc21 ZINC000235148988 388366203 /nfs/dbraw/zinc/36/62/03/388366203.db2.gz OJXIKAGQLQROLJ-GXSJLCMTSA-N 1 3 222.357 2.160 20 0 BEADHO CC[C@@H](NC1CC[NH+](C)CC1)c1ccncc1 ZINC000163686482 388366550 /nfs/dbraw/zinc/36/65/50/388366550.db2.gz KIEABUFYEMZJCN-CQSZACIVSA-N 1 3 233.359 2.217 20 0 BEADHO [NH3+]CCCCNCc1ccc(F)cc1Cl ZINC000236211333 388378274 /nfs/dbraw/zinc/37/82/74/388378274.db2.gz LPMORWMVYIHQLB-UHFFFAOYSA-N 1 3 230.714 2.308 20 0 BEADHO CCc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336673902 388461273 /nfs/dbraw/zinc/46/12/73/388461273.db2.gz OVTNHVDXOIUFED-NWDGAFQWSA-N 1 3 220.360 2.494 20 0 BEADHO CCc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336673903 388461590 /nfs/dbraw/zinc/46/15/90/388461590.db2.gz OVTNHVDXOIUFED-RYUDHWBXSA-N 1 3 220.360 2.494 20 0 BEADHO CCOc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336705561 388465005 /nfs/dbraw/zinc/46/50/05/388465005.db2.gz LCOPWXNACSVPQR-NWDGAFQWSA-N 1 3 236.359 2.331 20 0 BEADHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725153 388469893 /nfs/dbraw/zinc/46/98/93/388469893.db2.gz BJZPSSJNMXEZCB-OPRDCNLKSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(F)(F)F ZINC000336725153 388469895 /nfs/dbraw/zinc/46/98/95/388469895.db2.gz BJZPSSJNMXEZCB-OPRDCNLKSA-N 1 3 238.297 2.257 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1cccs1 ZINC000517123142 388538318 /nfs/dbraw/zinc/53/83/18/388538318.db2.gz WPYIASBXQIQRGC-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCCCc1cccs1 ZINC000517123142 388538322 /nfs/dbraw/zinc/53/83/22/388538322.db2.gz WPYIASBXQIQRGC-WDEREUQCSA-N 1 3 226.389 2.396 20 0 BEADHO CCC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000356333473 388548380 /nfs/dbraw/zinc/54/83/80/388548380.db2.gz KYNXDFPWMLXFCU-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000356333473 388548383 /nfs/dbraw/zinc/54/83/83/388548383.db2.gz KYNXDFPWMLXFCU-MELADBBJSA-N 1 3 240.391 2.018 20 0 BEADHO CCC[C@H](CNC1CC[NH+](C(C)C)CC1)OC ZINC000356340350 388548880 /nfs/dbraw/zinc/54/88/80/388548880.db2.gz SIXLECZAKKXXLW-CQSZACIVSA-N 1 3 242.407 2.264 20 0 BEADHO C[C@H]1C[C@H](C)[NH+]1CCCN1CCCCC1 ZINC000548096656 388510560 /nfs/dbraw/zinc/51/05/60/388510560.db2.gz FFIZROGSFNYSAR-STQMWFEESA-N 1 3 210.365 2.345 20 0 BEADHO C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)C1CC1 ZINC000397976436 388513510 /nfs/dbraw/zinc/51/35/10/388513510.db2.gz KRJAUPNCDIHQBW-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO CC(C)CCCN(C)CCC[NH+](C)C ZINC000516815403 388519120 /nfs/dbraw/zinc/51/91/20/388519120.db2.gz PHMDVMMDYMWAMU-UHFFFAOYSA-N 1 3 200.370 2.306 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1cccs1 ZINC000517123139 256815501 /nfs/dbraw/zinc/81/55/01/256815501.db2.gz WPYIASBXQIQRGC-GHMZBOCLSA-N 1 3 226.389 2.396 20 0 BEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1cccs1 ZINC000517123139 256815503 /nfs/dbraw/zinc/81/55/03/256815503.db2.gz WPYIASBXQIQRGC-GHMZBOCLSA-N 1 3 226.389 2.396 20 0 BEADHO Cc1ccccc1OCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000517588785 388555437 /nfs/dbraw/zinc/55/54/37/388555437.db2.gz SVARTAXHWJCBSQ-KBPBESRZSA-N 1 3 248.370 2.233 20 0 BEADHO CS[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000521192233 388564758 /nfs/dbraw/zinc/56/47/58/388564758.db2.gz OCILFBUQBHIHSM-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000521192233 388564760 /nfs/dbraw/zinc/56/47/60/388564760.db2.gz OCILFBUQBHIHSM-OLZOCXBDSA-N 1 3 242.432 2.298 20 0 BEADHO CC/C=C/CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000184553053 388579243 /nfs/dbraw/zinc/57/92/43/388579243.db2.gz RBWKHNLHBQMAJB-GFUIURDCSA-N 1 3 210.365 2.226 20 0 BEADHO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@@H]2CN)C[C@@H](C)O1 ZINC000521983280 388672676 /nfs/dbraw/zinc/67/26/76/388672676.db2.gz NTEBJVOAECPJMX-HKUMRIAESA-N 1 3 240.391 2.050 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000530179677 388622867 /nfs/dbraw/zinc/62/28/67/388622867.db2.gz ZUJMZHFLQZCKPP-JHJVBQTASA-N 1 3 222.376 2.439 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530207039 388626995 /nfs/dbraw/zinc/62/69/95/388626995.db2.gz CMVXMVQCCVVXOK-ZSAUSMIDSA-N 1 3 236.403 2.400 20 0 BEADHO COCCC1CC[NH+]([C@H]2CCC[C@@H](N)C2)CC1 ZINC000530212178 388627412 /nfs/dbraw/zinc/62/74/12/388627412.db2.gz PLINAWMOTKNOGJ-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO COCCC1CCN([C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000530212178 388627414 /nfs/dbraw/zinc/62/74/14/388627414.db2.gz PLINAWMOTKNOGJ-KGLIPLIRSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)OC1CCC([NH2+]C2CCNCC2)CC1 ZINC000530214771 388628651 /nfs/dbraw/zinc/62/86/51/388628651.db2.gz CRAHKSZQYFRIIZ-UHFFFAOYSA-N 1 3 240.391 2.064 20 0 BEADHO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000530213542 388628955 /nfs/dbraw/zinc/62/89/55/388628955.db2.gz ADYSOCJCPNFKBZ-UTUOFQBUSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530213616 388629037 /nfs/dbraw/zinc/62/90/37/388629037.db2.gz AYFDVPZMQIBDGM-AAEUAGOBSA-N 1 3 222.376 2.439 20 0 BEADHO C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CCNC12CCC2 ZINC000530214760 388629132 /nfs/dbraw/zinc/62/91/32/388629132.db2.gz CQOZGFHMUDVBNE-NWDGAFQWSA-N 1 3 220.360 2.193 20 0 BEADHO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000530213536 388629603 /nfs/dbraw/zinc/62/96/03/388629603.db2.gz ADYSOCJCPNFKBZ-GRYCIOLGSA-N 1 3 208.349 2.049 20 0 BEADHO CC[C@@H]([NH2+][C@H]1CCNC12CCC2)C(C)C ZINC000530217452 388629941 /nfs/dbraw/zinc/62/99/41/388629941.db2.gz GQBWZNLADXFZKB-NEPJUHHUSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000530217452 388629943 /nfs/dbraw/zinc/62/99/43/388629943.db2.gz GQBWZNLADXFZKB-NEPJUHHUSA-N 1 3 210.365 2.295 20 0 BEADHO CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1C ZINC000530216139 388630053 /nfs/dbraw/zinc/63/00/53/388630053.db2.gz MVYIMMVHRFWUKG-FVCCEPFGSA-N 1 3 222.376 2.295 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1C[C@H]1C ZINC000530216139 388630054 /nfs/dbraw/zinc/63/00/54/388630054.db2.gz MVYIMMVHRFWUKG-FVCCEPFGSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C(C)(C)C ZINC000530216297 388630542 /nfs/dbraw/zinc/63/05/42/388630542.db2.gz AFADZDBNTDVFDJ-QWRGUYRKSA-N 1 3 210.365 2.295 20 0 BEADHO C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CCNC23CCC3)C1 ZINC000530217703 388630693 /nfs/dbraw/zinc/63/06/93/388630693.db2.gz VRYOIYBVXHVECZ-IHRRRGAJSA-N 1 3 234.387 2.439 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000530219345 388631275 /nfs/dbraw/zinc/63/12/75/388631275.db2.gz LKMQZBZOSXVDCB-NWDGAFQWSA-N 1 3 208.349 2.049 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CC(C)(C)C1 ZINC000530225154 388635031 /nfs/dbraw/zinc/63/50/31/388635031.db2.gz WUSFEQSWPMLIBB-MNOVXSKESA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CC(C)(C)C1 ZINC000530225154 388635032 /nfs/dbraw/zinc/63/50/32/388635032.db2.gz WUSFEQSWPMLIBB-MNOVXSKESA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CC(C)(C)C1 ZINC000530225151 388635459 /nfs/dbraw/zinc/63/54/59/388635459.db2.gz WUSFEQSWPMLIBB-GHMZBOCLSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CC(C)(C)C1 ZINC000530225151 388635460 /nfs/dbraw/zinc/63/54/60/388635460.db2.gz WUSFEQSWPMLIBB-GHMZBOCLSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](C)c1ccncc1 ZINC000530242721 388637845 /nfs/dbraw/zinc/63/78/45/388637845.db2.gz CTIUGBLDDHKXOK-UMVBOHGHSA-N 1 3 247.386 2.305 20 0 BEADHO COCCC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000530243524 388638775 /nfs/dbraw/zinc/63/87/75/388638775.db2.gz RUWCLBJIOJIYQD-AWEZNQCLSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H](C[NH2+]C(C1CC1)C1CC1)CN1CCCC1 ZINC000062077365 388649233 /nfs/dbraw/zinc/64/92/33/388649233.db2.gz IXYSBJAGTQSKKT-LBPRGKRZSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000227609286 388753145 /nfs/dbraw/zinc/75/31/45/388753145.db2.gz MKZKTHNKXUDWNL-WCFLWFBJSA-N 1 3 210.365 2.247 20 0 BEADHO CC[N@H+](C[C@H]1CCCNC1)[C@@H](C)C(C)C ZINC000226437213 388719346 /nfs/dbraw/zinc/71/93/46/388719346.db2.gz UPBZWXISNFUCNT-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO CC[N@@H+](C[C@H]1CCCNC1)[C@@H](C)C(C)C ZINC000226437213 388719348 /nfs/dbraw/zinc/71/93/48/388719348.db2.gz UPBZWXISNFUCNT-STQMWFEESA-N 1 3 212.381 2.352 20 0 BEADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@@H]21 ZINC000554095444 388799081 /nfs/dbraw/zinc/79/90/81/388799081.db2.gz FNDHLNSTAPQOMF-DGORSVRFSA-N 1 3 244.329 2.102 20 0 BEADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@H]2CCC[C@@H]21 ZINC000554095444 388799083 /nfs/dbraw/zinc/79/90/83/388799083.db2.gz FNDHLNSTAPQOMF-DGORSVRFSA-N 1 3 244.329 2.102 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300240683 388834970 /nfs/dbraw/zinc/83/49/70/388834970.db2.gz FQUDZKXOQKKKDA-FVCCEPFGSA-N 1 3 210.365 2.282 20 0 BEADHO C[NH2+]C[C@H](C)CN[C@@H](C)CCc1ccco1 ZINC000565475067 388947535 /nfs/dbraw/zinc/94/75/35/388947535.db2.gz LPICWHRYWZGFHU-RYUDHWBXSA-N 1 3 224.348 2.046 20 0 BEADHO CNC[C@H](C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000565475067 388947539 /nfs/dbraw/zinc/94/75/39/388947539.db2.gz LPICWHRYWZGFHU-RYUDHWBXSA-N 1 3 224.348 2.046 20 0 BEADHO CNC[C@@H](C)C[NH2+][C@H](C)CCc1ccco1 ZINC000565475068 388947773 /nfs/dbraw/zinc/94/77/73/388947773.db2.gz LPICWHRYWZGFHU-VXGBXAGGSA-N 1 3 224.348 2.046 20 0 BEADHO C[NH2+]C[C@@H](C)CN[C@H](C)CCc1ccco1 ZINC000565475068 388947769 /nfs/dbraw/zinc/94/77/69/388947769.db2.gz LPICWHRYWZGFHU-VXGBXAGGSA-N 1 3 224.348 2.046 20 0 BEADHO CC[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000572574342 388982697 /nfs/dbraw/zinc/98/26/97/388982697.db2.gz HBLPQQOHERRNPY-UKRRQHHQSA-N 1 3 247.386 2.464 20 0 BEADHO CC[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000572574342 388982699 /nfs/dbraw/zinc/98/26/99/388982699.db2.gz HBLPQQOHERRNPY-UKRRQHHQSA-N 1 3 247.386 2.464 20 0 BEADHO COCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408600 533233595 /nfs/dbraw/zinc/23/35/95/533233595.db2.gz CAOAORRTKFXVRY-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408600 533233600 /nfs/dbraw/zinc/23/36/00/533233600.db2.gz CAOAORRTKFXVRY-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO COCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300408600 533233608 /nfs/dbraw/zinc/23/36/08/533233608.db2.gz CAOAORRTKFXVRY-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO C([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCNC1 ZINC000335519370 533368861 /nfs/dbraw/zinc/36/88/61/533368861.db2.gz ORFCYKRNHMUYAR-CHWSQXEVSA-N 1 3 222.376 2.298 20 0 BEADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000251586194 533370702 /nfs/dbraw/zinc/37/07/02/533370702.db2.gz YYUPDPZZLUYRJG-KGLIPLIRSA-N 1 3 222.376 2.393 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1CCCC12CCC2 ZINC000261548855 533375955 /nfs/dbraw/zinc/37/59/55/533375955.db2.gz NYSMREDTCMIVQB-GFCCVEGCSA-N 1 3 208.349 2.005 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1CCCC12CCC2 ZINC000261548855 533375963 /nfs/dbraw/zinc/37/59/63/533375963.db2.gz NYSMREDTCMIVQB-GFCCVEGCSA-N 1 3 208.349 2.005 20 0 BEADHO Cc1cc(N2CC[NH2+][C@@H](C)C2)c2ccccc2n1 ZINC000052783497 132229485 /nfs/dbraw/zinc/22/94/85/132229485.db2.gz DWZGWZISVZYJBI-LBPRGKRZSA-N 1 3 241.338 2.341 20 0 BEADHO C[C@H]1CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000334317524 132296251 /nfs/dbraw/zinc/29/62/51/132296251.db2.gz VAOUZCKDNVAKTM-SWLSCSKDSA-N 1 3 245.370 2.439 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H](C)F)C1 ZINC000352003345 134034363 /nfs/dbraw/zinc/03/43/63/134034363.db2.gz LLXTYQZFSNGIHB-NWDGAFQWSA-N 1 3 216.344 2.008 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC000352003345 134034364 /nfs/dbraw/zinc/03/43/64/134034364.db2.gz LLXTYQZFSNGIHB-NWDGAFQWSA-N 1 3 216.344 2.008 20 0 BEADHO C[C@H](F)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000352051356 134048089 /nfs/dbraw/zinc/04/80/89/134048089.db2.gz ZJQXEEBMTKIPAA-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@H](F)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000352051356 134048090 /nfs/dbraw/zinc/04/80/90/134048090.db2.gz ZJQXEEBMTKIPAA-QWHCGFSZSA-N 1 3 228.355 2.152 20 0 BEADHO CCc1cc(N2CC[C@@H](N3CC=CC3)C2)cc[nH+]1 ZINC000336188721 134122495 /nfs/dbraw/zinc/12/24/95/134122495.db2.gz VTDNPXHVFOVIHH-OAHLLOKOSA-N 1 3 243.354 2.095 20 0 BEADHO CCc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000336201594 134130802 /nfs/dbraw/zinc/13/08/02/134130802.db2.gz ZTLMDJDLBSEUCS-OAHLLOKOSA-N 1 3 245.370 2.176 20 0 BEADHO CCc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccn1 ZINC000336201594 134130803 /nfs/dbraw/zinc/13/08/03/134130803.db2.gz ZTLMDJDLBSEUCS-OAHLLOKOSA-N 1 3 245.370 2.176 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC000168520283 134225406 /nfs/dbraw/zinc/22/54/06/134225406.db2.gz CMCMKDNEIOXJQH-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CCC(C)CC2)C1 ZINC000168520283 134225407 /nfs/dbraw/zinc/22/54/07/134225407.db2.gz CMCMKDNEIOXJQH-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO Cc1ccc(CN[C@H](C)CC[NH3+])c(C)c1 ZINC000220516532 134309510 /nfs/dbraw/zinc/30/95/10/134309510.db2.gz BBSUBJIQLDUDAO-GFCCVEGCSA-N 1 3 206.333 2.130 20 0 BEADHO CCc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000220516289 134309620 /nfs/dbraw/zinc/30/96/20/134309620.db2.gz XAPXJJLDMJFHBG-NSHDSACASA-N 1 3 206.333 2.076 20 0 BEADHO CCCN1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000223819951 134342838 /nfs/dbraw/zinc/34/28/38/134342838.db2.gz JDKJIQPCIUAWLV-UHFFFAOYSA-N 1 3 247.386 2.354 20 0 BEADHO CC(C)OCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000224982846 134352178 /nfs/dbraw/zinc/35/21/78/134352178.db2.gz IKGMGMPMCWKKNN-KBPBESRZSA-N 1 3 242.407 2.299 20 0 BEADHO C[C@@H](C[NH2+][C@@H]1CC[C@@H](C)C1)CN1CCCC1 ZINC000227203563 134375997 /nfs/dbraw/zinc/37/59/97/134375997.db2.gz VJXAVWFAEDEYKP-HZSPNIEDSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)(C)[C@H]1CCC[N@H+](CCCN)CC1 ZINC000070652724 135005609 /nfs/dbraw/zinc/00/56/09/135005609.db2.gz ZFUNVBHLIYGHKK-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)[C@H]1CCC[N@@H+](CCCN)CC1 ZINC000070652724 135005610 /nfs/dbraw/zinc/00/56/10/135005610.db2.gz ZFUNVBHLIYGHKK-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CC(C)(C)[C@H]1CCCN(CCC[NH3+])CC1 ZINC000070652724 135005611 /nfs/dbraw/zinc/00/56/11/135005611.db2.gz ZFUNVBHLIYGHKK-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cncc(C)c2)C1 ZINC000248754028 135020495 /nfs/dbraw/zinc/02/04/95/135020495.db2.gz UQXLZRBTYBDKIQ-KGLIPLIRSA-N 1 3 247.386 2.382 20 0 BEADHO CC1(C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251141699 135065075 /nfs/dbraw/zinc/06/50/75/135065075.db2.gz JDGVJWITKWXVMH-SRVKXCTJSA-N 1 3 208.349 2.001 20 0 BEADHO CC1(C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251141699 135065077 /nfs/dbraw/zinc/06/50/77/135065077.db2.gz JDGVJWITKWXVMH-SRVKXCTJSA-N 1 3 208.349 2.001 20 0 BEADHO CC(C)[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000251285186 135068148 /nfs/dbraw/zinc/06/81/48/135068148.db2.gz FDQYHCSGRCLJME-AGIUHOORSA-N 1 3 212.381 2.386 20 0 BEADHO C[C@@H]1CN(CCCc2ccccc2)CC[C@H]1[NH3+] ZINC000251615886 135072478 /nfs/dbraw/zinc/07/24/78/135072478.db2.gz DRNWZLBWEXEPDR-UKRRQHHQSA-N 1 3 232.371 2.288 20 0 BEADHO [NH3+][C@H]1CCC[C@H](NCc2ccsc2)C1 ZINC000086404137 135083343 /nfs/dbraw/zinc/08/33/43/135083343.db2.gz MKWDGXXQKGBXIT-QWRGUYRKSA-N 1 3 210.346 2.108 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CS1 ZINC000252203615 135086853 /nfs/dbraw/zinc/08/68/53/135086853.db2.gz WTPMYMMZSMBWGU-VOAKCMCISA-N 1 3 240.416 2.097 20 0 BEADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CS1 ZINC000252203615 135086854 /nfs/dbraw/zinc/08/68/54/135086854.db2.gz WTPMYMMZSMBWGU-VOAKCMCISA-N 1 3 240.416 2.097 20 0 BEADHO C1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000252675435 135095990 /nfs/dbraw/zinc/09/59/90/135095990.db2.gz ZTUBPWUGZCJWMQ-STQMWFEESA-N 1 3 208.349 2.145 20 0 BEADHO CC1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000252731753 135104465 /nfs/dbraw/zinc/10/44/65/135104465.db2.gz RJYGCKZYEQMESY-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000252731753 135104468 /nfs/dbraw/zinc/10/44/68/135104468.db2.gz RJYGCKZYEQMESY-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000252731753 135104470 /nfs/dbraw/zinc/10/44/70/135104470.db2.gz RJYGCKZYEQMESY-STQMWFEESA-N 1 3 222.376 2.393 20 0 BEADHO Cc1ccsc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000087308571 135121634 /nfs/dbraw/zinc/12/16/34/135121634.db2.gz HNJBGGSMMDTOLC-QWRGUYRKSA-N 1 3 224.373 2.274 20 0 BEADHO Cc1cscc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000087309290 135121948 /nfs/dbraw/zinc/12/19/48/135121948.db2.gz QCAVPNNNLJUQGG-JQWIXIFHSA-N 1 3 224.373 2.274 20 0 BEADHO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000253118331 135122203 /nfs/dbraw/zinc/12/22/03/135122203.db2.gz HAOOSEZGYOBHKQ-CYDGBPFRSA-N 1 3 210.365 2.282 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)c(C)c1 ZINC000258769535 135134064 /nfs/dbraw/zinc/13/40/64/135134064.db2.gz AZWOYXUAUQZFNZ-UONOGXRCSA-N 1 3 218.344 2.273 20 0 BEADHO CNCCC[N@H+](C)CC1CCC(C)CC1 ZINC000087472423 135143182 /nfs/dbraw/zinc/14/31/82/135143182.db2.gz VTCBKMSFAHXFLO-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO CNCCC[N@@H+](C)CC1CCC(C)CC1 ZINC000087472423 135143184 /nfs/dbraw/zinc/14/31/84/135143184.db2.gz VTCBKMSFAHXFLO-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]CCCN(C)CC1CCC(C)CC1 ZINC000087472423 135143186 /nfs/dbraw/zinc/14/31/86/135143186.db2.gz VTCBKMSFAHXFLO-UHFFFAOYSA-N 1 3 212.381 2.354 20 0 BEADHO Cc1cc(C)c(C[N@@H+](C)[C@H](C)CN)cc1C ZINC000259636910 135143927 /nfs/dbraw/zinc/14/39/27/135143927.db2.gz CLCACTYQLLOUFT-CYBMUJFWSA-N 1 3 220.360 2.391 20 0 BEADHO Cc1cc(C)c(C[N@H+](C)[C@H](C)CN)cc1C ZINC000259636910 135143928 /nfs/dbraw/zinc/14/39/28/135143928.db2.gz CLCACTYQLLOUFT-CYBMUJFWSA-N 1 3 220.360 2.391 20 0 BEADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000261528048 135152527 /nfs/dbraw/zinc/15/25/27/135152527.db2.gz JCVPLOSJQCMHMO-BDAKNGLRSA-N 1 3 212.724 2.165 20 0 BEADHO Cc1ccsc1C[NH2+][C@H]1CCNC[C@@H]1C ZINC000261531017 135159299 /nfs/dbraw/zinc/15/92/99/135159299.db2.gz DWXJUYNIXBLYCU-QWRGUYRKSA-N 1 3 224.373 2.144 20 0 BEADHO CC1(C)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000261531495 135161048 /nfs/dbraw/zinc/16/10/48/135161048.db2.gz GTLOHGINEITRAR-LLVKDONJSA-N 1 3 210.365 2.426 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H](N)C2)c1 ZINC000261534254 135166595 /nfs/dbraw/zinc/16/65/95/135166595.db2.gz PASPCRFCOCPAPP-TZMCWYRMSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@H](N)C2)c1 ZINC000261534254 135166597 /nfs/dbraw/zinc/16/65/97/135166597.db2.gz PASPCRFCOCPAPP-TZMCWYRMSA-N 1 3 218.344 2.082 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000261536362 135171299 /nfs/dbraw/zinc/17/12/99/135171299.db2.gz RJROZGJAIQMICC-UTUOFQBUSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCCNC2)C1 ZINC000261536747 135172598 /nfs/dbraw/zinc/17/25/98/135172598.db2.gz STWCNQFYYRDJCH-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2CCCNC2)C1 ZINC000261536747 135172600 /nfs/dbraw/zinc/17/26/00/135172600.db2.gz STWCNQFYYRDJCH-FRRDWIJNSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000261538312 135175603 /nfs/dbraw/zinc/17/56/03/135175603.db2.gz XRHLLWRCHKVNGJ-UPJWGTAASA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H]1CC([NH2+]C[C@H]2CCCN2)C[C@H](C)C1 ZINC000261538227 135175784 /nfs/dbraw/zinc/17/57/84/135175784.db2.gz XMZHASAWCUCKSG-IJLUTSLNSA-N 1 3 210.365 2.153 20 0 BEADHO Cc1ccc(CN2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000261540950 135179975 /nfs/dbraw/zinc/17/99/75/135179975.db2.gz ARQZMUWYKRFGPB-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@@H+]2CC[C@](C)(CN)C2)c(C)c1 ZINC000261540950 135179976 /nfs/dbraw/zinc/17/99/76/135179976.db2.gz ARQZMUWYKRFGPB-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO Cc1ccc(C[N@H+]2CC[C@](C)(CN)C2)c(C)c1 ZINC000261540950 135179977 /nfs/dbraw/zinc/17/99/77/135179977.db2.gz ARQZMUWYKRFGPB-OAHLLOKOSA-N 1 3 232.371 2.474 20 0 BEADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000261540967 135180352 /nfs/dbraw/zinc/18/03/52/135180352.db2.gz ASTKXPSEOHVVSF-BYCMXARLSA-N 1 3 230.355 2.262 20 0 BEADHO C[C@H](N(C)C[C@]1(C)CC[NH2+]C1)C1(C)CC1 ZINC000261543741 135184518 /nfs/dbraw/zinc/18/45/18/135184518.db2.gz ICLORWCZVGKEHU-NWDGAFQWSA-N 1 3 210.365 2.106 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000084215374 135192348 /nfs/dbraw/zinc/19/23/48/135192348.db2.gz UZWDNUCEGSYSIH-AAEUAGOBSA-N 1 3 210.365 2.426 20 0 BEADHO CCC(C)(C)CC[N@@H+]1CCC[C@@H](CN)C1 ZINC000261555409 135194876 /nfs/dbraw/zinc/19/48/76/135194876.db2.gz UXAMVHGLYGSGNO-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO CCC(C)(C)CC[N@H+]1CCC[C@@H](CN)C1 ZINC000261555409 135194878 /nfs/dbraw/zinc/19/48/78/135194878.db2.gz UXAMVHGLYGSGNO-LBPRGKRZSA-N 1 3 212.381 2.483 20 0 BEADHO Cc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261556315 135196165 /nfs/dbraw/zinc/19/61/65/135196165.db2.gz BWSNHHYCPGYUKB-HRCADAONSA-N 1 3 244.382 2.473 20 0 BEADHO C[C@@H]1COCC[C@@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261558243 135198575 /nfs/dbraw/zinc/19/85/75/135198575.db2.gz DBXMRYFZEVHEII-KJEVXHAQSA-N 1 3 246.354 2.146 20 0 BEADHO Cc1cccc(C)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261561040 135201948 /nfs/dbraw/zinc/20/19/48/135201948.db2.gz FRYYUSRDJCWHSM-MRXNPFEDSA-N 1 3 244.382 2.489 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)[C@H](C)N ZINC000261562617 135204678 /nfs/dbraw/zinc/20/46/78/135204678.db2.gz BKWPCBZVHDPCPG-MISXGVKJSA-N 1 3 218.344 2.389 20 0 BEADHO CC1CCC(CN2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261562894 135204780 /nfs/dbraw/zinc/20/47/80/135204780.db2.gz WRFBCNGOUAIHDE-YMAMQOFZSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CNCC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000261565146 135206775 /nfs/dbraw/zinc/20/67/75/135206775.db2.gz HQTBZGOZCRAUJH-YINFPWJTSA-N 1 3 248.414 2.399 20 0 BEADHO Cc1ccc(C[NH2+][C@@H]2CCNC[C@H]2C)cc1 ZINC000261567796 135209195 /nfs/dbraw/zinc/20/91/95/135209195.db2.gz FDECRWUYGUMLAU-TZMCWYRMSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1ccc(C[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000261567794 135209845 /nfs/dbraw/zinc/20/98/45/135209845.db2.gz FDECRWUYGUMLAU-JSGCOSHPSA-N 1 3 218.344 2.083 20 0 BEADHO Cc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000261569476 135211656 /nfs/dbraw/zinc/21/16/56/135211656.db2.gz JWNAPEQBXWNWAX-GDBMZVCRSA-N 1 3 244.382 2.345 20 0 BEADHO COc1ccc([C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)cc1 ZINC000261571449 135213432 /nfs/dbraw/zinc/21/34/32/135213432.db2.gz LBJOXEMJARCBEZ-HUBLWGQQSA-N 1 3 248.370 2.344 20 0 BEADHO C[C@H](Cc1ccc(F)cc1)N[C@@H](C)[C@H](C)[NH3+] ZINC000261572842 135214566 /nfs/dbraw/zinc/21/45/66/135214566.db2.gz IJKRPGZGKQCBNE-VWYCJHECSA-N 1 3 224.323 2.082 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)CCO1 ZINC000261580989 135221360 /nfs/dbraw/zinc/22/13/60/135221360.db2.gz QGVDSYPBTDDYBZ-HKCMKHECSA-N 1 3 246.354 2.288 20 0 BEADHO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000261585511 135227185 /nfs/dbraw/zinc/22/71/85/135227185.db2.gz QMVJCYFCQVMRML-VWYCJHECSA-N 1 3 222.332 2.082 20 0 BEADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000261588010 135229195 /nfs/dbraw/zinc/22/91/95/135229195.db2.gz VIIINMWDRAYCST-CQSZACIVSA-N 1 3 248.370 2.043 20 0 BEADHO C[C@@H]1CC[C@@]2(CCN(CC(C)(C)[NH3+])C2)C1 ZINC000261589646 135229980 /nfs/dbraw/zinc/22/99/80/135229980.db2.gz UAABZOQFBFNGIW-DGCLKSJQSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)[C@H](C)C1 ZINC000261590615 135231030 /nfs/dbraw/zinc/23/10/30/135231030.db2.gz UQMNJLKYNUHJAG-XGFWRYKXSA-N 1 3 224.392 2.399 20 0 BEADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCSC2)c2ccccc21 ZINC000261547269 135239877 /nfs/dbraw/zinc/23/98/77/135239877.db2.gz HVTRAKQEGALVOG-LERXQTSPSA-N 1 3 248.395 2.474 20 0 BEADHO C[C@H]1CC2(CCC2)CN1C[C@]1(C)CC[NH2+]C1 ZINC000261740110 135248846 /nfs/dbraw/zinc/24/88/46/135248846.db2.gz IHBACOPDXKTAJN-QWHCGFSZSA-N 1 3 222.376 2.251 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261748580 135250057 /nfs/dbraw/zinc/25/00/57/135250057.db2.gz VYYYQCKNYHUBMZ-CQSZACIVSA-N 1 3 247.386 2.042 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261748580 135250058 /nfs/dbraw/zinc/25/00/58/135250058.db2.gz VYYYQCKNYHUBMZ-CQSZACIVSA-N 1 3 247.386 2.042 20 0 BEADHO CC[C@]1(C)CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918606 135262551 /nfs/dbraw/zinc/26/25/51/135262551.db2.gz ZZFDMFIRTSZNFN-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO Cc1ccc2c(c1)CN(CC1CC[NH2+]CC1)C2 ZINC000261937964 135264068 /nfs/dbraw/zinc/26/40/68/135264068.db2.gz MHKRPMFQUZLEIX-UHFFFAOYSA-N 1 3 230.355 2.310 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000261961713 135266967 /nfs/dbraw/zinc/26/69/67/135266967.db2.gz HJGBMLNDKDXVHO-CRWXNKLISA-N 1 3 224.392 2.482 20 0 BEADHO CC[N@H+](C[C@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000261995538 135270647 /nfs/dbraw/zinc/27/06/47/135270647.db2.gz SULOQBLFOQKYPQ-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CC[N@@H+](C[C@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000261995538 135270648 /nfs/dbraw/zinc/27/06/48/135270648.db2.gz SULOQBLFOQKYPQ-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)CC12CCC2 ZINC000262012353 135271960 /nfs/dbraw/zinc/27/19/60/135271960.db2.gz VEJYUCKSNDTXOY-ZIAGYGMSSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)CC12CCC2 ZINC000262012353 135271961 /nfs/dbraw/zinc/27/19/61/135271961.db2.gz VEJYUCKSNDTXOY-ZIAGYGMSSA-N 1 3 236.403 2.498 20 0 BEADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1C ZINC000262006590 135272264 /nfs/dbraw/zinc/27/22/64/135272264.db2.gz URZKTCLIWYVWAR-UHFFFAOYSA-N 1 3 248.370 2.174 20 0 BEADHO CC(C)CCC[N@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299893489 135381299 /nfs/dbraw/zinc/38/12/99/135381299.db2.gz LSVOEQRJLCTMPD-STQMWFEESA-N 1 3 210.365 2.106 20 0 BEADHO CC(C)CCC[N@@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299893489 135381301 /nfs/dbraw/zinc/38/13/01/135381301.db2.gz LSVOEQRJLCTMPD-STQMWFEESA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@H](C)C[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299894574 135381441 /nfs/dbraw/zinc/38/14/41/135381441.db2.gz XXZBUSFFINEQTL-XQQFMLRXSA-N 1 3 210.365 2.106 20 0 BEADHO CCC[C@H](C)C[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299894574 135381442 /nfs/dbraw/zinc/38/14/42/135381442.db2.gz XXZBUSFFINEQTL-XQQFMLRXSA-N 1 3 210.365 2.106 20 0 BEADHO FC1(F)CCC[C@@H](C[NH2+]C2CCNCC2)C1 ZINC000335023580 135879863 /nfs/dbraw/zinc/87/98/63/135879863.db2.gz SCHAPCOVRDISKW-SNVBAGLBSA-N 1 3 232.318 2.154 20 0 BEADHO [NH3+][C@@H]1CCC[C@H]1NC1CC(c2ccccc2)C1 ZINC000335562405 136106704 /nfs/dbraw/zinc/10/67/04/136106704.db2.gz VZMNMPHSWGCCRV-NEXFUWMNSA-N 1 3 230.355 2.402 20 0 BEADHO C[C@@H]([NH2+]C1CCNCC1)C1C(C)(C)C1(C)C ZINC000335571088 136109882 /nfs/dbraw/zinc/10/98/82/136109882.db2.gz ZEIXZJZOPXXSCM-SNVBAGLBSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)N ZINC000335599114 136113993 /nfs/dbraw/zinc/11/39/93/136113993.db2.gz NPEJAXLZCYUHOC-ZANVPECISA-N 1 3 236.334 2.386 20 0 BEADHO C[C@@H](C[NH3+])CN[C@H]1CCSc2ccccc21 ZINC000309254520 397854999 /nfs/dbraw/zinc/85/49/99/397854999.db2.gz AFHWYLJEXYVGQC-JQWIXIFHSA-N 1 3 236.384 2.408 20 0 BEADHO C[C@@H](C[NH3+])CN[C@@H]1CCSc2ccccc21 ZINC000309254517 397855334 /nfs/dbraw/zinc/85/53/34/397855334.db2.gz AFHWYLJEXYVGQC-CMPLNLGQSA-N 1 3 236.384 2.408 20 0 BEADHO CN(C)c1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000517177190 397939792 /nfs/dbraw/zinc/93/97/92/397939792.db2.gz XEMNFEMXOPJOBN-KBPBESRZSA-N 1 3 247.386 2.112 20 0 BEADHO C[C@H]1CCC[C@H](CC[N@H+](C)CCCN)C1 ZINC000390477606 397891198 /nfs/dbraw/zinc/89/11/98/397891198.db2.gz LJEXWSGWVJYGOE-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H]1CCC[C@H](CC[N@@H+](C)CCCN)C1 ZINC000390477606 397891200 /nfs/dbraw/zinc/89/12/00/397891200.db2.gz LJEXWSGWVJYGOE-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H]1CCC[C@H](CCN(C)CCC[NH3+])C1 ZINC000390477606 397891201 /nfs/dbraw/zinc/89/12/01/397891201.db2.gz LJEXWSGWVJYGOE-QWHCGFSZSA-N 1 3 212.381 2.483 20 0 BEADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCCO1 ZINC000383087826 397998879 /nfs/dbraw/zinc/99/88/79/397998879.db2.gz KPPLKLDYCSGGMG-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000383087826 397998880 /nfs/dbraw/zinc/99/88/80/397998880.db2.gz KPPLKLDYCSGGMG-UONOGXRCSA-N 1 3 240.391 2.020 20 0 BEADHO COc1cccc([C@@H]2CCCN2CCC[NH3+])c1 ZINC000414676912 398015964 /nfs/dbraw/zinc/01/59/64/398015964.db2.gz IEHATUYDDRQZQE-AWEZNQCLSA-N 1 3 234.343 2.181 20 0 BEADHO CCc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000234157748 398023545 /nfs/dbraw/zinc/02/35/45/398023545.db2.gz NMSLLMBMAWXMKV-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccc(C[N@@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000234157748 398023549 /nfs/dbraw/zinc/02/35/49/398023549.db2.gz NMSLLMBMAWXMKV-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO CCc1ccc(C[N@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000234157748 398023553 /nfs/dbraw/zinc/02/35/53/398023553.db2.gz NMSLLMBMAWXMKV-HNNXBMFYSA-N 1 3 232.371 2.420 20 0 BEADHO Cc1cc(C)cc(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000038076856 397973652 /nfs/dbraw/zinc/97/36/52/397973652.db2.gz DKLFHWFQAIVQTC-AWEZNQCLSA-N 1 3 232.371 2.474 20 0 BEADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000414858846 398066035 /nfs/dbraw/zinc/06/60/35/398066035.db2.gz SPZPIOXXLOHYNH-HZSPNIEDSA-N 1 3 224.392 2.400 20 0 BEADHO CCSCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222254375 398095617 /nfs/dbraw/zinc/09/56/17/398095617.db2.gz MNLBAAQZLANUKR-TUAOUCFPSA-N 1 3 230.421 2.378 20 0 BEADHO CC[NH2+]CCNC[C@H]1CCC[C@@H](CC)C1 ZINC000414829860 398051521 /nfs/dbraw/zinc/05/15/21/398051521.db2.gz NIIDKYNDRPNDMN-OLZOCXBDSA-N 1 3 212.381 2.402 20 0 BEADHO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CNC)C1 ZINC000414850673 398057658 /nfs/dbraw/zinc/05/76/58/398057658.db2.gz ZRHRAXXISDCTKD-JHJVBQTASA-N 1 3 212.381 2.400 20 0 BEADHO CC[C@H]1C[N@H+](CC2(C)CCC2)CC[C@@H]1N ZINC000389693481 398125438 /nfs/dbraw/zinc/12/54/38/398125438.db2.gz IFOAPNIPAXYCBQ-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1N ZINC000389693481 398125443 /nfs/dbraw/zinc/12/54/43/398125443.db2.gz IFOAPNIPAXYCBQ-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO CC[C@H]1CN(CC2(C)CCC2)CC[C@@H]1[NH3+] ZINC000389693481 398125447 /nfs/dbraw/zinc/12/54/47/398125447.db2.gz IFOAPNIPAXYCBQ-RYUDHWBXSA-N 1 3 210.365 2.236 20 0 BEADHO CNCCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000336709860 173347462 /nfs/dbraw/zinc/34/74/62/173347462.db2.gz RJCYTJNUVDBYIC-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CNCCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000336709860 173347463 /nfs/dbraw/zinc/34/74/63/173347463.db2.gz RJCYTJNUVDBYIC-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CSc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000258767601 322877621 /nfs/dbraw/zinc/87/76/21/322877621.db2.gz NUIHAMTVDYLACZ-SNVBAGLBSA-N 1 3 224.373 2.093 20 0 BEADHO Cc1cc(F)ccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000334843088 487570279 /nfs/dbraw/zinc/57/02/79/487570279.db2.gz BGMFTFAXTLQPJN-UONOGXRCSA-N 1 3 236.334 2.494 20 0 BEADHO C[C@H]1C[C@H](NCCC[NH+]2CCCCC2)CS1 ZINC000086934483 487590794 /nfs/dbraw/zinc/59/07/94/487590794.db2.gz XAKSNOVJLZIJKD-STQMWFEESA-N 1 3 242.432 2.346 20 0 BEADHO CC1CCC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001651698334 1172976477 /nfs/dbraw/zinc/97/64/77/1172976477.db2.gz VIELEPHZLKWKGJ-NNVWEFMASA-N 1 3 236.403 2.495 20 0 BEADHO COCC[C@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000531780035 487602344 /nfs/dbraw/zinc/60/23/44/487602344.db2.gz ZEBCUCWWHIPQQA-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO COCC[C@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000531780035 487602348 /nfs/dbraw/zinc/60/23/48/487602348.db2.gz ZEBCUCWWHIPQQA-UONOGXRCSA-N 1 3 242.407 2.218 20 0 BEADHO C([C@@H]1CCCNC1)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662318400 409636815 /nfs/dbraw/zinc/63/68/15/409636815.db2.gz ZQUHWOWGAVSRIQ-UKRRQHHQSA-N 1 3 236.403 2.498 20 0 BEADHO C([C@@H]1CCCNC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662318400 409636823 /nfs/dbraw/zinc/63/68/23/409636823.db2.gz ZQUHWOWGAVSRIQ-UKRRQHHQSA-N 1 3 236.403 2.498 20 0 BEADHO CO[C@@H](CN[C@H](C[NH3+])C(C)(C)C)C1CCCC1 ZINC000662277284 409590873 /nfs/dbraw/zinc/59/08/73/409590873.db2.gz PEJVNZFPMCMMCW-QWHCGFSZSA-N 1 3 242.407 2.155 20 0 BEADHO CC(C)=CCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000662282666 409608114 /nfs/dbraw/zinc/60/81/14/409608114.db2.gz PRRMRGUIPJKGAF-STQMWFEESA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000662282666 409608123 /nfs/dbraw/zinc/60/81/23/409608123.db2.gz PRRMRGUIPJKGAF-STQMWFEESA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)=CCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662282666 409608134 /nfs/dbraw/zinc/60/81/34/409608134.db2.gz PRRMRGUIPJKGAF-STQMWFEESA-N 1 3 210.365 2.259 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000663498385 410275887 /nfs/dbraw/zinc/27/58/87/410275887.db2.gz BJLOIJJDMLCQQE-MJBXVCDLSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCO[C@H](C(C)C)C1 ZINC000663498385 410275894 /nfs/dbraw/zinc/27/58/94/410275894.db2.gz BJLOIJJDMLCQQE-MJBXVCDLSA-N 1 3 242.407 2.153 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CC1CCOCC1 ZINC000663503028 410277558 /nfs/dbraw/zinc/27/75/58/410277558.db2.gz MBSNHJKZVXGATB-TZMCWYRMSA-N 1 3 242.407 2.155 20 0 BEADHO C[C@@H]1CCC[C@@H](C[NH2+]CC23CC(C2)CN3)C1 ZINC000663501526 410278293 /nfs/dbraw/zinc/27/82/93/410278293.db2.gz XJXPHQPFQHGPPL-IWMBGFJWSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@@H]1CCC[C@@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC000663501526 410278298 /nfs/dbraw/zinc/27/82/98/410278298.db2.gz XJXPHQPFQHGPPL-IWMBGFJWSA-N 1 3 222.376 2.154 20 0 BEADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2c1CCC2 ZINC000650704294 410335520 /nfs/dbraw/zinc/33/55/20/410335520.db2.gz RSQRWMLHKAZJRZ-NWDGAFQWSA-N 1 3 232.371 2.391 20 0 BEADHO Cc1ccccc1[C@@H]1C[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000650741405 410372299 /nfs/dbraw/zinc/37/22/99/410372299.db2.gz CUKBGVUOELRRAB-TUKIKUTGSA-N 1 3 230.355 2.048 20 0 BEADHO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000650741405 410372305 /nfs/dbraw/zinc/37/23/05/410372305.db2.gz CUKBGVUOELRRAB-TUKIKUTGSA-N 1 3 230.355 2.048 20 0 BEADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccco1 ZINC000650743036 410377313 /nfs/dbraw/zinc/37/73/13/410377313.db2.gz KVWAIMWGKPFLTD-SNVBAGLBSA-N 1 3 208.305 2.059 20 0 BEADHO C[NH2+]Cc1ccccc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000650755227 410402554 /nfs/dbraw/zinc/40/25/54/410402554.db2.gz AEWGBRONGJPPCY-LALPHHSUSA-N 1 3 248.370 2.062 20 0 BEADHO C[NH2+]Cc1ccccc1CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000650755228 410402949 /nfs/dbraw/zinc/40/29/49/410402949.db2.gz AEWGBRONGJPPCY-SLEUVZQESA-N 1 3 248.370 2.062 20 0 BEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000665232166 410724164 /nfs/dbraw/zinc/72/41/64/410724164.db2.gz HIQKTUMRMPOXRR-ICIURTGMSA-N 1 3 245.370 2.058 20 0 BEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccn1 ZINC000665232165 410725041 /nfs/dbraw/zinc/72/50/41/410725041.db2.gz HIQKTUMRMPOXRR-HABKJSAYSA-N 1 3 245.370 2.058 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)[C@@H]1C[C@H]1C ZINC000665282972 410762738 /nfs/dbraw/zinc/76/27/38/410762738.db2.gz FNTZTUVXHNWLQV-LPWJVIDDSA-N 1 3 212.381 2.384 20 0 BEADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)[C@H]1C[C@H]1C ZINC000665282974 410764251 /nfs/dbraw/zinc/76/42/51/410764251.db2.gz FNTZTUVXHNWLQV-XQHKEYJVSA-N 1 3 212.381 2.384 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCCC1(C)C)CN(C)C ZINC000308879790 410785533 /nfs/dbraw/zinc/78/55/33/410785533.db2.gz DUAHRNUVFZEMOQ-NEPJUHHUSA-N 1 3 212.381 2.352 20 0 BEADHO C[NH+](C)CCCC(C)(C)NCc1nccs1 ZINC000395742678 410863358 /nfs/dbraw/zinc/86/33/58/410863358.db2.gz VTWFCPFOKHLWFF-UHFFFAOYSA-N 1 3 241.404 2.353 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](C)C1CCC(F)(F)CC1 ZINC000665297597 410818919 /nfs/dbraw/zinc/81/89/19/410818919.db2.gz IVZIECRZLJHAKU-VHSXEESVSA-N 1 3 234.334 2.398 20 0 BEADHO CC(C)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000037997563 167004189 /nfs/dbraw/zinc/00/41/89/167004189.db2.gz HOFOWIJJLBUOSF-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000052421359 167004784 /nfs/dbraw/zinc/00/47/84/167004784.db2.gz QDGAPFQKFSIART-CYBMUJFWSA-N 1 3 212.381 2.497 20 0 BEADHO CC(C)OCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365402016 167211193 /nfs/dbraw/zinc/21/11/93/167211193.db2.gz IJHXWXXPGJHLTB-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365402016 167211197 /nfs/dbraw/zinc/21/11/97/167211197.db2.gz IJHXWXXPGJHLTB-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365402016 167211200 /nfs/dbraw/zinc/21/12/00/167211200.db2.gz IJHXWXXPGJHLTB-CQSZACIVSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)CC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000109279759 411149912 /nfs/dbraw/zinc/14/99/12/411149912.db2.gz PKVUPVBJRDBEKP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000109279759 411149913 /nfs/dbraw/zinc/14/99/13/411149913.db2.gz PKVUPVBJRDBEKP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CC(C)CCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000109279759 411149914 /nfs/dbraw/zinc/14/99/14/411149914.db2.gz PKVUPVBJRDBEKP-CYBMUJFWSA-N 1 3 224.392 2.497 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](CC2CC=CC2)C1 ZINC000659989852 411158107 /nfs/dbraw/zinc/15/81/07/411158107.db2.gz UYRFLLUYSIKYGV-CQSZACIVSA-N 1 3 222.376 2.226 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](CC2CC=CC2)C1 ZINC000659989852 411158110 /nfs/dbraw/zinc/15/81/10/411158110.db2.gz UYRFLLUYSIKYGV-CQSZACIVSA-N 1 3 222.376 2.226 20 0 BEADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000110643845 411113199 /nfs/dbraw/zinc/11/31/99/411113199.db2.gz OOFAFFHNQDKINQ-RYUDHWBXSA-N 1 3 233.359 2.202 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)CN(C)C ZINC000652201030 411171106 /nfs/dbraw/zinc/17/11/06/411171106.db2.gz RFWRLBNXXAWREZ-OLZOCXBDSA-N 1 3 244.423 2.225 20 0 BEADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000660012296 411173848 /nfs/dbraw/zinc/17/38/48/411173848.db2.gz SQHRIZRNLLIPMM-IBEHDNSVSA-N 1 3 248.414 2.449 20 0 BEADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]21 ZINC000660012296 411173850 /nfs/dbraw/zinc/17/38/50/411173850.db2.gz SQHRIZRNLLIPMM-IBEHDNSVSA-N 1 3 248.414 2.449 20 0 BEADHO C[C@@H](C[NH2+][C@H]1CCCSCC1)CN(C)C ZINC000658018451 411198435 /nfs/dbraw/zinc/19/84/35/411198435.db2.gz QSYPHZIEBYZAJB-RYUDHWBXSA-N 1 3 230.421 2.059 20 0 BEADHO COC[C@H](CC(C)(C)C)[NH2+]CCNC(C)(C)C ZINC000656193870 411199532 /nfs/dbraw/zinc/19/95/32/411199532.db2.gz WLAZYNKPWRPFOA-LBPRGKRZSA-N 1 3 244.423 2.415 20 0 BEADHO COC[C@@H](CC(C)(C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000656193730 411200029 /nfs/dbraw/zinc/20/00/29/411200029.db2.gz QSLCSFGWEBBFLN-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCNCC1 ZINC000656193730 411200031 /nfs/dbraw/zinc/20/00/31/411200031.db2.gz QSLCSFGWEBBFLN-CHWSQXEVSA-N 1 3 242.407 2.169 20 0 BEADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000656198658 411203062 /nfs/dbraw/zinc/20/30/62/411203062.db2.gz BVIUKVDUMYHSMH-CEUNDQEZSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)OCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355010 411214469 /nfs/dbraw/zinc/21/44/69/411214469.db2.gz MRFVCJVZZFABEV-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355010 411214473 /nfs/dbraw/zinc/21/44/73/411214473.db2.gz MRFVCJVZZFABEV-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355010 411214477 /nfs/dbraw/zinc/21/44/77/411214477.db2.gz MRFVCJVZZFABEV-KBPBESRZSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355011 411214965 /nfs/dbraw/zinc/21/49/65/411214965.db2.gz MRFVCJVZZFABEV-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355011 411214967 /nfs/dbraw/zinc/21/49/67/411214967.db2.gz MRFVCJVZZFABEV-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO CC(C)OCCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355011 411214970 /nfs/dbraw/zinc/21/49/70/411214970.db2.gz MRFVCJVZZFABEV-KGLIPLIRSA-N 1 3 242.407 2.251 20 0 BEADHO Cc1noc(C)c1[C@@H](C)N[C@H](C)CCCC[NH3+] ZINC000310262094 411231519 /nfs/dbraw/zinc/23/15/19/411231519.db2.gz MBBFHFCYCIFFBL-NXEZZACHSA-N 1 3 239.363 2.460 20 0 BEADHO Cc1noc(C)c1[C@@H](C)N[C@@H](C)CCCC[NH3+] ZINC000310262096 411232012 /nfs/dbraw/zinc/23/20/12/411232012.db2.gz MBBFHFCYCIFFBL-VHSXEESVSA-N 1 3 239.363 2.460 20 0 BEADHO Cc1nc([C@H](C)N[C@H](C)CCC[NH3+])cs1 ZINC000422883428 411233126 /nfs/dbraw/zinc/23/31/26/411233126.db2.gz BZNHQZSFVBYZER-BDAKNGLRSA-N 1 3 227.377 2.230 20 0 BEADHO C[C@@H](NCC1(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000422905153 411233167 /nfs/dbraw/zinc/23/31/67/411233167.db2.gz YQXGYNGOJDXEPV-LLVKDONJSA-N 1 3 248.345 2.055 20 0 BEADHO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CNC1 ZINC000422905153 411233171 /nfs/dbraw/zinc/23/31/71/411233171.db2.gz YQXGYNGOJDXEPV-LLVKDONJSA-N 1 3 248.345 2.055 20 0 BEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCOC1CCCC1 ZINC000422827474 411233897 /nfs/dbraw/zinc/23/38/97/411233897.db2.gz MZNRJNUXAGGTCV-VXGBXAGGSA-N 1 3 228.380 2.051 20 0 BEADHO Cc1ccc(C[C@H]([NH2+]CC2CNC2)C2CC2)cc1 ZINC000423306722 411237368 /nfs/dbraw/zinc/23/73/68/411237368.db2.gz UJYLOPMWJQFMBL-INIZCTEOSA-N 1 3 244.382 2.125 20 0 BEADHO Cc1ccc(C[C@H](NCC2C[NH2+]C2)C2CC2)cc1 ZINC000423306722 411237372 /nfs/dbraw/zinc/23/73/72/411237372.db2.gz UJYLOPMWJQFMBL-INIZCTEOSA-N 1 3 244.382 2.125 20 0 BEADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CNC1 ZINC000423307025 411238020 /nfs/dbraw/zinc/23/80/20/411238020.db2.gz UZKLMJWBWFGPAN-CHWSQXEVSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423307127 411238759 /nfs/dbraw/zinc/23/87/59/411238759.db2.gz MMZLZRVGLLBHLI-IPYPFGDCSA-N 1 3 247.386 2.292 20 0 BEADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CNC1 ZINC000423307026 411238763 /nfs/dbraw/zinc/23/87/63/411238763.db2.gz UZKLMJWBWFGPAN-OLZOCXBDSA-N 1 3 210.365 2.010 20 0 BEADHO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC2)CS1 ZINC000655694861 411239813 /nfs/dbraw/zinc/23/98/13/411239813.db2.gz HUFTVEBDYQFHOE-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@@H]1CC[C@H](NCCC[NH+]2CCCC2)CS1 ZINC000655694861 411239817 /nfs/dbraw/zinc/23/98/17/411239817.db2.gz HUFTVEBDYQFHOE-OLZOCXBDSA-N 1 3 242.432 2.346 20 0 BEADHO CN(C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000051889668 411285905 /nfs/dbraw/zinc/28/59/05/411285905.db2.gz OTRFTXIJRNRZPT-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CCC1(C)CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000062954021 411329035 /nfs/dbraw/zinc/32/90/35/411329035.db2.gz WLYHSVGLBNEZRW-LBPRGKRZSA-N 1 3 210.365 2.108 20 0 BEADHO CCC[NH+]1CCC(NCCc2ccoc2)CC1 ZINC000658196479 411289697 /nfs/dbraw/zinc/28/96/97/411289697.db2.gz BDPNKMRMPIDBNO-UHFFFAOYSA-N 1 3 236.359 2.286 20 0 BEADHO CC[N@@H+]1CC[C@@H](NCC2=CCCC2)[C@@H](C)C1 ZINC000658292655 411325905 /nfs/dbraw/zinc/32/59/05/411325905.db2.gz FSUIYMCXJKBWPT-GXTWGEPZSA-N 1 3 222.376 2.417 20 0 BEADHO CC[N@H+]1CC[C@@H](NCC2=CCCC2)[C@@H](C)C1 ZINC000658292655 411325908 /nfs/dbraw/zinc/32/59/08/411325908.db2.gz FSUIYMCXJKBWPT-GXTWGEPZSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@H](C[NH2+][C@H]1CC[C@H](C)SC1)CN(C)C ZINC000655769879 411252010 /nfs/dbraw/zinc/25/20/10/411252010.db2.gz RFKTVQZBYLBNNF-WOPDTQHZSA-N 1 3 230.421 2.058 20 0 BEADHO FC1(CN2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000656782550 411359723 /nfs/dbraw/zinc/35/97/23/411359723.db2.gz HKGKKZPZPDNPCO-ZDUSSCGKSA-N 1 3 240.366 2.200 20 0 BEADHO C[C@H](c1ccncc1)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125348709 411364221 /nfs/dbraw/zinc/36/42/21/411364221.db2.gz QMCRWCQNUWMDCQ-BEAPCOKYSA-N 1 3 245.370 2.202 20 0 BEADHO C[C@]1(CN2CCC(C3CCC3)CC2)CC[NH2+]C1 ZINC000656787570 411366514 /nfs/dbraw/zinc/36/65/14/411366514.db2.gz NQPNJYNTFXBFOL-HNNXBMFYSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000656788231 411367591 /nfs/dbraw/zinc/36/75/91/411367591.db2.gz XTTFRFQIQSMPEX-SRVKXCTJSA-N 1 3 210.365 2.153 20 0 BEADHO NCCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656790635 411371142 /nfs/dbraw/zinc/37/11/42/411371142.db2.gz FQLXAUVCVXEVES-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO NCCC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656790635 411371143 /nfs/dbraw/zinc/37/11/43/411371143.db2.gz FQLXAUVCVXEVES-ZDUSSCGKSA-N 1 3 210.365 2.237 20 0 BEADHO [NH3+]C1(CN[C@H]2CCc3ccccc3C2)CCCC1 ZINC000656789680 411371244 /nfs/dbraw/zinc/37/12/44/411371244.db2.gz VFHDCAIZDWBXJP-HNNXBMFYSA-N 1 3 244.382 2.405 20 0 BEADHO CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661975813 411342482 /nfs/dbraw/zinc/34/24/82/411342482.db2.gz STSGPHTUINADRB-MGPQQGTHSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661975813 411342483 /nfs/dbraw/zinc/34/24/83/411342483.db2.gz STSGPHTUINADRB-MGPQQGTHSA-N 1 3 222.376 2.203 20 0 BEADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000300359373 168045307 /nfs/dbraw/zinc/04/53/07/168045307.db2.gz OVMULWGSSVCFKN-NEPJUHHUSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000300359373 168045308 /nfs/dbraw/zinc/04/53/08/168045308.db2.gz OVMULWGSSVCFKN-NEPJUHHUSA-N 1 3 208.349 2.003 20 0 BEADHO CC1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000300359373 168045309 /nfs/dbraw/zinc/04/53/09/168045309.db2.gz OVMULWGSSVCFKN-NEPJUHHUSA-N 1 3 208.349 2.003 20 0 BEADHO CC1([NH2+]C[C@@H]2CCCNC2)CCCCC1 ZINC000045047232 168063085 /nfs/dbraw/zinc/06/30/85/168063085.db2.gz GWSHLHJRPRAEQB-GFCCVEGCSA-N 1 3 210.365 2.298 20 0 BEADHO CC1CCC(C[N@@H+]2CC[C@@H](N)[C@H](C)C2)CC1 ZINC000063145741 168154039 /nfs/dbraw/zinc/15/40/39/168154039.db2.gz MKTSOJLVKAKZHW-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(C[N@H+]2CC[C@@H](N)[C@H](C)C2)CC1 ZINC000063145741 168154041 /nfs/dbraw/zinc/15/40/41/168154041.db2.gz MKTSOJLVKAKZHW-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO CC1CCC(CN2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000063145741 168154043 /nfs/dbraw/zinc/15/40/43/168154043.db2.gz MKTSOJLVKAKZHW-FKZOYECMSA-N 1 3 224.392 2.482 20 0 BEADHO CC[C@H]1C[C@H]([NH2+]CCCN(CC)CC)CCO1 ZINC000070344707 411391452 /nfs/dbraw/zinc/39/14/52/411391452.db2.gz DJJDPTRXGMARQR-KGLIPLIRSA-N 1 3 242.407 2.266 20 0 BEADHO CC[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000070346243 411391907 /nfs/dbraw/zinc/39/19/07/411391907.db2.gz CIONQECJLPLYPO-KGLIPLIRSA-N 1 3 240.391 2.020 20 0 BEADHO C[C@@H]1CCCN(CCc2cccnc2)[C@H]1CC[NH3+] ZINC000404278377 411387491 /nfs/dbraw/zinc/38/74/91/411387491.db2.gz CFKZIHIIIGFBKE-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CCC[N@H+](CCc2cccnc2)[C@H]1CCN ZINC000404278377 411387495 /nfs/dbraw/zinc/38/74/95/411387495.db2.gz CFKZIHIIIGFBKE-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CCC[N@@H+](CCc2cccnc2)[C@H]1CCN ZINC000404278377 411387499 /nfs/dbraw/zinc/38/74/99/411387499.db2.gz CFKZIHIIIGFBKE-HIFRSBDPSA-N 1 3 247.386 2.073 20 0 BEADHO C[C@@H]1CCCN(Cc2ccncc2)[C@H]1CC[NH3+] ZINC000404275700 411387510 /nfs/dbraw/zinc/38/75/10/411387510.db2.gz APSIPQYDZYADKL-OCCSQVGLSA-N 1 3 233.359 2.031 20 0 BEADHO C[C@@H]1CCCN(Cc2ccncc2)[C@@H]1CC[NH3+] ZINC000404275701 411387742 /nfs/dbraw/zinc/38/77/42/411387742.db2.gz APSIPQYDZYADKL-TZMCWYRMSA-N 1 3 233.359 2.031 20 0 BEADHO CC[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000070346245 411392062 /nfs/dbraw/zinc/39/20/62/411392062.db2.gz CIONQECJLPLYPO-KBPBESRZSA-N 1 3 240.391 2.020 20 0 BEADHO CC(C)COCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404406128 411394136 /nfs/dbraw/zinc/39/41/36/411394136.db2.gz UZLWCNFQDNEXNM-KGLIPLIRSA-N 1 3 242.407 2.108 20 0 BEADHO Cc1ccncc1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404410476 411395620 /nfs/dbraw/zinc/39/56/20/411395620.db2.gz CESGPANJFKOMOZ-HIFRSBDPSA-N 1 3 247.386 2.339 20 0 BEADHO CC[C@@H]1C[C@@H](NC2CC[NH+](C(C)C)CC2)CO1 ZINC000657294091 411450045 /nfs/dbraw/zinc/45/00/45/411450045.db2.gz CYUSROVXKNZVOY-ZIAGYGMSSA-N 1 3 240.391 2.016 20 0 BEADHO C[C@H](CNCC(C)(C)[NH3+])Cc1cccs1 ZINC000415088256 411491026 /nfs/dbraw/zinc/49/10/26/411491026.db2.gz VZQMFTGAKOXOFY-JTQLQIEISA-N 1 3 226.389 2.254 20 0 BEADHO C([C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CCCC1 ZINC000659949029 411508499 /nfs/dbraw/zinc/50/84/99/411508499.db2.gz UDPRPRAZKXFNKQ-LVQVYYBASA-N 1 3 248.414 2.450 20 0 BEADHO C([C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CCCC1 ZINC000659949029 411508500 /nfs/dbraw/zinc/50/85/00/411508500.db2.gz UDPRPRAZKXFNKQ-LVQVYYBASA-N 1 3 248.414 2.450 20 0 BEADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nccs1 ZINC000655805378 411519441 /nfs/dbraw/zinc/51/94/41/411519441.db2.gz MVDNBKPSSVJHTA-GARJFASQSA-N 1 3 239.388 2.134 20 0 BEADHO Cc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000655826074 411525387 /nfs/dbraw/zinc/52/53/87/411525387.db2.gz PLPXGAJMMGAHKR-TXEJJXNPSA-N 1 3 222.332 2.018 20 0 BEADHO C1=CCC(C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000660003208 411526244 /nfs/dbraw/zinc/52/62/44/411526244.db2.gz GUJNLAMAVUEZJY-UHFFFAOYSA-N 1 3 243.354 2.170 20 0 BEADHO CCN1CC[C@H](C[NH2+]Cc2ccc(OC)cc2)C1 ZINC000037643745 170015839 /nfs/dbraw/zinc/01/58/39/170015839.db2.gz HFYVBKZQCLMAQM-CQSZACIVSA-N 1 3 248.370 2.127 20 0 BEADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000224996949 170015917 /nfs/dbraw/zinc/01/59/17/170015917.db2.gz MHZUPRZVHCWLDL-ZIAGYGMSSA-N 1 3 222.376 2.274 20 0 BEADHO CC[NH2+]CC1CCN([C@H](C)c2ccncc2)CC1 ZINC000131498708 411546293 /nfs/dbraw/zinc/54/62/93/411546293.db2.gz KLHCEEVUOHHJIE-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO C([NH2+]C[C@H]1CCCN(CC2CC2)C1)C1CC1 ZINC000663347069 411634297 /nfs/dbraw/zinc/63/42/97/411634297.db2.gz YWUIKBXVRYDWCM-CQSZACIVSA-N 1 3 222.376 2.108 20 0 BEADHO CCN(CC)CCC[NH2+]C1CC(CF)(CF)C1 ZINC000657815047 411604193 /nfs/dbraw/zinc/60/41/93/411604193.db2.gz GCFRREPKGSMTOI-UHFFFAOYSA-N 1 3 248.361 2.396 20 0 BEADHO COC1([C@@H](C)NCCC[N@H+](C)C(C)C)CCC1 ZINC000657829872 411609248 /nfs/dbraw/zinc/60/92/48/411609248.db2.gz ATTJOQAHOZGALA-CYBMUJFWSA-N 1 3 242.407 2.264 20 0 BEADHO COC1([C@@H](C)NCCC[N@@H+](C)C(C)C)CCC1 ZINC000657829872 411609250 /nfs/dbraw/zinc/60/92/50/411609250.db2.gz ATTJOQAHOZGALA-CYBMUJFWSA-N 1 3 242.407 2.264 20 0 BEADHO COC1([C@@H](C)[NH2+]CCCN(C)C(C)C)CCC1 ZINC000657829872 411609252 /nfs/dbraw/zinc/60/92/52/411609252.db2.gz ATTJOQAHOZGALA-CYBMUJFWSA-N 1 3 242.407 2.264 20 0 BEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657843491 411610577 /nfs/dbraw/zinc/61/05/77/411610577.db2.gz ZDNNABBLQLFZOC-CHWSQXEVSA-N 1 3 242.432 2.204 20 0 BEADHO CC1CC([NH2+]C[C@H]2CCCN(CC3CC3)C2)C1 ZINC000663466386 411666494 /nfs/dbraw/zinc/66/64/94/411666494.db2.gz SCDYGVWMVNZYHT-HNFVBEJKSA-N 1 3 236.403 2.497 20 0 BEADHO C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C12CC(C1)CN2 ZINC000663497284 411678377 /nfs/dbraw/zinc/67/83/77/411678377.db2.gz CSWLDTULWRSCTL-INTODGSJSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@@H]1CCCC[C@@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000663497284 411678379 /nfs/dbraw/zinc/67/83/79/411678379.db2.gz CSWLDTULWRSCTL-INTODGSJSA-N 1 3 234.387 2.297 20 0 BEADHO C([NH2+]C1CCCCCC1)C12CC(C1)CN2 ZINC000663497363 411678647 /nfs/dbraw/zinc/67/86/47/411678647.db2.gz FVDLOPBQQQTVTO-UHFFFAOYSA-N 1 3 208.349 2.051 20 0 BEADHO C(NC1CCCCCC1)C12CC(C1)C[NH2+]2 ZINC000663497363 411678652 /nfs/dbraw/zinc/67/86/52/411678652.db2.gz FVDLOPBQQQTVTO-UHFFFAOYSA-N 1 3 208.349 2.051 20 0 BEADHO Cc1ccccc1C[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000663497073 411678904 /nfs/dbraw/zinc/67/89/04/411678904.db2.gz BBSCUVKERYKDQZ-VQCLRJIVSA-N 1 3 244.382 2.268 20 0 BEADHO C([NH2+][C@H]1CCCC[C@H]1C1CC1)C12CC(C1)CN2 ZINC000663497283 411679333 /nfs/dbraw/zinc/67/93/33/411679333.db2.gz CSWLDTULWRSCTL-IFFKYPLHSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@H]1CCCC[C@H]1C1CC1)C12CC(C1)C[NH2+]2 ZINC000663497283 411679337 /nfs/dbraw/zinc/67/93/37/411679337.db2.gz CSWLDTULWRSCTL-IFFKYPLHSA-N 1 3 234.387 2.297 20 0 BEADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC12CC(C1)CN2 ZINC000663497550 411679382 /nfs/dbraw/zinc/67/93/82/411679382.db2.gz HEEWQDWVWCUBEM-ZOODHJKOSA-N 1 3 248.345 2.098 20 0 BEADHO CC[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497777 411679598 /nfs/dbraw/zinc/67/95/98/411679598.db2.gz JVPPRTLRGUKHNS-ZIHBUVQPSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497777 411679602 /nfs/dbraw/zinc/67/96/02/411679602.db2.gz JVPPRTLRGUKHNS-ZIHBUVQPSA-N 1 3 222.376 2.297 20 0 BEADHO C([NH2+][C@H]1CCC[C@H](C2CC2)C1)C12CC(C1)CN2 ZINC000663498569 411680561 /nfs/dbraw/zinc/68/05/61/411680561.db2.gz QENBSCXGIGXVPI-IFFKYPLHSA-N 1 3 234.387 2.297 20 0 BEADHO C(N[C@H]1CCC[C@H](C2CC2)C1)C12CC(C1)C[NH2+]2 ZINC000663498569 411680568 /nfs/dbraw/zinc/68/05/68/411680568.db2.gz QENBSCXGIGXVPI-IFFKYPLHSA-N 1 3 234.387 2.297 20 0 BEADHO COC[C@H](CC(C)C)NCC[C@@H]([NH3+])C(C)C ZINC000663502391 411686531 /nfs/dbraw/zinc/68/65/31/411686531.db2.gz HSYHSNFGWSEULS-QWHCGFSZSA-N 1 3 230.396 2.011 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H](C)CCCC(F)(F)F ZINC000663514158 411695677 /nfs/dbraw/zinc/69/56/77/411695677.db2.gz NQQGLUZISGARKQ-RKDXNWHRSA-N 1 3 226.286 2.305 20 0 BEADHO CC[C@H](C[C@@H](C)CC)N[C@@H](C)C[NH2+]C ZINC000663514826 411697574 /nfs/dbraw/zinc/69/75/74/411697574.db2.gz UKOQVGFPTSSVHV-SDDRHHMPSA-N 1 3 200.370 2.399 20 0 BEADHO C[C@H](CCN1CC[C@@H]2C[C@@H]2C1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970396 411927881 /nfs/dbraw/zinc/92/78/81/411927881.db2.gz LFXKSGXKZNGCPF-LJIZCISZSA-N 1 3 248.414 2.449 20 0 BEADHO C[C@H](CCN1CC[C@@H]2C[C@@H]2C1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661970396 411927887 /nfs/dbraw/zinc/92/78/87/411927887.db2.gz LFXKSGXKZNGCPF-LJIZCISZSA-N 1 3 248.414 2.449 20 0 BEADHO C[NH2+]C[C@@H]1CCN(CCCC2CCC2)C1 ZINC000662244146 412039309 /nfs/dbraw/zinc/03/93/09/412039309.db2.gz DHIFCVGZEZZVHG-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCC1CCC1 ZINC000662265502 412056744 /nfs/dbraw/zinc/05/67/44/412056744.db2.gz PRZLWABROQEWKW-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCC1CCC1 ZINC000662265502 412056748 /nfs/dbraw/zinc/05/67/48/412056748.db2.gz PRZLWABROQEWKW-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662278164 412070867 /nfs/dbraw/zinc/07/08/67/412070867.db2.gz XAKHIWVKFUKSII-RNJOBUHISA-N 1 3 222.376 2.010 20 0 BEADHO CC(C)=CCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662278476 412070918 /nfs/dbraw/zinc/07/09/18/412070918.db2.gz YBEMZFUVVHBASO-CQSZACIVSA-N 1 3 222.376 2.418 20 0 BEADHO CO[C@@H](C[NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1 ZINC000662282243 412073236 /nfs/dbraw/zinc/07/32/36/412073236.db2.gz DVWKUZIRSDJNKM-KFWWJZLASA-N 1 3 248.370 2.234 20 0 BEADHO C[C@@H]1CCC[N@H+](CC2CC=CC2)[C@H]1CCN ZINC000662285851 412078042 /nfs/dbraw/zinc/07/80/42/412078042.db2.gz NSCGGZTULOXDKW-OCCSQVGLSA-N 1 3 222.376 2.402 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC2CC=CC2)[C@H]1CCN ZINC000662285851 412078047 /nfs/dbraw/zinc/07/80/47/412078047.db2.gz NSCGGZTULOXDKW-OCCSQVGLSA-N 1 3 222.376 2.402 20 0 BEADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000662283829 412074625 /nfs/dbraw/zinc/07/46/25/412074625.db2.gz QICMVCVIGSAZPJ-ARSDKDGVSA-N 1 3 236.403 2.338 20 0 BEADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000662283829 412074627 /nfs/dbraw/zinc/07/46/27/412074627.db2.gz QICMVCVIGSAZPJ-ARSDKDGVSA-N 1 3 236.403 2.338 20 0 BEADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336681994 171365240 /nfs/dbraw/zinc/36/52/40/171365240.db2.gz HZZLKXLCXJBUOL-SDDRHHMPSA-N 1 3 200.370 2.208 20 0 BEADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)OC ZINC000362974752 171392803 /nfs/dbraw/zinc/39/28/03/171392803.db2.gz BPWJVYBYVPLZIE-FQUUOJAGSA-N 1 3 242.407 2.155 20 0 BEADHO CCC1(CC)CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000662308680 412092983 /nfs/dbraw/zinc/09/29/83/412092983.db2.gz COGHRFQCJOYCAU-ZDUSSCGKSA-N 1 3 224.392 2.498 20 0 BEADHO CCC(CC)CCCN(C)C[C@@](C)(O)C[NH2+]C ZINC000662317735 412098019 /nfs/dbraw/zinc/09/80/19/412098019.db2.gz RMJGTMBTRRWDQN-AWEZNQCLSA-N 1 3 244.423 2.105 20 0 BEADHO CCC(CC)CCC[N@H+](C)C[C@@](C)(O)CNC ZINC000662317735 412098023 /nfs/dbraw/zinc/09/80/23/412098023.db2.gz RMJGTMBTRRWDQN-AWEZNQCLSA-N 1 3 244.423 2.105 20 0 BEADHO CCC(CC)CCC[N@@H+](C)C[C@@](C)(O)CNC ZINC000662317735 412098026 /nfs/dbraw/zinc/09/80/26/412098026.db2.gz RMJGTMBTRRWDQN-AWEZNQCLSA-N 1 3 244.423 2.105 20 0 BEADHO CN(C[C@@H]1CCc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000662322550 412100902 /nfs/dbraw/zinc/10/09/02/412100902.db2.gz NAFDBNYXEDMZFS-ZFWWWQNUSA-N 1 3 244.382 2.258 20 0 BEADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+][C@H]1CCNC1 ZINC000665242739 412176077 /nfs/dbraw/zinc/17/60/77/412176077.db2.gz JCLYVLMQJXVSEH-QNWHQSFQSA-N 1 3 210.365 2.153 20 0 BEADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCNC1 ZINC000665242142 412185377 /nfs/dbraw/zinc/18/53/77/412185377.db2.gz LVEJYLCQJPMURG-FVCCEPFGSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000665262252 412205199 /nfs/dbraw/zinc/20/51/99/412205199.db2.gz XCEPZKVALARYFS-UHIISALHSA-N 1 3 218.344 2.389 20 0 BEADHO COCc1csc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000665263454 412206175 /nfs/dbraw/zinc/20/61/75/412206175.db2.gz MLCXYXHZRCZNBV-NXEZZACHSA-N 1 3 242.388 2.110 20 0 BEADHO c1cc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)co1 ZINC000665262930 412206339 /nfs/dbraw/zinc/20/63/39/412206339.db2.gz CGVJYZHFORFSGQ-KFWWJZLASA-N 1 3 248.370 2.332 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000665267359 412210721 /nfs/dbraw/zinc/21/07/21/412210721.db2.gz VIBWSGRADVGMQZ-VWYCJHECSA-N 1 3 232.318 2.009 20 0 BEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]1(C)CC1(F)F ZINC000665267359 412210724 /nfs/dbraw/zinc/21/07/24/412210724.db2.gz VIBWSGRADVGMQZ-VWYCJHECSA-N 1 3 232.318 2.009 20 0 BEADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000665275766 412218785 /nfs/dbraw/zinc/21/87/85/412218785.db2.gz RCBRABSKMWWZFP-MGPQQGTHSA-N 1 3 240.391 2.051 20 0 BEADHO CC(C)=CCC[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665276790 412218879 /nfs/dbraw/zinc/21/88/79/412218879.db2.gz MWHAHHMMMUOZMZ-HSBZDZAISA-N 1 3 222.376 2.463 20 0 BEADHO C[C@@H]1CCC[C@H](C)[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277551 412221112 /nfs/dbraw/zinc/22/11/12/412221112.db2.gz FHIXUYNPPSMRPT-KWPGZKHISA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279648 412222550 /nfs/dbraw/zinc/22/25/50/412222550.db2.gz IJEVFMARUQCIJN-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C[C@@H]1CC[C@H](C)[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000665279648 412222552 /nfs/dbraw/zinc/22/25/52/412222552.db2.gz IJEVFMARUQCIJN-NFMDPKQHSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+]C1CCC2(CC2)CC1)C12CC(C1)CN2 ZINC000665279593 412222560 /nfs/dbraw/zinc/22/25/60/412222560.db2.gz GRIXISBSAIOOIU-UHFFFAOYSA-N 1 3 220.360 2.051 20 0 BEADHO C(NC1CCC2(CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000665279593 412222563 /nfs/dbraw/zinc/22/25/63/412222563.db2.gz GRIXISBSAIOOIU-UHFFFAOYSA-N 1 3 220.360 2.051 20 0 BEADHO C([NH2+]C(C1CCC1)C1CCC1)C12CC(C1)CN2 ZINC000665279611 412222904 /nfs/dbraw/zinc/22/29/04/412222904.db2.gz HENMFGHIHYBGON-UHFFFAOYSA-N 1 3 234.387 2.297 20 0 BEADHO C(NC(C1CCC1)C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665279611 412222908 /nfs/dbraw/zinc/22/29/08/412222908.db2.gz HENMFGHIHYBGON-UHFFFAOYSA-N 1 3 234.387 2.297 20 0 BEADHO CC[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665278787 412223240 /nfs/dbraw/zinc/22/32/40/412223240.db2.gz OUTFCAZSGBTKKA-QPPOZKHWSA-N 1 3 222.376 2.297 20 0 BEADHO CC[C@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665278787 412223243 /nfs/dbraw/zinc/22/32/43/412223243.db2.gz OUTFCAZSGBTKKA-QPPOZKHWSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)[C@H](N)CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000665281313 412226535 /nfs/dbraw/zinc/22/65/35/412226535.db2.gz ZMMTZQBQHFMYLY-OLZOCXBDSA-N 1 3 212.381 2.384 20 0 BEADHO C[NH2+]C[C@H](C)N[C@H](CCC(C)C)C1CC1 ZINC000665297345 412236996 /nfs/dbraw/zinc/23/69/96/412236996.db2.gz DMBYZDSWPYMBGI-WCQYABFASA-N 1 3 212.381 2.399 20 0 BEADHO COc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1C ZINC000665294829 412241061 /nfs/dbraw/zinc/24/10/61/412241061.db2.gz XIGIGBULIMNYGX-MNOVXSKESA-N 1 3 236.359 2.219 20 0 BEADHO C[NH2+]C[C@@H](C)N[C@H](C)C1C(C)(C)C1(C)C ZINC000665296707 412243912 /nfs/dbraw/zinc/24/39/12/412243912.db2.gz WZMOHBPTTIPVBM-NXEZZACHSA-N 1 3 212.381 2.255 20 0 BEADHO C[N@@H+]1CC[C@@]2(CCN(CC3CC(F)(F)C3)C2)C1 ZINC000336268431 173137759 /nfs/dbraw/zinc/13/77/59/173137759.db2.gz LDPCAYYBVBMALG-GFCCVEGCSA-N 1 3 244.329 2.059 20 0 BEADHO C[N@H+]1CC[C@@]2(CCN(CC3CC(F)(F)C3)C2)C1 ZINC000336268431 173137761 /nfs/dbraw/zinc/13/77/61/173137761.db2.gz LDPCAYYBVBMALG-GFCCVEGCSA-N 1 3 244.329 2.059 20 0 BEADHO CN1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC000193644834 173197825 /nfs/dbraw/zinc/19/78/25/173197825.db2.gz SLBOQABSKMJLDL-PIEANVHJSA-N 1 3 242.366 2.193 20 0 BEADHO CN1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2C1 ZINC000193644834 173197826 /nfs/dbraw/zinc/19/78/26/173197826.db2.gz SLBOQABSKMJLDL-PIEANVHJSA-N 1 3 242.366 2.193 20 0 BEADHO C[NH2+]C1CCN(CC2CCC(C)CC2)CC1 ZINC000063145716 173322518 /nfs/dbraw/zinc/32/25/18/173322518.db2.gz JESYLEIACSEUBZ-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000063145716 173322519 /nfs/dbraw/zinc/32/25/19/173322519.db2.gz JESYLEIACSEUBZ-UHFFFAOYSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]C1CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000234346039 173323368 /nfs/dbraw/zinc/32/33/68/173323368.db2.gz PNKGTKHDIOWYRG-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO CNC1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000234346039 173323370 /nfs/dbraw/zinc/32/33/70/173323370.db2.gz PNKGTKHDIOWYRG-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[NH2+]CCC1CCN([C@H](C)c2cccnc2)CC1 ZINC000070188722 173343087 /nfs/dbraw/zinc/34/30/87/173343087.db2.gz OEGKDJBJIOKHNH-CYBMUJFWSA-N 1 3 247.386 2.464 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000040601053 173367618 /nfs/dbraw/zinc/36/76/18/173367618.db2.gz SJLPYUCFNUVRSH-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000040601053 173367619 /nfs/dbraw/zinc/36/76/19/173367619.db2.gz SJLPYUCFNUVRSH-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO C[NH2+]C[C@@H]1CCCN(CCC(C)(C)C)C1 ZINC000040601053 173367620 /nfs/dbraw/zinc/36/76/20/173367620.db2.gz SJLPYUCFNUVRSH-LBPRGKRZSA-N 1 3 212.381 2.354 20 0 BEADHO CNC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000042375123 173368270 /nfs/dbraw/zinc/36/82/70/173368270.db2.gz RYLQTDUYNCVYLE-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO CNC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000042375123 173368271 /nfs/dbraw/zinc/36/82/71/173368271.db2.gz RYLQTDUYNCVYLE-ZDUSSCGKSA-N 1 3 210.365 2.108 20 0 BEADHO COCCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179970 174339810 /nfs/dbraw/zinc/33/98/10/174339810.db2.gz ZSZVWMSKYUHTIH-LSDHHAIUSA-N 1 3 248.370 2.058 20 0 BEADHO COCCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340179970 174339812 /nfs/dbraw/zinc/33/98/12/174339812.db2.gz ZSZVWMSKYUHTIH-LSDHHAIUSA-N 1 3 248.370 2.058 20 0 BEADHO COc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000105480714 175112282 /nfs/dbraw/zinc/11/22/82/175112282.db2.gz DXMIZAQHJGFTMO-WFASDCNBSA-N 1 3 248.370 2.125 20 0 BEADHO COc1ccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000105480714 175112284 /nfs/dbraw/zinc/11/22/84/175112284.db2.gz DXMIZAQHJGFTMO-WFASDCNBSA-N 1 3 248.370 2.125 20 0 BEADHO COc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000105480712 175112353 /nfs/dbraw/zinc/11/23/53/175112353.db2.gz DXMIZAQHJGFTMO-DOMZBBRYSA-N 1 3 248.370 2.125 20 0 BEADHO COc1ccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000105480712 175112354 /nfs/dbraw/zinc/11/23/54/175112354.db2.gz DXMIZAQHJGFTMO-DOMZBBRYSA-N 1 3 248.370 2.125 20 0 BEADHO COc1cccc([C@@H](C)[NH2+]CC2(N)CCC2)c1 ZINC000342125503 175287056 /nfs/dbraw/zinc/28/70/56/175287056.db2.gz IWXWADPGSGIJQN-LLVKDONJSA-N 1 3 234.343 2.227 20 0 BEADHO COc1cccc([C@H](C)N2CC[C@@H](C[NH3+])C2)c1 ZINC000224194779 175292547 /nfs/dbraw/zinc/29/25/47/175292547.db2.gz VCXTXKXNJZLDCD-RYUDHWBXSA-N 1 3 234.343 2.037 20 0 BEADHO CSC1(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000309728988 175454019 /nfs/dbraw/zinc/45/40/19/175454019.db2.gz ZABOWUIHRNPWNX-RYUDHWBXSA-N 1 3 242.432 2.344 20 0 BEADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cccc(F)c1 ZINC000308972842 175708602 /nfs/dbraw/zinc/70/86/02/175708602.db2.gz HFXJGVYXYOVKKC-VHSXEESVSA-N 1 3 210.296 2.071 20 0 BEADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CC1(C)C ZINC000309444122 175876380 /nfs/dbraw/zinc/87/63/80/175876380.db2.gz KXKPWEVJLZHUNY-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](CN)C1 ZINC000042864490 176076998 /nfs/dbraw/zinc/07/69/98/176076998.db2.gz MUDOHBMQSDVBSE-JHJVBQTASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](CN)C1 ZINC000042864490 176076999 /nfs/dbraw/zinc/07/69/99/176076999.db2.gz MUDOHBMQSDVBSE-JHJVBQTASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607811 176080723 /nfs/dbraw/zinc/08/07/23/176080723.db2.gz HVBMYMZDXBTGKI-OCCSQVGLSA-N 1 3 222.376 2.417 20 0 BEADHO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222891064 176081978 /nfs/dbraw/zinc/08/19/78/176081978.db2.gz PNVTXFIWCYSUKC-LPWJVIDDSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](CN)C1 ZINC000042864495 176084294 /nfs/dbraw/zinc/08/42/94/176084294.db2.gz MUDOHBMQSDVBSE-UPJWGTAASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](CN)C1 ZINC000042864495 176084296 /nfs/dbraw/zinc/08/42/96/176084296.db2.gz MUDOHBMQSDVBSE-UPJWGTAASA-N 1 3 210.365 2.093 20 0 BEADHO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(N)CC1 ZINC000042864224 176084863 /nfs/dbraw/zinc/08/48/63/176084863.db2.gz MSOIOGBQIGFUAE-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCCC[C@H]1CN1CCC([NH3+])CC1 ZINC000042864224 176084864 /nfs/dbraw/zinc/08/48/64/176084864.db2.gz MSOIOGBQIGFUAE-NEPJUHHUSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000252215429 176131637 /nfs/dbraw/zinc/13/16/37/176131637.db2.gz XNDMLUZBOMACPW-MROQNXINSA-N 1 3 210.365 2.282 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000227572215 176137888 /nfs/dbraw/zinc/13/78/88/176137888.db2.gz KPKMVIXWUOYEPM-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](CN)C2)C1 ZINC000227572215 176137890 /nfs/dbraw/zinc/13/78/90/176137890.db2.gz KPKMVIXWUOYEPM-RDBSUJKOSA-N 1 3 224.392 2.483 20 0 BEADHO C[C@@H]1CCC[C@H](C[NH2+]C2CCNCC2)C1 ZINC000235366979 176138777 /nfs/dbraw/zinc/13/87/77/176138777.db2.gz AZNKFFCOWTVZBM-NEPJUHHUSA-N 1 3 210.365 2.154 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)CN(C)C ZINC000336655855 176144440 /nfs/dbraw/zinc/14/44/40/176144440.db2.gz ABWPWNHMHVEWOJ-UPJWGTAASA-N 1 3 212.381 2.352 20 0 BEADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000251576318 176145556 /nfs/dbraw/zinc/14/55/56/176145556.db2.gz BWEDVWQSUBGHHW-NDBYEHHHSA-N 1 3 210.365 2.425 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000336717142 176217887 /nfs/dbraw/zinc/21/78/87/176217887.db2.gz XUVHLWQQVGGQPA-NDBYEHHHSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336717142 176217888 /nfs/dbraw/zinc/21/78/88/176217888.db2.gz XUVHLWQQVGGQPA-NDBYEHHHSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336717142 176217890 /nfs/dbraw/zinc/21/78/90/176217890.db2.gz XUVHLWQQVGGQPA-NDBYEHHHSA-N 1 3 208.349 2.001 20 0 BEADHO C[C@@H]1CN(CCc2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000049708186 176293575 /nfs/dbraw/zinc/29/35/75/176293575.db2.gz LKJRAQRTOSXBCU-RISCZKNCSA-N 1 3 236.334 2.037 20 0 BEADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000336467902 176293616 /nfs/dbraw/zinc/29/36/16/176293616.db2.gz UKGXMDKELSLFON-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCN2C)CCS1 ZINC000336467902 176293619 /nfs/dbraw/zinc/29/36/19/176293619.db2.gz UKGXMDKELSLFON-CHWSQXEVSA-N 1 3 242.432 2.298 20 0 BEADHO C[C@H]1CCCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000069944955 177070417 /nfs/dbraw/zinc/07/04/17/177070417.db2.gz QVQFCDZOIQMHDA-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000069944955 177070419 /nfs/dbraw/zinc/07/04/19/177070419.db2.gz QVQFCDZOIQMHDA-QWHCGFSZSA-N 1 3 210.365 2.251 20 0 BEADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCSC1 ZINC000019912921 177074814 /nfs/dbraw/zinc/07/48/14/177074814.db2.gz SMJFOKQZKVIBGJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCSC1 ZINC000019912921 177074816 /nfs/dbraw/zinc/07/48/16/177074816.db2.gz SMJFOKQZKVIBGJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCSC1 ZINC000019912921 177074818 /nfs/dbraw/zinc/07/48/18/177074818.db2.gz SMJFOKQZKVIBGJ-QWHCGFSZSA-N 1 3 242.432 2.346 20 0 BEADHO C[C@H]1C[N@H+](CC2CCCCC2)CC[C@@H]1N ZINC000049710705 177246296 /nfs/dbraw/zinc/24/62/96/177246296.db2.gz JDTXEYQOJHLZCZ-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCCCC2)CC[C@@H]1N ZINC000049710705 177246298 /nfs/dbraw/zinc/24/62/98/177246298.db2.gz JDTXEYQOJHLZCZ-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1CN(CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000049710705 177246300 /nfs/dbraw/zinc/24/63/00/177246300.db2.gz JDTXEYQOJHLZCZ-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H]2CCCNC2)C1 ZINC000229420706 177313240 /nfs/dbraw/zinc/31/32/40/177313240.db2.gz LESAHKZIPUPBGK-XJFOESAGSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000229420706 177313242 /nfs/dbraw/zinc/31/32/42/177313242.db2.gz LESAHKZIPUPBGK-XJFOESAGSA-N 1 3 224.392 2.352 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCC1CCCC1 ZINC000049713046 177326424 /nfs/dbraw/zinc/32/64/24/177326424.db2.gz OCGLWQCRBLRXMP-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H](N)CC[N@H+]1CCC1CCCC1 ZINC000049713046 177326426 /nfs/dbraw/zinc/32/64/26/177326426.db2.gz OCGLWQCRBLRXMP-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC1CCCC1 ZINC000049713046 177326428 /nfs/dbraw/zinc/32/64/28/177326428.db2.gz OCGLWQCRBLRXMP-AAEUAGOBSA-N 1 3 210.365 2.378 20 0 BEADHO C[C@H]1C[C@@H](NCCc2ccccc2O)CC[N@@H+]1C ZINC000154920269 177332535 /nfs/dbraw/zinc/33/25/35/177332535.db2.gz IHAAYCHBXCUWIN-JSGCOSHPSA-N 1 3 248.370 2.007 20 0 BEADHO C[C@H]1C[C@@H](NCCc2ccccc2O)CC[N@H+]1C ZINC000154920269 177332536 /nfs/dbraw/zinc/33/25/36/177332536.db2.gz IHAAYCHBXCUWIN-JSGCOSHPSA-N 1 3 248.370 2.007 20 0 BEADHO C[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)[C@@H](C)C1 ZINC000226170910 177357023 /nfs/dbraw/zinc/35/70/23/177357023.db2.gz VPWYBMUIIVTFQE-NTZNESFSSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000122312674 177361292 /nfs/dbraw/zinc/36/12/92/177361292.db2.gz CGUUJETWSSGYCW-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCCCC1 ZINC000122312674 177361293 /nfs/dbraw/zinc/36/12/93/177361293.db2.gz CGUUJETWSSGYCW-WCQYABFASA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc2c(c1)CCC2 ZINC000131760200 177361563 /nfs/dbraw/zinc/36/15/63/177361563.db2.gz OXGZFWVRIBTNJD-GXTWGEPZSA-N 1 3 244.382 2.344 20 0 BEADHO CCC[NH+]1CCC(N[C@H](C)[C@H]2CC2(F)F)CC1 ZINC000666227575 487648461 /nfs/dbraw/zinc/64/84/61/487648461.db2.gz OOLXVPJXBGIWDE-ZYHUDNBSSA-N 1 3 246.345 2.494 20 0 BEADHO C[C@H](N[C@@H]1CC2CCC1CC2)[C@H]1CCC[NH2+]1 ZINC000400690096 226349620 /nfs/dbraw/zinc/34/96/20/226349620.db2.gz YVEBUJKQOROWDE-YOMYCBHVSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@H]1CCCN1 ZINC000400690096 226349621 /nfs/dbraw/zinc/34/96/21/226349621.db2.gz YVEBUJKQOROWDE-YOMYCBHVSA-N 1 3 222.376 2.295 20 0 BEADHO CCCCOCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397338386 262730086 /nfs/dbraw/zinc/73/00/86/262730086.db2.gz ZAYQNTLECAVDDW-RDBSUJKOSA-N 1 3 242.407 2.108 20 0 BEADHO CNC[C@H]1CC[N@H+](C[C@H](C)C(C)(C)C)C1 ZINC000162989324 487677003 /nfs/dbraw/zinc/67/70/03/487677003.db2.gz RXFKURYNWJQPFN-NWDGAFQWSA-N 1 3 212.381 2.210 20 0 BEADHO CNC[C@H]1CC[N@@H+](C[C@H](C)C(C)(C)C)C1 ZINC000162989324 487677007 /nfs/dbraw/zinc/67/70/07/487677007.db2.gz RXFKURYNWJQPFN-NWDGAFQWSA-N 1 3 212.381 2.210 20 0 BEADHO CCC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000233279145 487704554 /nfs/dbraw/zinc/70/45/54/487704554.db2.gz IDVMMLVBKMBHLU-VXGBXAGGSA-N 1 3 210.365 2.439 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000414851161 487709786 /nfs/dbraw/zinc/70/97/86/487709786.db2.gz OQANYDUFWXNJIL-FRRDWIJNSA-N 1 3 212.381 2.258 20 0 BEADHO CNC[C@H](C)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000414851162 487710422 /nfs/dbraw/zinc/71/04/22/487710422.db2.gz OQANYDUFWXNJIL-RWMBFGLXSA-N 1 3 212.381 2.258 20 0 BEADHO CCC[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](CC)C1 ZINC000251363586 487754638 /nfs/dbraw/zinc/75/46/38/487754638.db2.gz SQABZFBHKYFATE-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CCC[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](CC)C1 ZINC000251363586 487754639 /nfs/dbraw/zinc/75/46/39/487754639.db2.gz SQABZFBHKYFATE-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO Cc1cccc([C@H]2CCN(CCC[NH3+])C2)c1 ZINC000414739951 487820302 /nfs/dbraw/zinc/82/03/02/487820302.db2.gz CMRQNHSLHMBRKK-AWEZNQCLSA-N 1 3 218.344 2.133 20 0 BEADHO Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)cn1 ZINC000414932889 487830231 /nfs/dbraw/zinc/83/02/31/487830231.db2.gz WDMANDTWGROWHG-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403345040 322954526 /nfs/dbraw/zinc/95/45/26/322954526.db2.gz JROVBPHKGMLYNA-ITGHMWBKSA-N 1 3 222.376 2.282 20 0 BEADHO CCc1ccc(C[NH2+][C@@H]2CCNC[C@H]2C)s1 ZINC000309331797 487867263 /nfs/dbraw/zinc/86/72/63/487867263.db2.gz IYPGJGPJIAKXAB-ZWNOBZJWSA-N 1 3 238.400 2.398 20 0 BEADHO CC(C)[C@H](N)C[NH2+]Cc1ccc2cnccc2c1 ZINC000666741260 487869168 /nfs/dbraw/zinc/86/91/68/487869168.db2.gz HGIOPOMSFYNDHP-OAHLLOKOSA-N 1 3 243.354 2.308 20 0 BEADHO CC(C)(CNC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000666834256 487881608 /nfs/dbraw/zinc/88/16/08/487881608.db2.gz LOPSKEFVNJAJAE-AWEZNQCLSA-N 1 3 232.371 2.291 20 0 BEADHO CC(C)(CNCC1([NH3+])CCC1)c1ccccc1 ZINC000666828742 487888180 /nfs/dbraw/zinc/88/81/80/487888180.db2.gz CXCCIXMJFWNYNX-UHFFFAOYSA-N 1 3 232.371 2.435 20 0 BEADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCCNCC1 ZINC000666858016 487891685 /nfs/dbraw/zinc/89/16/85/487891685.db2.gz SVUPTBDQLGHCMX-VHSXEESVSA-N 1 3 238.297 2.449 20 0 BEADHO CC[C@@H]([NH3+])CNCC(C)(C)c1ccccc1 ZINC000666910414 487901795 /nfs/dbraw/zinc/90/17/95/487901795.db2.gz DYIUIGGSHPTOIW-CYBMUJFWSA-N 1 3 220.360 2.291 20 0 BEADHO C[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)[C@@H]1CCN ZINC000404296872 487917320 /nfs/dbraw/zinc/91/73/20/487917320.db2.gz OBYNMRCZALQCJE-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO C[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)[C@@H]1CCN ZINC000404296872 487917325 /nfs/dbraw/zinc/91/73/25/487917325.db2.gz OBYNMRCZALQCJE-MGPQQGTHSA-N 1 3 240.391 2.005 20 0 BEADHO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000126023793 487938745 /nfs/dbraw/zinc/93/87/45/487938745.db2.gz JHDLNWFINJHWCL-JHJVBQTASA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)CC1 ZINC000235288655 487939639 /nfs/dbraw/zinc/93/96/39/487939639.db2.gz ZEQBXCGKKDZRQM-ZIAGYGMSSA-N 1 3 242.407 2.123 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccnc2ccccc12 ZINC000564970365 322984224 /nfs/dbraw/zinc/98/42/24/322984224.db2.gz JTFBWNZQOYZSRT-RYUDHWBXSA-N 1 3 243.354 2.450 20 0 BEADHO CC[C@H]([NH2+]CCCNC(C)C)[C@H]1C[C@@H]1C ZINC000562956421 323034822 /nfs/dbraw/zinc/03/48/22/323034822.db2.gz SUMPYHRWEXDVAL-AVGNSLFASA-N 1 3 212.381 2.399 20 0 BEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1cccs1 ZINC000569801914 323041083 /nfs/dbraw/zinc/04/10/83/323041083.db2.gz RXQZBSBBKMFFBB-AAEUAGOBSA-N 1 3 238.400 2.398 20 0 BEADHO CN1CCC[C@H]2C[N@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904072 323043996 /nfs/dbraw/zinc/04/39/96/323043996.db2.gz CVXSMHBKIYJEFW-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CN1CCC[C@H]2C[N@@H+](CC3(C)CC3)CC[C@H]21 ZINC000569904072 323043997 /nfs/dbraw/zinc/04/39/97/323043997.db2.gz CVXSMHBKIYJEFW-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)C[C@@H]2C)CCO1 ZINC000563350988 323120060 /nfs/dbraw/zinc/12/00/60/323120060.db2.gz UOQXEALTPGSJKX-REWJHTLYSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)C[C@@H]2C)CCO1 ZINC000563350988 323120061 /nfs/dbraw/zinc/12/00/61/323120061.db2.gz UOQXEALTPGSJKX-REWJHTLYSA-N 1 3 240.391 2.003 20 0 BEADHO CC[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000563350988 323120062 /nfs/dbraw/zinc/12/00/62/323120062.db2.gz UOQXEALTPGSJKX-REWJHTLYSA-N 1 3 240.391 2.003 20 0 BEADHO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CN1CCCC1 ZINC000408510379 323120590 /nfs/dbraw/zinc/12/05/90/323120590.db2.gz NFIWDWRFZSIXOJ-BARDWOONSA-N 1 3 236.403 2.497 20 0 BEADHO C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000415009643 323152543 /nfs/dbraw/zinc/15/25/43/323152543.db2.gz GDPDHYFFKWDLCO-XCCSTKFXSA-N 1 3 218.344 2.115 20 0 BEADHO C[C@H]1C[N@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530211577 323211752 /nfs/dbraw/zinc/21/17/52/323211752.db2.gz MPYXEOLXLXVZHI-CMPLNLGQSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1C[N@@H+](CC2CC(C)(C)C2)CC[C@H]1N ZINC000530211577 323211753 /nfs/dbraw/zinc/21/17/53/323211753.db2.gz MPYXEOLXLXVZHI-CMPLNLGQSA-N 1 3 210.365 2.092 20 0 BEADHO C[C@H]1CN(CC2CC(C)(C)C2)CC[C@H]1[NH3+] ZINC000530211577 323211754 /nfs/dbraw/zinc/21/17/54/323211754.db2.gz MPYXEOLXLXVZHI-CMPLNLGQSA-N 1 3 210.365 2.092 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000530217071 323217199 /nfs/dbraw/zinc/21/71/99/323217199.db2.gz FCFVPJNMQIDJIK-HZSPNIEDSA-N 1 3 222.376 2.450 20 0 BEADHO CCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397339383 324213211 /nfs/dbraw/zinc/21/32/11/324213211.db2.gz VBHNJPVWBHBDFS-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO CCCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397339383 324213216 /nfs/dbraw/zinc/21/32/16/324213216.db2.gz VBHNJPVWBHBDFS-AVGNSLFASA-N 1 3 212.381 2.482 20 0 BEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530215989 324532666 /nfs/dbraw/zinc/53/26/66/324532666.db2.gz LKHRGPUYSXWMOP-OLZOCXBDSA-N 1 3 208.349 2.060 20 0 BEADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](C)c1ccncc1 ZINC000530242718 324553449 /nfs/dbraw/zinc/55/34/49/324553449.db2.gz CTIUGBLDDHKXOK-NFAWXSAZSA-N 1 3 247.386 2.305 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000131472386 325154991 /nfs/dbraw/zinc/15/49/91/325154991.db2.gz PJJHNFWGCKUZLM-ZDUSSCGKSA-N 1 3 242.407 2.123 20 0 BEADHO N[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000086403282 325614390 /nfs/dbraw/zinc/61/43/90/325614390.db2.gz WDQFDVNLLKGOGP-STQMWFEESA-N 1 3 210.365 2.426 20 0 BEADHO COC[C@H](CC(C)C)NCCC[NH2+]C(C)C ZINC000567490170 326203702 /nfs/dbraw/zinc/20/37/02/326203702.db2.gz XCCYQIAQUTZIRV-ZDUSSCGKSA-N 1 3 230.396 2.025 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCCCO2)C1 ZINC000568249011 326334802 /nfs/dbraw/zinc/33/48/02/326334802.db2.gz DTCFWNNMAMNELH-HZSPNIEDSA-N 1 3 240.391 2.195 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCCCO2)C1 ZINC000568249014 326334810 /nfs/dbraw/zinc/33/48/10/326334810.db2.gz DTCFWNNMAMNELH-RDBSUJKOSA-N 1 3 240.391 2.195 20 0 BEADHO C[C@@H](CCc1ccccc1)[NH2+]CC12CC(C1)CN2 ZINC000663497083 488045850 /nfs/dbraw/zinc/04/58/50/488045850.db2.gz BFOIFAOCEVBEAA-JEYLPNPQSA-N 1 3 244.382 2.349 20 0 BEADHO CC(C)C[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000669512427 488118889 /nfs/dbraw/zinc/11/88/89/488118889.db2.gz SGGWSVGFBJVDFK-GXFFZTMASA-N 1 3 249.358 2.018 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403506644 488124125 /nfs/dbraw/zinc/12/41/25/488124125.db2.gz BAQZPTLXGCIHPS-MRTXSQPYSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403506644 488124129 /nfs/dbraw/zinc/12/41/29/488124129.db2.gz BAQZPTLXGCIHPS-MRTXSQPYSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1CN ZINC000403676142 488130187 /nfs/dbraw/zinc/13/01/87/488130187.db2.gz VQKPSJBUTWGCDH-ARILJUKYSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1CN ZINC000403676142 488130193 /nfs/dbraw/zinc/13/01/93/488130193.db2.gz VQKPSJBUTWGCDH-ARILJUKYSA-N 1 3 236.403 2.339 20 0 BEADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1N ZINC000403448159 487544034 /nfs/dbraw/zinc/54/40/34/487544034.db2.gz XMBYBCVMRXEWDR-POQQGIQPSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1N ZINC000403448159 487544039 /nfs/dbraw/zinc/54/40/39/487544039.db2.gz XMBYBCVMRXEWDR-POQQGIQPSA-N 1 3 222.376 2.092 20 0 BEADHO C[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000403448159 487544047 /nfs/dbraw/zinc/54/40/47/487544047.db2.gz XMBYBCVMRXEWDR-POQQGIQPSA-N 1 3 222.376 2.092 20 0 BEADHO Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccn1 ZINC000391180348 487474385 /nfs/dbraw/zinc/47/43/85/487474385.db2.gz JWVQGKPASVGVFM-GOOCMWNKSA-N 1 3 245.370 2.105 20 0 BEADHO CC[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1N ZINC000022130142 487478354 /nfs/dbraw/zinc/47/83/54/487478354.db2.gz JBWFBMMQKGBHTC-CABCVRRESA-N 1 3 232.371 2.288 20 0 BEADHO CC[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1N ZINC000022130142 487478356 /nfs/dbraw/zinc/47/83/56/487478356.db2.gz JBWFBMMQKGBHTC-CABCVRRESA-N 1 3 232.371 2.288 20 0 BEADHO C(NC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000078845398 487487686 /nfs/dbraw/zinc/48/76/86/487487686.db2.gz LXHVWWXETDMGNW-CYBMUJFWSA-N 1 3 210.365 2.298 20 0 BEADHO C[C@@H]1CCC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000300366620 487510908 /nfs/dbraw/zinc/51/09/08/487510908.db2.gz LHIIPHUNEOEBBJ-JHJVBQTASA-N 1 3 210.365 2.297 20 0 BEADHO CC[C@H](CC(F)F)CN(C)C1CC([NH3+])C1 ZINC000662274265 487523162 /nfs/dbraw/zinc/52/31/62/487523162.db2.gz SJSIHNYCMFDKSY-XNWIYYODSA-N 1 3 220.307 2.089 20 0 BEADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C(C)(C)C ZINC000310563640 488168932 /nfs/dbraw/zinc/16/89/32/488168932.db2.gz WOTRDOKSYHWAAQ-CHWSQXEVSA-N 1 3 244.423 2.054 20 0 BEADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C(C)(C)C ZINC000310563640 488168934 /nfs/dbraw/zinc/16/89/34/488168934.db2.gz WOTRDOKSYHWAAQ-CHWSQXEVSA-N 1 3 244.423 2.054 20 0 BEADHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000392262187 487535310 /nfs/dbraw/zinc/53/53/10/487535310.db2.gz IVJMFMAPYMNJAY-HZSPNIEDSA-N 1 3 220.360 2.027 20 0 BEADHO CC(C)=CCC[NH2+][C@@H]1CCNCC1(C)C ZINC000397871224 488160469 /nfs/dbraw/zinc/16/04/69/488160469.db2.gz IXMDTFOCEYJJBD-GFCCVEGCSA-N 1 3 210.365 2.320 20 0 BEADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)C(C)(C)C ZINC000310563642 488168852 /nfs/dbraw/zinc/16/88/52/488168852.db2.gz WOTRDOKSYHWAAQ-OLZOCXBDSA-N 1 3 244.423 2.054 20 0 BEADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C(C)(C)C ZINC000310563642 488168853 /nfs/dbraw/zinc/16/88/53/488168853.db2.gz WOTRDOKSYHWAAQ-OLZOCXBDSA-N 1 3 244.423 2.054 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000398799002 488224637 /nfs/dbraw/zinc/22/46/37/488224637.db2.gz NDJLOEGAYJAMKA-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO C[C@H](N)[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000398799002 488224638 /nfs/dbraw/zinc/22/46/38/488224638.db2.gz NDJLOEGAYJAMKA-AAEUAGOBSA-N 1 3 210.365 2.236 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000070325873 490206771 /nfs/dbraw/zinc/20/67/71/490206771.db2.gz JNHZTKZBHGWEIA-ZIAGYGMSSA-N 1 3 242.407 2.266 20 0 BEADHO Cc1cccc(CCN[C@H](C)C[C@@H]2CCC[NH2+]2)n1 ZINC000415111189 490214760 /nfs/dbraw/zinc/21/47/60/490214760.db2.gz UCYNSSHDNIBOCN-HIFRSBDPSA-N 1 3 247.386 2.053 20 0 BEADHO Cc1cccc(CCN[C@H](C)C[C@H]2CCC[NH2+]2)n1 ZINC000415111191 490214899 /nfs/dbraw/zinc/21/48/99/490214899.db2.gz UCYNSSHDNIBOCN-UKRRQHHQSA-N 1 3 247.386 2.053 20 0 BEADHO CC[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000086682311 491124110 /nfs/dbraw/zinc/12/41/10/491124110.db2.gz TUVFFLVNIUDEGE-VIFPVBQESA-N 1 3 210.296 2.173 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000488310704 533722853 /nfs/dbraw/zinc/72/28/53/533722853.db2.gz HJMONTNTFAWEAR-AAVRWANBSA-N 1 3 222.376 2.059 20 0 BEADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000488310704 533722859 /nfs/dbraw/zinc/72/28/59/533722859.db2.gz HJMONTNTFAWEAR-AAVRWANBSA-N 1 3 222.376 2.059 20 0 BEADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000261533336 535935955 /nfs/dbraw/zinc/93/59/55/535935955.db2.gz GSTXXYZVEPBRLU-BXUZGUMPSA-N 1 3 218.344 2.028 20 0 BEADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000261533336 535935957 /nfs/dbraw/zinc/93/59/57/535935957.db2.gz GSTXXYZVEPBRLU-BXUZGUMPSA-N 1 3 218.344 2.028 20 0 BEADHO CC(C)[C@@H]1CC[N@@H+]1CC1CCN(C)CC1 ZINC000892403615 582877439 /nfs/dbraw/zinc/87/74/39/582877439.db2.gz OPIYXLDEFYFKJW-ZDUSSCGKSA-N 1 3 210.365 2.059 20 0 BEADHO CC(C)[C@@H]1CC[N@H+]1CC1CCN(C)CC1 ZINC000892403615 582877441 /nfs/dbraw/zinc/87/74/41/582877441.db2.gz OPIYXLDEFYFKJW-ZDUSSCGKSA-N 1 3 210.365 2.059 20 0 BEADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCSC2)C1 ZINC000494960059 527836996 /nfs/dbraw/zinc/83/69/96/527836996.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 1 3 242.432 2.013 20 0 BEADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCSC2)C1 ZINC000494960059 527836999 /nfs/dbraw/zinc/83/69/99/527836999.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 1 3 242.432 2.013 20 0 BEADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000494960059 527836989 /nfs/dbraw/zinc/83/69/89/527836989.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 1 3 242.432 2.013 20 0 BEADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000494960059 527836994 /nfs/dbraw/zinc/83/69/94/527836994.db2.gz XPQLSXMEVCJQLA-OLZOCXBDSA-N 1 3 242.432 2.013 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000488351655 528176596 /nfs/dbraw/zinc/17/65/96/528176596.db2.gz FSKVYUXDQYLKJT-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000488351655 528176600 /nfs/dbraw/zinc/17/66/00/528176600.db2.gz FSKVYUXDQYLKJT-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488351655 528176604 /nfs/dbraw/zinc/17/66/04/528176604.db2.gz FSKVYUXDQYLKJT-HZSPNIEDSA-N 1 3 224.392 2.306 20 0 BEADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000488351659 528176801 /nfs/dbraw/zinc/17/68/01/528176801.db2.gz FSKVYUXDQYLKJT-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488351659 528176803 /nfs/dbraw/zinc/17/68/03/528176803.db2.gz FSKVYUXDQYLKJT-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488351659 528176807 /nfs/dbraw/zinc/17/68/07/528176807.db2.gz FSKVYUXDQYLKJT-MELADBBJSA-N 1 3 224.392 2.306 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000168770150 535309139 /nfs/dbraw/zinc/30/91/39/535309139.db2.gz VQBZZFNQTVKSCA-VXGBXAGGSA-N 1 3 210.365 2.297 20 0 BEADHO CC(C)OCCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000348205864 535324840 /nfs/dbraw/zinc/32/48/40/535324840.db2.gz ZFFIWPZNAASUGD-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CC(C)OCCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348205864 535324844 /nfs/dbraw/zinc/32/48/44/535324844.db2.gz ZFFIWPZNAASUGD-AWEZNQCLSA-N 1 3 242.407 2.218 20 0 BEADHO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261564571 535421009 /nfs/dbraw/zinc/42/10/09/535421009.db2.gz XTBOXCCVJPHZEX-UTUOFQBUSA-N 1 3 236.359 2.472 20 0 BEADHO CC[N@H+](C[C@@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261995550 535773429 /nfs/dbraw/zinc/77/34/29/535773429.db2.gz SULOQBLFOQKYPQ-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CC[N@@H+](C[C@@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261995550 535773432 /nfs/dbraw/zinc/77/34/32/535773432.db2.gz SULOQBLFOQKYPQ-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CC[C@@H](NC1CCC([NH3+])CC1)c1nccs1 ZINC000086730381 535802796 /nfs/dbraw/zinc/80/27/96/535802796.db2.gz RHGQEURIVLGCGG-VQXHTEKXSA-N 1 3 239.388 2.454 20 0 BEADHO CN(CCC1SCCS1)CC(C)(C)C[NH3+] ZINC000853022898 588716452 /nfs/dbraw/zinc/71/64/52/588716452.db2.gz HBDPDLHSJODWFM-UHFFFAOYSA-N 1 3 248.461 2.099 20 0 BEADHO C[N@H+](CCC1SCCS1)CC(C)(C)CN ZINC000853022898 588716453 /nfs/dbraw/zinc/71/64/53/588716453.db2.gz HBDPDLHSJODWFM-UHFFFAOYSA-N 1 3 248.461 2.099 20 0 BEADHO C[N@@H+](CCC1SCCS1)CC(C)(C)CN ZINC000853022898 588716454 /nfs/dbraw/zinc/71/64/54/588716454.db2.gz HBDPDLHSJODWFM-UHFFFAOYSA-N 1 3 248.461 2.099 20 0 BEADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853248942 588729042 /nfs/dbraw/zinc/72/90/42/588729042.db2.gz LZUKKXGFSOBOBP-LPEHRKFASA-N 1 3 238.297 2.305 20 0 BEADHO CC(C)[C@H]([NH3+])CCNCc1ccc2c[nH]nc2c1 ZINC000853247640 588729080 /nfs/dbraw/zinc/72/90/80/588729080.db2.gz VYTYXIWSVHWZNY-CYBMUJFWSA-N 1 3 246.358 2.026 20 0 BEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1C=CCC1 ZINC000854221338 588780375 /nfs/dbraw/zinc/78/03/75/588780375.db2.gz KNLNOIUUESTZIF-PWSUYJOCSA-N 1 3 231.343 2.218 20 0 BEADHO c1cc(N2CCN(C3CCCC3)CC2)cc[nH+]1 ZINC000127890891 582594116 /nfs/dbraw/zinc/59/41/16/582594116.db2.gz DHMHYOIAYHSHFW-UHFFFAOYSA-N 1 3 231.343 2.146 20 0 BEADHO c1cc(N2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000127890891 582594118 /nfs/dbraw/zinc/59/41/18/582594118.db2.gz DHMHYOIAYHSHFW-UHFFFAOYSA-N 1 3 231.343 2.146 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000892105239 582792629 /nfs/dbraw/zinc/79/26/29/582792629.db2.gz XSWFJTQSIBHGRP-VXGBXAGGSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000892105239 582792631 /nfs/dbraw/zinc/79/26/31/582792631.db2.gz XSWFJTQSIBHGRP-VXGBXAGGSA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@@H]1CCC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000394501539 582988910 /nfs/dbraw/zinc/98/89/10/582988910.db2.gz BHVMEHSVEQMXNE-QPSCCSFWSA-N 1 3 236.403 2.354 20 0 BEADHO N[C@]12CCC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC000857086549 588887093 /nfs/dbraw/zinc/88/70/93/588887093.db2.gz LRRMGOWWVLEMJF-AAEUAGOBSA-N 1 3 236.384 2.104 20 0 BEADHO N[C@]12CCC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC000857086549 588887094 /nfs/dbraw/zinc/88/70/94/588887094.db2.gz LRRMGOWWVLEMJF-AAEUAGOBSA-N 1 3 236.384 2.104 20 0 BEADHO CN1CCC(C[N@@H+]2CCCc3occc3C2)CC1 ZINC000894527233 583477670 /nfs/dbraw/zinc/47/76/70/583477670.db2.gz KYFXPDUXBBSAFD-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO CN1CCC(C[N@H+]2CCCc3occc3C2)CC1 ZINC000894527233 583477671 /nfs/dbraw/zinc/47/76/71/583477671.db2.gz KYFXPDUXBBSAFD-UHFFFAOYSA-N 1 3 248.370 2.370 20 0 BEADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)CCC1(F)F ZINC000894533319 583479016 /nfs/dbraw/zinc/47/90/16/583479016.db2.gz FWDVYXLZZKVMOR-LLVKDONJSA-N 1 3 246.345 2.305 20 0 BEADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCC1(F)F ZINC000894533319 583479018 /nfs/dbraw/zinc/47/90/18/583479018.db2.gz FWDVYXLZZKVMOR-LLVKDONJSA-N 1 3 246.345 2.305 20 0 BEADHO C[NH+]1CCC(CN2CCC[C@](C)(F)C2)CC1 ZINC000894659282 583504216 /nfs/dbraw/zinc/50/42/16/583504216.db2.gz QAWJSFSKNCCWMV-ZDUSSCGKSA-N 1 3 228.355 2.152 20 0 BEADHO C[C@H](CSCCF)[NH2+]CC[C@H](C)N(C)C ZINC000895291534 583637010 /nfs/dbraw/zinc/63/70/10/583637010.db2.gz FWZOGPGAWVNBRQ-MNOVXSKESA-N 1 3 236.400 2.007 20 0 BEADHO C[C@H](CSCCF)NCC[C@H](C)[NH+](C)C ZINC000895291534 583637011 /nfs/dbraw/zinc/63/70/11/583637011.db2.gz FWZOGPGAWVNBRQ-MNOVXSKESA-N 1 3 236.400 2.007 20 0 BEADHO C[C@@H](CC[NH2+]C[C@@H]1CC1(Cl)Cl)N(C)C ZINC000895292087 583637617 /nfs/dbraw/zinc/63/76/17/583637617.db2.gz MBNKWFPSUMWJKJ-IUCAKERBSA-N 1 3 239.190 2.110 20 0 BEADHO COC1(C[C@H](C)[NH2+]CC[C@H](C)N(C)C)CCC1 ZINC000895294579 583638167 /nfs/dbraw/zinc/63/81/67/583638167.db2.gz RTRGIIKZZHEZSI-STQMWFEESA-N 1 3 242.407 2.264 20 0 BEADHO CC[C@@H]1C[C@@H](C[NH2+]CC[C@H](C)N(C)C)CCO1 ZINC000895296939 583641505 /nfs/dbraw/zinc/64/15/05/583641505.db2.gz RDXPYHAUHHXTMB-MELADBBJSA-N 1 3 242.407 2.121 20 0 BEADHO CCCSC[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895429951 583668919 /nfs/dbraw/zinc/66/89/19/583668919.db2.gz ZRLLWVJPOORITN-NWDGAFQWSA-N 1 3 232.437 2.448 20 0 BEADHO CCCSC[C@H](C)NCC[C@@H](C)[NH+](C)C ZINC000895429951 583668920 /nfs/dbraw/zinc/66/89/20/583668920.db2.gz ZRLLWVJPOORITN-NWDGAFQWSA-N 1 3 232.437 2.448 20 0 BEADHO CCCSC[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895429953 583669244 /nfs/dbraw/zinc/66/92/44/583669244.db2.gz ZRLLWVJPOORITN-VXGBXAGGSA-N 1 3 232.437 2.448 20 0 BEADHO CCCSC[C@@H](C)NCC[C@@H](C)[NH+](C)C ZINC000895429953 583669246 /nfs/dbraw/zinc/66/92/46/583669246.db2.gz ZRLLWVJPOORITN-VXGBXAGGSA-N 1 3 232.437 2.448 20 0 BEADHO C[NH+](C)CC1CCN(C/C=C/Cl)CC1 ZINC000727932310 583837812 /nfs/dbraw/zinc/83/78/12/583837812.db2.gz ZSLLUACDJYNGBN-ZZXKWVIFSA-N 1 3 216.756 2.013 20 0 BEADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCC=CO2)CC1(C)C ZINC000858158542 588936084 /nfs/dbraw/zinc/93/60/84/588936084.db2.gz LFAPBTNGLSCKHV-STQMWFEESA-N 1 3 238.375 2.142 20 0 BEADHO C[N@H+]1CC[C@H](NC[C@@H]2CCC=CO2)CC1(C)C ZINC000858158542 588936085 /nfs/dbraw/zinc/93/60/85/588936085.db2.gz LFAPBTNGLSCKHV-STQMWFEESA-N 1 3 238.375 2.142 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000897955449 584065430 /nfs/dbraw/zinc/06/54/30/584065430.db2.gz UVAGLQKMQOTMSJ-QMIVOQANSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897955449 584065431 /nfs/dbraw/zinc/06/54/31/584065431.db2.gz UVAGLQKMQOTMSJ-QMIVOQANSA-N 1 3 234.387 2.391 20 0 BEADHO C1[C@H]2CCC[C@H]2[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897955449 584065432 /nfs/dbraw/zinc/06/54/32/584065432.db2.gz UVAGLQKMQOTMSJ-QMIVOQANSA-N 1 3 234.387 2.391 20 0 BEADHO NCc1ccc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)s1 ZINC000899323622 584196656 /nfs/dbraw/zinc/19/66/56/584196656.db2.gz SQMSAFAQMLJCCZ-LBPRGKRZSA-N 1 3 244.363 2.300 20 0 BEADHO CSCC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902328447 584560831 /nfs/dbraw/zinc/56/08/31/584560831.db2.gz KVONVHZXRKCSDP-NEPJUHHUSA-N 1 3 244.448 2.496 20 0 BEADHO CSC[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331944 584563080 /nfs/dbraw/zinc/56/30/80/584563080.db2.gz WZTVKGSMGXHNFH-MNOVXSKESA-N 1 3 230.421 2.106 20 0 BEADHO CSC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902331944 584563081 /nfs/dbraw/zinc/56/30/81/584563081.db2.gz WZTVKGSMGXHNFH-MNOVXSKESA-N 1 3 230.421 2.106 20 0 BEADHO C[C@H](Cc1coc2ccccc12)NCC1([NH3+])CC1 ZINC000902409710 584575512 /nfs/dbraw/zinc/57/55/12/584575512.db2.gz MQRCGQMPCYYEKZ-LLVKDONJSA-N 1 3 244.338 2.445 20 0 BEADHO CC1(C)C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391053 584581930 /nfs/dbraw/zinc/58/19/30/584581930.db2.gz SBWKCIFLOWNQAB-MNOVXSKESA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)C[C@@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902391053 584581932 /nfs/dbraw/zinc/58/19/32/584581932.db2.gz SBWKCIFLOWNQAB-MNOVXSKESA-N 1 3 210.365 2.153 20 0 BEADHO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902392794 584583439 /nfs/dbraw/zinc/58/34/39/584583439.db2.gz MSSGKAFYFBDVFG-SDDRHHMPSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@H]1SCC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902392794 584583442 /nfs/dbraw/zinc/58/34/42/584583442.db2.gz MSSGKAFYFBDVFG-SDDRHHMPSA-N 1 3 242.432 2.248 20 0 BEADHO C[C@@]1(CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC1(F)F ZINC000902400959 584586898 /nfs/dbraw/zinc/58/68/98/584586898.db2.gz YNVUEIOHUWZOMK-PWSUYJOCSA-N 1 3 246.345 2.400 20 0 BEADHO C[C@@]1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CC1(F)F ZINC000902400959 584586900 /nfs/dbraw/zinc/58/69/00/584586900.db2.gz YNVUEIOHUWZOMK-PWSUYJOCSA-N 1 3 246.345 2.400 20 0 BEADHO CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000902434785 584595947 /nfs/dbraw/zinc/59/59/47/584595947.db2.gz ZOPFLMXQRLOLFH-FUNVUKJBSA-N 1 3 222.376 2.295 20 0 BEADHO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902440902 584597628 /nfs/dbraw/zinc/59/76/28/584597628.db2.gz BEOYVNGAYPWNPJ-GHMZBOCLSA-N 1 3 212.381 2.399 20 0 BEADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)C1CCC1 ZINC000902441920 584597699 /nfs/dbraw/zinc/59/76/99/584597699.db2.gz FWXUMRREWAROEF-NWDGAFQWSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)C1CCSCC1 ZINC000902443173 584598587 /nfs/dbraw/zinc/59/85/87/584598587.db2.gz KJHZLFMXRUKFJZ-JQWIXIFHSA-N 1 3 242.432 2.106 20 0 BEADHO C[C@@H](CCC1CC1)[NH2+][C@H]1CNCC1(C)C ZINC000902444857 584599036 /nfs/dbraw/zinc/59/90/36/584599036.db2.gz OVHNVZLBAXJWAG-JQWIXIFHSA-N 1 3 210.365 2.153 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000902445857 584599071 /nfs/dbraw/zinc/59/90/71/584599071.db2.gz MWDRDXSSCPGUNY-JQYRIEHKSA-N 1 3 228.405 2.128 20 0 BEADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(N)CC1 ZINC000902414290 584599468 /nfs/dbraw/zinc/59/94/68/584599468.db2.gz VVIOLGCMBNSGJX-CYBMUJFWSA-N 1 3 246.354 2.290 20 0 BEADHO C[C@H](Cc1ccc(Cl)cc1)NCC1([NH3+])CC1 ZINC000902414262 584599479 /nfs/dbraw/zinc/59/94/79/584599479.db2.gz UWBHTUXMAKSBGJ-SNVBAGLBSA-N 1 3 238.762 2.352 20 0 BEADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CC2)C1(CC)CC ZINC000902414535 584600607 /nfs/dbraw/zinc/60/06/07/584600607.db2.gz WSYSMGYZKDLWIT-NWDGAFQWSA-N 1 3 240.391 2.051 20 0 BEADHO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902473153 584601031 /nfs/dbraw/zinc/60/10/31/584601031.db2.gz SKFVLCCXPYXZMK-DRPJVOAASA-N 1 3 244.382 2.490 20 0 BEADHO CC1(C)CNC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000902447549 584604762 /nfs/dbraw/zinc/60/47/62/584604762.db2.gz ZLXUKTCQXDCLIZ-OLZOCXBDSA-N 1 3 222.376 2.153 20 0 BEADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000902447566 584605070 /nfs/dbraw/zinc/60/50/70/584605070.db2.gz ZQWBILILAGTDCJ-RYUDHWBXSA-N 1 3 222.376 2.297 20 0 BEADHO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902447502 584605191 /nfs/dbraw/zinc/60/51/91/584605191.db2.gz YPSXDOJMFFMBFA-UTUOFQBUSA-N 1 3 224.392 2.399 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNCC1(C)C)C1CCCC1 ZINC000902448734 584605259 /nfs/dbraw/zinc/60/52/59/584605259.db2.gz HZDBHCVCLKYFGL-ZYHUDNBSSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)CCC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902448904 584605312 /nfs/dbraw/zinc/60/53/12/584605312.db2.gz JFRDRJIZSHMLHY-GHMZBOCLSA-N 1 3 210.365 2.153 20 0 BEADHO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CCS1 ZINC000902451175 584606591 /nfs/dbraw/zinc/60/65/91/584606591.db2.gz GHFLTWQNMPIBIO-IJLUTSLNSA-N 1 3 242.432 2.378 20 0 BEADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000902450405 584607005 /nfs/dbraw/zinc/60/70/05/584607005.db2.gz DBYLETOSIKYIDH-TUAOUCFPSA-N 1 3 210.365 2.425 20 0 BEADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)C1 ZINC000902455434 584609299 /nfs/dbraw/zinc/60/92/99/584609299.db2.gz LZZUHZBATFXQKN-OBPIAQAESA-N 1 3 208.349 2.035 20 0 BEADHO C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]12)[C@H]1CCCC[NH2+]1 ZINC000902454859 584609737 /nfs/dbraw/zinc/60/97/37/584609737.db2.gz JATAGWDYHNROGZ-ODXJTPSBSA-N 1 3 222.376 2.295 20 0 BEADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902458635 584610919 /nfs/dbraw/zinc/61/09/19/584610919.db2.gz WWWFSEWJTOXJDG-IKOXMDCHSA-N 1 3 222.376 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902459119 584611159 /nfs/dbraw/zinc/61/11/59/584611159.db2.gz XGRDUTMVBIHHPB-HTVCTNPSSA-N 1 3 222.376 2.282 20 0 BEADHO C[C@@H]1CC[C@@H](C)[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000902462983 584612118 /nfs/dbraw/zinc/61/21/18/584612118.db2.gz YLNXSWLIRCAFNO-BUCHIQEDSA-N 1 3 222.376 2.294 20 0 BEADHO C1CC1[C@@H]1CCCC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902463636 584612354 /nfs/dbraw/zinc/61/23/54/584612354.db2.gz AERUVHRGIZAXCH-VQJWOFKYSA-N 1 3 234.387 2.438 20 0 BEADHO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902464589 584613154 /nfs/dbraw/zinc/61/31/54/584613154.db2.gz AORHWIFDRGYLID-CAOSSQGBSA-N 1 3 244.382 2.490 20 0 BEADHO C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902467583 584615056 /nfs/dbraw/zinc/61/50/56/584615056.db2.gz OYORRMAFKJNXQV-PEBLQZBPSA-N 1 3 220.360 2.048 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470481 584616237 /nfs/dbraw/zinc/61/62/37/584616237.db2.gz YOVOAPNUAKDCFW-MBJXGIAVSA-N 1 3 222.376 2.438 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000902505795 584621646 /nfs/dbraw/zinc/62/16/46/584621646.db2.gz UCWOQSYDESEANA-MROQNXINSA-N 1 3 208.349 2.201 20 0 BEADHO Cc1ncccc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000902511754 584623248 /nfs/dbraw/zinc/62/32/48/584623248.db2.gz FJUIARWQAJYKLH-CABCVRRESA-N 1 3 247.386 2.182 20 0 BEADHO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCCCN1 ZINC000902481861 584623941 /nfs/dbraw/zinc/62/39/41/584623941.db2.gz HLNTXJFTJCJTCG-KBPBESRZSA-N 1 3 242.407 2.313 20 0 BEADHO COc1ccsc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902486055 584625447 /nfs/dbraw/zinc/62/54/47/584625447.db2.gz OMJQJQZFDHMPMV-GUBZILKMSA-N 1 3 240.372 2.145 20 0 BEADHO C[C@@H](C[NH2+]C1CC2(CCC2)C1)CN(C)C ZINC000903174861 584732758 /nfs/dbraw/zinc/73/27/58/584732758.db2.gz NTAUCLMEKCZBDS-NSHDSACASA-N 1 3 210.365 2.106 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903252496 584738939 /nfs/dbraw/zinc/73/89/39/584738939.db2.gz DITRWFOBDWPRHK-LWGJEFJTSA-N 1 3 234.387 2.247 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000903252496 584738940 /nfs/dbraw/zinc/73/89/40/584738940.db2.gz DITRWFOBDWPRHK-LWGJEFJTSA-N 1 3 234.387 2.247 20 0 BEADHO C[N@H+](Cc1ccc2cc[nH]c2c1)C1CCNCC1 ZINC000903421694 584763980 /nfs/dbraw/zinc/76/39/80/584763980.db2.gz RUGJSICDJMGAAA-UHFFFAOYSA-N 1 3 243.354 2.352 20 0 BEADHO C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CCNCC1 ZINC000903421694 584763981 /nfs/dbraw/zinc/76/39/81/584763981.db2.gz RUGJSICDJMGAAA-UHFFFAOYSA-N 1 3 243.354 2.352 20 0 BEADHO CC1CC(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000903740886 584796312 /nfs/dbraw/zinc/79/63/12/584796312.db2.gz LTJDSCSDCWYTFY-CVSAEHQPSA-N 1 3 236.403 2.497 20 0 BEADHO CN(C[C@@H]1CC1(C)C)C[C@@H]1CCCC[NH2+]C1 ZINC000903769892 584797745 /nfs/dbraw/zinc/79/77/45/584797745.db2.gz QXQRTESYMMNWKE-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCCCNC1 ZINC000903769892 584797747 /nfs/dbraw/zinc/79/77/47/584797747.db2.gz QXQRTESYMMNWKE-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCCCNC1 ZINC000903769892 584797748 /nfs/dbraw/zinc/79/77/48/584797748.db2.gz QXQRTESYMMNWKE-OLZOCXBDSA-N 1 3 224.392 2.354 20 0 BEADHO CNC[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC000903782030 584800068 /nfs/dbraw/zinc/80/00/68/584800068.db2.gz DQSIDDVUXQTRAF-WXRRBKDZSA-N 1 3 210.365 2.106 20 0 BEADHO CNC[C@H]1CCCC[N@H+]1CC1CC(C)C1 ZINC000903782030 584800070 /nfs/dbraw/zinc/80/00/70/584800070.db2.gz DQSIDDVUXQTRAF-WXRRBKDZSA-N 1 3 210.365 2.106 20 0 BEADHO C[C@H]1CSCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903831609 584806328 /nfs/dbraw/zinc/80/63/28/584806328.db2.gz KXEYVSFJAQSKQP-STQMWFEESA-N 1 3 242.432 2.204 20 0 BEADHO CCCCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903849580 584808030 /nfs/dbraw/zinc/80/80/30/584808030.db2.gz DJSHFTZXKZEKQX-STQMWFEESA-N 1 3 210.365 2.380 20 0 BEADHO CCCCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903849577 584808108 /nfs/dbraw/zinc/80/81/08/584808108.db2.gz DJSHFTZXKZEKQX-CHWSQXEVSA-N 1 3 210.365 2.380 20 0 BEADHO C[C@@H]1CC=CC[C@H]1[NH2+]CCCNC1CC1 ZINC000903850394 584808373 /nfs/dbraw/zinc/80/83/73/584808373.db2.gz PQPRHMQHJJJNGA-DGCLKSJQSA-N 1 3 208.349 2.073 20 0 BEADHO Cc1ccc(CCN2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903855092 584809041 /nfs/dbraw/zinc/80/90/41/584809041.db2.gz LIFGVQFIMJWEGT-JKSUJKDBSA-N 1 3 244.382 2.351 20 0 BEADHO CC[C@H](CC(F)F)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857360 584810140 /nfs/dbraw/zinc/81/01/40/584810140.db2.gz DKWPIWQFQJAFRP-MDZLAQPJSA-N 1 3 246.345 2.481 20 0 BEADHO NC[C@]12CC[C@@H]1CC[N@@H+]2Cc1ccccc1CF ZINC000903863361 584812985 /nfs/dbraw/zinc/81/29/85/584812985.db2.gz KVUKDCMRQONQJI-HUUCEWRRSA-N 1 3 248.345 2.469 20 0 BEADHO NC[C@]12CC[C@@H]1CC[N@H+]2Cc1ccccc1CF ZINC000903863361 584812986 /nfs/dbraw/zinc/81/29/86/584812986.db2.gz KVUKDCMRQONQJI-HUUCEWRRSA-N 1 3 248.345 2.469 20 0 BEADHO CC[C@@]1(C)CCC[N@H+](C[C@H](N)CC(F)F)C1 ZINC000903894987 584819563 /nfs/dbraw/zinc/81/95/63/584819563.db2.gz JBSAZXWBRUXVHG-PWSUYJOCSA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@@]1(C)CCC[N@@H+](C[C@H](N)CC(F)F)C1 ZINC000903894987 584819564 /nfs/dbraw/zinc/81/95/64/584819564.db2.gz JBSAZXWBRUXVHG-PWSUYJOCSA-N 1 3 234.334 2.481 20 0 BEADHO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963608 584833516 /nfs/dbraw/zinc/83/35/16/584833516.db2.gz BZPHTLXVGIGPLH-UMSGYPCISA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000903964110 584833921 /nfs/dbraw/zinc/83/39/21/584833921.db2.gz LXPUGVWQDGQARB-UJPOAAIJSA-N 1 3 210.365 2.009 20 0 BEADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000903964095 584834214 /nfs/dbraw/zinc/83/42/14/584834214.db2.gz LJADWHKUEKEHNH-NJMOYASZSA-N 1 3 210.365 2.009 20 0 BEADHO CC[C@@H](Cc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967746 584834887 /nfs/dbraw/zinc/83/48/87/584834887.db2.gz MXURHVLIJABDNK-KBMXLJTQSA-N 1 3 246.398 2.453 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904313456 584863319 /nfs/dbraw/zinc/86/33/19/584863319.db2.gz UOGBKINGXFAPAY-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904313456 584863321 /nfs/dbraw/zinc/86/33/21/584863321.db2.gz UOGBKINGXFAPAY-NEPJUHHUSA-N 1 3 212.381 2.482 20 0 BEADHO [NH3+][C@H]1C[C@@H](CNCc2ccccc2Cl)C1 ZINC000904362178 584872104 /nfs/dbraw/zinc/87/21/04/584872104.db2.gz HVCOWSWZLYVRTB-JGZJWPJOSA-N 1 3 224.735 2.167 20 0 BEADHO C[C@@]1(C[N@@H+]2CC[C@@H](C3CCC3)C2)CCCNC1 ZINC000904372694 584874089 /nfs/dbraw/zinc/87/40/89/584874089.db2.gz GRIGVQYNELRCEF-HUUCEWRRSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@]1(C[N@H+]2CC[C@@H](C3CCC3)C2)CCCNC1 ZINC000904372694 584874091 /nfs/dbraw/zinc/87/40/91/584874091.db2.gz GRIGVQYNELRCEF-HUUCEWRRSA-N 1 3 236.403 2.498 20 0 BEADHO C[C@]1(C[NH2+]CCc2ccccc2)CCCNC1 ZINC000904364688 584875049 /nfs/dbraw/zinc/87/50/49/584875049.db2.gz ORMNZSOVGXASNF-HNNXBMFYSA-N 1 3 232.371 2.208 20 0 BEADHO C[C@]1(CNCCc2ccccc2)CCC[NH2+]C1 ZINC000904364688 584875050 /nfs/dbraw/zinc/87/50/50/584875050.db2.gz ORMNZSOVGXASNF-HNNXBMFYSA-N 1 3 232.371 2.208 20 0 BEADHO COc1ccc([C@H](C)NCCC[NH3+])cc1C ZINC000904389598 584875177 /nfs/dbraw/zinc/87/51/77/584875177.db2.gz OKAXLKAAWGFDMN-NSHDSACASA-N 1 3 222.332 2.003 20 0 BEADHO C[N@H+](C[C@H]1CC1(C)C)C[C@@]1(C)CCCNC1 ZINC000904378497 584876104 /nfs/dbraw/zinc/87/61/04/584876104.db2.gz DVBXQPRSLZWICC-OCCSQVGLSA-N 1 3 224.392 2.354 20 0 BEADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@@]1(C)CCCNC1 ZINC000904378497 584876105 /nfs/dbraw/zinc/87/61/05/584876105.db2.gz DVBXQPRSLZWICC-OCCSQVGLSA-N 1 3 224.392 2.354 20 0 BEADHO CN(C[C@H]1CC1(C)C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904378497 584876106 /nfs/dbraw/zinc/87/61/06/584876106.db2.gz DVBXQPRSLZWICC-OCCSQVGLSA-N 1 3 224.392 2.354 20 0 BEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(O)cc1 ZINC000685470095 585021716 /nfs/dbraw/zinc/02/17/16/585021716.db2.gz UPZOGQPCBSUKNY-IUODEOHRSA-N 1 3 248.370 2.164 20 0 BEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(O)cc1 ZINC000685470095 585021717 /nfs/dbraw/zinc/02/17/17/585021717.db2.gz UPZOGQPCBSUKNY-IUODEOHRSA-N 1 3 248.370 2.164 20 0 BEADHO C[NH+](C)CCCC1CCN(CCF)CC1 ZINC000767004900 585512683 /nfs/dbraw/zinc/51/26/83/585512683.db2.gz VPONSUWFLNBDEE-UHFFFAOYSA-N 1 3 216.344 2.010 20 0 BEADHO C[NH+](C)CC1CCN(Cc2ccoc2)CC1 ZINC000768303501 585535083 /nfs/dbraw/zinc/53/50/83/585535083.db2.gz UPDKMYKHQGPQMO-UHFFFAOYSA-N 1 3 222.332 2.053 20 0 BEADHO C[C@H](C[NH2+]C1CC(C(F)F)C1)CN1CCCC1 ZINC000768676981 585541705 /nfs/dbraw/zinc/54/17/05/585541705.db2.gz GECUWJCGCQVHOK-VOMCLLRMSA-N 1 3 246.345 2.352 20 0 BEADHO CC[N@@H+]1CCC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000774988685 585669979 /nfs/dbraw/zinc/66/99/79/585669979.db2.gz FNNIGHGXKYCZPY-KGLIPLIRSA-N 1 3 238.375 2.001 20 0 BEADHO CC[N@H+]1CCC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000774988685 585669980 /nfs/dbraw/zinc/66/99/80/585669980.db2.gz FNNIGHGXKYCZPY-KGLIPLIRSA-N 1 3 238.375 2.001 20 0 BEADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 ZINC000782191548 585811366 /nfs/dbraw/zinc/81/13/66/585811366.db2.gz XAVGKFIIMJSRHD-RYUDHWBXSA-N 1 3 210.365 2.059 20 0 BEADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 ZINC000782191548 585811365 /nfs/dbraw/zinc/81/13/65/585811365.db2.gz XAVGKFIIMJSRHD-RYUDHWBXSA-N 1 3 210.365 2.059 20 0 BEADHO C[C@H]1CCCC[N@@H+]1CC1CCN(C)CC1 ZINC000788471093 585925160 /nfs/dbraw/zinc/92/51/60/585925160.db2.gz UEYGHDUUEWYJHY-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@H]1CCCC[N@H+]1CC1CCN(C)CC1 ZINC000788471093 585925161 /nfs/dbraw/zinc/92/51/61/585925161.db2.gz UEYGHDUUEWYJHY-LBPRGKRZSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1CCCC[N@@H+]1CC1CCN(C)CC1 ZINC000788471091 585925188 /nfs/dbraw/zinc/92/51/88/585925188.db2.gz UEYGHDUUEWYJHY-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO C[C@@H]1CCCC[N@H+]1CC1CCN(C)CC1 ZINC000788471091 585925189 /nfs/dbraw/zinc/92/51/89/585925189.db2.gz UEYGHDUUEWYJHY-GFCCVEGCSA-N 1 3 210.365 2.203 20 0 BEADHO C[NH+]1CCC([C@H]2CCN(Cc3ccoc3)C2)CC1 ZINC000809756113 586517707 /nfs/dbraw/zinc/51/77/07/586517707.db2.gz PXESPSWXOGXBDW-HNNXBMFYSA-N 1 3 248.370 2.443 20 0 BEADHO CCC(CC)(CN[C@H]1C[NH2+]CC[C@H]1C)SC ZINC000817900543 586835943 /nfs/dbraw/zinc/83/59/43/586835943.db2.gz PTIJLJWLEVHQFO-NEPJUHHUSA-N 1 3 244.448 2.496 20 0 BEADHO Cc1cccc(OCCCN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000817907777 586837410 /nfs/dbraw/zinc/83/74/10/586837410.db2.gz WETJPPWQBRKENW-LSDHHAIUSA-N 1 3 248.370 2.233 20 0 BEADHO CC[C@@H](NCCC[NH3+])c1ccc2c(c1)CCCO2 ZINC000817939087 586843823 /nfs/dbraw/zinc/84/38/23/586843823.db2.gz YRQOPSQIPLSXCM-CQSZACIVSA-N 1 3 248.370 2.401 20 0 BEADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CC1(Cl)Cl ZINC000817937598 586844603 /nfs/dbraw/zinc/84/46/03/586844603.db2.gz SRHIGGCGZODMHT-CIUDSAMLSA-N 1 3 239.190 2.286 20 0 BEADHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc2c(c1)CCO2 ZINC000817953717 586848982 /nfs/dbraw/zinc/84/89/82/586848982.db2.gz UDLGYNDZJDXUHO-WDEREUQCSA-N 1 3 234.343 2.009 20 0 BEADHO C[C@H](CSC(C)(C)C)N[C@H](C[NH3+])C1CC1 ZINC000817959567 586851281 /nfs/dbraw/zinc/85/12/81/586851281.db2.gz GZZUJWJXEFIZLN-MWLCHTKSSA-N 1 3 230.421 2.234 20 0 BEADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817961988 586853337 /nfs/dbraw/zinc/85/33/37/586853337.db2.gz FTXYJVXFIRQFNX-SMDDNHRTSA-N 1 3 248.370 2.257 20 0 BEADHO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](C)N ZINC000817973513 586859951 /nfs/dbraw/zinc/85/99/51/586859951.db2.gz UQMXLJZBDOZWAO-ZJUUUORDSA-N 1 3 210.296 2.132 20 0 BEADHO N[C@@H](C[NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000841050735 587939656 /nfs/dbraw/zinc/93/96/56/587939656.db2.gz SUCHAXCEEUNOPD-HNNXBMFYSA-N 1 3 241.338 2.062 20 0 BEADHO C[C@H](N)[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000841076732 587944369 /nfs/dbraw/zinc/94/43/69/587944369.db2.gz NIKLTQSTDDILIP-QWRGUYRKSA-N 1 3 229.327 2.060 20 0 BEADHO CC[C@H](N)C[NH2+]Cc1cncc2ccccc21 ZINC000841072542 587944485 /nfs/dbraw/zinc/94/44/85/587944485.db2.gz PDZVGMJCCCQDGF-ZDUSSCGKSA-N 1 3 229.327 2.062 20 0 BEADHO CC(C)(C)[C@@H](C[NH3+])NCCc1cccs1 ZINC000842475215 588029008 /nfs/dbraw/zinc/02/90/08/588029008.db2.gz LLCQFSAQUSZBSB-LLVKDONJSA-N 1 3 226.389 2.254 20 0 BEADHO [NH3+]CCCCCCCN1CCOC[C@H]1C1CC1 ZINC000842475983 588029560 /nfs/dbraw/zinc/02/95/60/588029560.db2.gz CPUSAXZDHWDGAR-AWEZNQCLSA-N 1 3 240.391 2.006 20 0 BEADHO [NH3+]CCCCCCCN1CCOC[C@@H]1C1CC1 ZINC000842475984 588029933 /nfs/dbraw/zinc/02/99/33/588029933.db2.gz CPUSAXZDHWDGAR-CQSZACIVSA-N 1 3 240.391 2.006 20 0 BEADHO C[C@H](NCCCCCC[NH3+])c1ccco1 ZINC000843342346 588101119 /nfs/dbraw/zinc/10/11/19/588101119.db2.gz KTFOBHHQLHCNFA-NSHDSACASA-N 1 3 210.321 2.449 20 0 BEADHO C[C@H](O)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848717888 588408097 /nfs/dbraw/zinc/40/80/97/588408097.db2.gz XACUTDYKDVGZBW-CQDKDKBSSA-N 1 3 248.370 2.099 20 0 BEADHO C[NH+](C)C1CCN(C[C@]2(C)CCCS2)CC1 ZINC000862223423 589195869 /nfs/dbraw/zinc/19/58/69/589195869.db2.gz PLWFHKFCUFDOMB-ZDUSSCGKSA-N 1 3 242.432 2.298 20 0 BEADHO CS[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000865733258 589459187 /nfs/dbraw/zinc/45/91/87/589459187.db2.gz GSQRQQHTWZHUQP-CYDGBPFRSA-N 1 3 240.416 2.097 20 0 BEADHO CS[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000865733258 589459188 /nfs/dbraw/zinc/45/91/88/589459188.db2.gz GSQRQQHTWZHUQP-CYDGBPFRSA-N 1 3 240.416 2.097 20 0 BEADHO C(CC1CC1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000866665834 589509469 /nfs/dbraw/zinc/50/94/69/589509469.db2.gz IKVXVEQVBAKNSF-AWEZNQCLSA-N 1 3 222.376 2.252 20 0 BEADHO CC(C)(N)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872257566 589901649 /nfs/dbraw/zinc/90/16/49/589901649.db2.gz TVIQUBNDECWVCI-CYBMUJFWSA-N 1 3 240.391 2.147 20 0 BEADHO CC(C)(N)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872257566 589901651 /nfs/dbraw/zinc/90/16/51/589901651.db2.gz TVIQUBNDECWVCI-CYBMUJFWSA-N 1 3 240.391 2.147 20 0 BEADHO Cn1ccc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000873223923 590000319 /nfs/dbraw/zinc/00/03/19/590000319.db2.gz UUWGTQXMCJSUGW-HNNXBMFYSA-N 1 3 249.402 2.222 20 0 BEADHO Cn1ccc(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)c1 ZINC000873223923 590000321 /nfs/dbraw/zinc/00/03/21/590000321.db2.gz UUWGTQXMCJSUGW-HNNXBMFYSA-N 1 3 249.402 2.222 20 0 BEADHO Cn1ccc(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)c1 ZINC000873223923 590000323 /nfs/dbraw/zinc/00/03/23/590000323.db2.gz UUWGTQXMCJSUGW-HNNXBMFYSA-N 1 3 249.402 2.222 20 0 BEADHO CC(C)(N)C[N@@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000873226874 590000659 /nfs/dbraw/zinc/00/06/59/590000659.db2.gz CUGGEASLSNVCDP-INIZCTEOSA-N 1 3 244.382 2.314 20 0 BEADHO CC(C)(N)C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000873226874 590000660 /nfs/dbraw/zinc/00/06/60/590000660.db2.gz CUGGEASLSNVCDP-INIZCTEOSA-N 1 3 244.382 2.314 20 0 BEADHO C([NH2+][C@]12CCC[C@H]1NCC2)C1CCCCC1 ZINC000873229645 590001393 /nfs/dbraw/zinc/00/13/93/590001393.db2.gz DGGWYXYZDJWCDC-KGLIPLIRSA-N 1 3 222.376 2.441 20 0 BEADHO CC1(C)CC[C@@H](CNC2CCSCC2)[NH2+]C1 ZINC000873235873 590004031 /nfs/dbraw/zinc/00/40/31/590004031.db2.gz TVCPVLDRKMYTFY-LBPRGKRZSA-N 1 3 242.432 2.250 20 0 BEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc(F)ccc1F ZINC000873253767 590009380 /nfs/dbraw/zinc/00/93/80/590009380.db2.gz DTKURWLVYMBUGN-KKZNHRDASA-N 1 3 240.297 2.353 20 0 BEADHO Cc1cc([C@@H](C)N[C@@H](C)C2CC[NH2+]CC2)no1 ZINC000873271621 590015913 /nfs/dbraw/zinc/01/59/13/590015913.db2.gz KGMRNJDPDQHWRY-WDEREUQCSA-N 1 3 237.347 2.022 20 0 BEADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@@H]1C=CCC1 ZINC000873281673 590018911 /nfs/dbraw/zinc/01/89/11/590018911.db2.gz OLCVDSUGQYOGQC-RWMBFGLXSA-N 1 3 210.365 2.448 20 0 BEADHO [NH3+][C@H]1CCC[C@@H]1NC1CC(Nc2ccccc2)C1 ZINC000873295324 590024471 /nfs/dbraw/zinc/02/44/71/590024471.db2.gz FRYUMYSBLRYALE-WUCCLRPBSA-N 1 3 245.370 2.099 20 0 BEADHO C([C@H]1CCCNC1)[NH+]1CCCCCCC1 ZINC000020266247 590093961 /nfs/dbraw/zinc/09/39/61/590093961.db2.gz LDPSEVMDESXUQV-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877742961 590409146 /nfs/dbraw/zinc/40/91/46/590409146.db2.gz SHYKWBFDSJOVBK-YNEHKIRRSA-N 1 3 210.365 2.059 20 0 BEADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877742961 590409149 /nfs/dbraw/zinc/40/91/49/590409149.db2.gz SHYKWBFDSJOVBK-YNEHKIRRSA-N 1 3 210.365 2.059 20 0 BEADHO CCN(CC)CCC[N@H+](C)C1(COC)CCC1 ZINC000880185588 590954669 /nfs/dbraw/zinc/95/46/69/590954669.db2.gz VLXMPAQRYHYKTO-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO CCN(CC)CCC[N@@H+](C)C1(COC)CCC1 ZINC000880185588 590954672 /nfs/dbraw/zinc/95/46/72/590954672.db2.gz VLXMPAQRYHYKTO-UHFFFAOYSA-N 1 3 242.407 2.219 20 0 BEADHO C[C@H]1C[N@H+](CC2CCC2)CCN1c1ccncc1 ZINC000880259089 590978708 /nfs/dbraw/zinc/97/87/08/590978708.db2.gz MKHNKCYSTJKYHC-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO C[C@H]1C[N@@H+](CC2CCC2)CCN1c1ccncc1 ZINC000880259089 590978710 /nfs/dbraw/zinc/97/87/10/590978710.db2.gz MKHNKCYSTJKYHC-ZDUSSCGKSA-N 1 3 245.370 2.392 20 0 BEADHO CCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262450 590981013 /nfs/dbraw/zinc/98/10/13/590981013.db2.gz ZSKBWWGAGYOBCQ-LBPRGKRZSA-N 1 3 219.332 2.002 20 0 BEADHO CCC[N@@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880262450 590981015 /nfs/dbraw/zinc/98/10/15/590981015.db2.gz ZSKBWWGAGYOBCQ-LBPRGKRZSA-N 1 3 219.332 2.002 20 0 BEADHO CCC[N@H+]1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880262450 590981018 /nfs/dbraw/zinc/98/10/18/590981018.db2.gz ZSKBWWGAGYOBCQ-LBPRGKRZSA-N 1 3 219.332 2.002 20 0 BEADHO C[C@H]1C[C@@H]1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880476118 591053267 /nfs/dbraw/zinc/05/32/67/591053267.db2.gz NTMHJIDGNQOVOG-QWHCGFSZSA-N 1 3 222.376 2.203 20 0 BEADHO [NH3+]C[C@@H]1CCN(Cc2coc3ccccc23)C1 ZINC000131030693 591542398 /nfs/dbraw/zinc/54/23/98/591542398.db2.gz QCLXBQJIMLRZGB-NSHDSACASA-N 1 3 230.311 2.213 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CCCC(C)(C)O1 ZINC000883418697 591653728 /nfs/dbraw/zinc/65/37/28/591653728.db2.gz PEJQLMNOYQIHBC-OCCSQVGLSA-N 1 3 242.407 2.297 20 0 BEADHO C=C/C=C/CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883429909 591661869 /nfs/dbraw/zinc/66/18/69/591661869.db2.gz HZRJEFBBPYKIBK-RDFMZFSFSA-N 1 3 220.360 2.194 20 0 BEADHO C[NH2+]CCCN(C)CC[C@H]1CCCC1(F)F ZINC000883433591 591664295 /nfs/dbraw/zinc/66/42/95/591664295.db2.gz UWEOUYXOESHOEZ-LLVKDONJSA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000883433591 591664296 /nfs/dbraw/zinc/66/42/96/591664296.db2.gz UWEOUYXOESHOEZ-LLVKDONJSA-N 1 3 234.334 2.353 20 0 BEADHO CNCCC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000883433591 591664297 /nfs/dbraw/zinc/66/42/97/591664297.db2.gz UWEOUYXOESHOEZ-LLVKDONJSA-N 1 3 234.334 2.353 20 0 BEADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCOC2)c2ccccc21 ZINC000132029213 591685181 /nfs/dbraw/zinc/68/51/81/591685181.db2.gz YXMMVVYDQGMHBT-GLQYFDAESA-N 1 3 246.354 2.147 20 0 BEADHO Cc1coc(CNCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000886142508 592163006 /nfs/dbraw/zinc/16/30/06/592163006.db2.gz DRDDWUTWAYEQBX-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO Cc1coc(CNCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000886142508 592163008 /nfs/dbraw/zinc/16/30/08/592163008.db2.gz DRDDWUTWAYEQBX-CYBMUJFWSA-N 1 3 236.359 2.410 20 0 BEADHO CC(C)[C@](C)(C[NH3+])NCCSC(F)(F)F ZINC000886829594 592350958 /nfs/dbraw/zinc/35/09/58/592350958.db2.gz CYVVZNPQVGTDCR-QMMMGPOBSA-N 1 3 244.326 2.202 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000300387869 592510163 /nfs/dbraw/zinc/51/01/63/592510163.db2.gz NHDAINSJQPXXNM-XQHKEYJVSA-N 1 3 242.432 2.378 20 0 BEADHO CC1(C)CNCC[C@@H]1[NH2+]CCCC1CC1 ZINC000300833806 592521447 /nfs/dbraw/zinc/52/14/47/592521447.db2.gz KVVLDJJRCQRVKZ-LBPRGKRZSA-N 1 3 210.365 2.154 20 0 BEADHO CC[C@@H](CC(C)C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540989 987913122 /nfs/dbraw/zinc/91/31/22/987913122.db2.gz LITKAQKPZYYPBP-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC[C@@H](CC(C)C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246540989 987913141 /nfs/dbraw/zinc/91/31/41/987913141.db2.gz LITKAQKPZYYPBP-XQQFMLRXSA-N 1 3 212.381 2.338 20 0 BEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(N)c2)C1 ZINC000925714678 634431582 /nfs/dbraw/zinc/43/15/82/634431582.db2.gz USGLLNWVXHBYMA-ZIAGYGMSSA-N 1 3 247.386 2.264 20 0 BEADHO CC1(C[NH2+][C@H]2CCNC23CCC3)CC(F)(F)C1 ZINC000925733854 634582187 /nfs/dbraw/zinc/58/21/87/634582187.db2.gz LPTORYLZGLNKQC-JTQLQIEISA-N 1 3 244.329 2.296 20 0 BEADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(CC2CC2)CC1 ZINC000925733409 634579079 /nfs/dbraw/zinc/57/90/79/634579079.db2.gz IOJAWUNQCJVQOR-YPMHNXCESA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925821674 635398389 /nfs/dbraw/zinc/39/83/89/635398389.db2.gz HNRLNZBDFFQXFB-AJSSQEGLSA-N 1 3 248.414 2.397 20 0 BEADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000925823012 635406084 /nfs/dbraw/zinc/40/60/84/635406084.db2.gz NNEVJDBMQBXZNT-YOVYLDAJSA-N 1 3 222.376 2.138 20 0 BEADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000925882143 635610507 /nfs/dbraw/zinc/61/05/07/635610507.db2.gz XOPSCLFYSLDVBU-ZIAGYGMSSA-N 1 3 222.376 2.450 20 0 BEADHO CO[C@@H](C)CNC1CC[NH+](CCC(C)C)CC1 ZINC000926247760 631501795 /nfs/dbraw/zinc/50/17/95/631501795.db2.gz WXZYWQJNOWCSMD-ZDUSSCGKSA-N 1 3 242.407 2.121 20 0 BEADHO CC(C)N(CCNC(=[NH2+])NC(C)(C)C)C(C)C ZINC000052040836 632052073 /nfs/dbraw/zinc/05/20/73/632052073.db2.gz GLPPMQHYPFXGSE-UHFFFAOYSA-N 1 3 242.411 2.018 20 0 BEADHO CC(C)[C@@H](C)[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755026 632565319 /nfs/dbraw/zinc/56/53/19/632565319.db2.gz POZKBXFBYCFORJ-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CC(C)[C@@H](C)[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000219755026 632565325 /nfs/dbraw/zinc/56/53/25/632565325.db2.gz POZKBXFBYCFORJ-OLZOCXBDSA-N 1 3 212.381 2.352 20 0 BEADHO CC[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219755970 632565649 /nfs/dbraw/zinc/56/56/49/632565649.db2.gz XBYYMBDUUDYABM-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000219755970 632565660 /nfs/dbraw/zinc/56/56/60/632565660.db2.gz XBYYMBDUUDYABM-KGLIPLIRSA-N 1 3 224.392 2.498 20 0 BEADHO C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000309761831 632667025 /nfs/dbraw/zinc/66/70/25/632667025.db2.gz IVMRXQJOHKBYEF-OLZOCXBDSA-N 1 3 224.392 2.497 20 0 BEADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@@H](N)C2)c1 ZINC000235343861 632675368 /nfs/dbraw/zinc/67/53/68/632675368.db2.gz PASPCRFCOCPAPP-OCCSQVGLSA-N 1 3 218.344 2.082 20 0 BEADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](N)C2)c1 ZINC000235343861 632675370 /nfs/dbraw/zinc/67/53/70/632675370.db2.gz PASPCRFCOCPAPP-OCCSQVGLSA-N 1 3 218.344 2.082 20 0 BEADHO CCCN1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000924580811 633032533 /nfs/dbraw/zinc/03/25/33/633032533.db2.gz YXZNKGXOADRIJG-LBPRGKRZSA-N 1 3 248.374 2.002 20 0 BEADHO C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000309761827 633242861 /nfs/dbraw/zinc/24/28/61/633242861.db2.gz IVMRXQJOHKBYEF-CHWSQXEVSA-N 1 3 224.392 2.497 20 0 BEADHO C[C@H]1C[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C[C@@H](C)C1 ZINC000328576960 633779177 /nfs/dbraw/zinc/77/91/77/633779177.db2.gz ZSFZWHFUHQUNMY-QVFPMHOFSA-N 1 3 248.414 2.397 20 0 BEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CCC1 ZINC000925519705 633878589 /nfs/dbraw/zinc/87/85/89/633878589.db2.gz VJKRRPMQYLDIHA-PBWFPOADSA-N 1 3 222.376 2.106 20 0 BEADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925541111 633955748 /nfs/dbraw/zinc/95/57/48/633955748.db2.gz HMUUOVTWYREYSU-KWCYVHTRSA-N 1 3 245.370 2.045 20 0 BEADHO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cn1 ZINC000925563189 634048555 /nfs/dbraw/zinc/04/85/55/634048555.db2.gz SKYBFKMYKVEGMV-UONOGXRCSA-N 1 3 247.386 2.386 20 0 BEADHO C[C@@]1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCCNC1 ZINC000310555054 634160425 /nfs/dbraw/zinc/16/04/25/634160425.db2.gz HUZBXPHKSZYJRG-QLFBSQMISA-N 1 3 236.403 2.498 20 0 BEADHO C[C@@]1(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCCNC1 ZINC000310555054 634160430 /nfs/dbraw/zinc/16/04/30/634160430.db2.gz HUZBXPHKSZYJRG-QLFBSQMISA-N 1 3 236.403 2.498 20 0 BEADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925682559 634283403 /nfs/dbraw/zinc/28/34/03/634283403.db2.gz CPSVANGSPCLFPN-BJJPWKGXSA-N 1 3 236.403 2.399 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094338967 635298759 /nfs/dbraw/zinc/29/87/59/635298759.db2.gz ZMRSGTGXXAFISQ-HIFRSBDPSA-N 1 3 232.371 2.473 20 0 BEADHO CC[C@@H](NC[C@H](COC)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000925874937 635594977 /nfs/dbraw/zinc/59/49/77/635594977.db2.gz XPNMCEPOFMBRRC-MCIONIFRSA-N 1 3 242.407 2.025 20 0 BEADHO COC[C@@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000925874408 635595827 /nfs/dbraw/zinc/59/58/27/635595827.db2.gz RKCNJGZZEZPBHY-MCIONIFRSA-N 1 3 242.407 2.025 20 0 BEADHO C[C@H](C[NH2+][C@H](C)CCc1cccnc1)CN(C)C ZINC000866364825 636883114 /nfs/dbraw/zinc/88/31/14/636883114.db2.gz QBZNNUXKIWUGEW-ZIAGYGMSSA-N 1 3 249.402 2.190 20 0 BEADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000086727883 636889589 /nfs/dbraw/zinc/88/95/89/636889589.db2.gz SJVXEZYSOZHYDR-OPRDCNLKSA-N 1 3 236.281 2.059 20 0 BEADHO NC1CC([NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000906511070 638182993 /nfs/dbraw/zinc/18/29/93/638182993.db2.gz RTHCOXLWLZVHKK-YHNBSYBMSA-N 1 3 244.382 2.477 20 0 BEADHO CC[C@@H](C[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906516270 638186242 /nfs/dbraw/zinc/18/62/42/638186242.db2.gz AKNRPROZUPCGMU-UBHSHLNASA-N 1 3 218.344 2.260 20 0 BEADHO CC[C@@H](CN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906516270 638186245 /nfs/dbraw/zinc/18/62/45/638186245.db2.gz AKNRPROZUPCGMU-UBHSHLNASA-N 1 3 218.344 2.260 20 0 BEADHO C[C@H](CN[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000906517977 638187844 /nfs/dbraw/zinc/18/78/44/638187844.db2.gz LSTSCBWGSXOMJP-OASPWFOLSA-N 1 3 222.307 2.009 20 0 BEADHO C[C@H](C[NH2+][C@H]1C[C@H](N)C1)c1ccc(F)cc1 ZINC000906517977 638187847 /nfs/dbraw/zinc/18/78/47/638187847.db2.gz LSTSCBWGSXOMJP-OASPWFOLSA-N 1 3 222.307 2.009 20 0 BEADHO C[C@@H](C[NH2+]C1CCCC1)CN1CCCC1 ZINC000057994367 640659585 /nfs/dbraw/zinc/65/95/85/640659585.db2.gz RCPGUZYIZVRVCK-LBPRGKRZSA-N 1 3 210.365 2.251 20 0 BEADHO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227055705 640814355 /nfs/dbraw/zinc/81/43/55/640814355.db2.gz CNATUTXXMAPJHG-DZGCQCFKSA-N 1 3 232.371 2.473 20 0 BEADHO C[C@]1(C[NH+]2CCCCCC2)CCCNC1 ZINC000062861649 641101328 /nfs/dbraw/zinc/10/13/28/641101328.db2.gz APWLYCSLUVQFHW-ZDUSSCGKSA-N 1 3 210.365 2.252 20 0 BEADHO CC(C)CC[N@H+](C)C[C@]1(C)CCCNC1 ZINC000062862453 641101435 /nfs/dbraw/zinc/10/14/35/641101435.db2.gz JHTWXIYJAHQYRQ-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CC[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000062862453 641101439 /nfs/dbraw/zinc/10/14/39/641101439.db2.gz JHTWXIYJAHQYRQ-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC(C)CCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000062862453 641101441 /nfs/dbraw/zinc/10/14/41/641101441.db2.gz JHTWXIYJAHQYRQ-CYBMUJFWSA-N 1 3 212.381 2.354 20 0 BEADHO CC[NH+](CC)CCCN[C@@H](C)Cc1cccnc1 ZINC000934231602 641110377 /nfs/dbraw/zinc/11/03/77/641110377.db2.gz WBDFGJBSQMEEMZ-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934231602 641110383 /nfs/dbraw/zinc/11/03/83/641110383.db2.gz WBDFGJBSQMEEMZ-AWEZNQCLSA-N 1 3 249.402 2.334 20 0 BEADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925472186 642390624 /nfs/dbraw/zinc/39/06/24/642390624.db2.gz AYURWSFHGMQMMW-REBRKWNGSA-N 1 3 236.403 2.400 20 0 BEADHO CCC[N@H+](CCOCC(C)C)C1CCNCC1 ZINC000233027562 642645187 /nfs/dbraw/zinc/64/51/87/642645187.db2.gz ULENRJVNMDYMQP-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCC[N@@H+](CCOCC(C)C)C1CCNCC1 ZINC000233027562 642645193 /nfs/dbraw/zinc/64/51/93/642645193.db2.gz ULENRJVNMDYMQP-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCCN(CCOCC(C)C)C1CC[NH2+]CC1 ZINC000233027562 642645200 /nfs/dbraw/zinc/64/52/00/642645200.db2.gz ULENRJVNMDYMQP-UHFFFAOYSA-N 1 3 242.407 2.123 20 0 BEADHO CCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000233096556 642649442 /nfs/dbraw/zinc/64/94/42/642649442.db2.gz KYKNZZRFLVEDDX-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO CC[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000233904845 642707564 /nfs/dbraw/zinc/70/75/64/642707564.db2.gz UXMBZFHWTXMKMS-AGIUHOORSA-N 1 3 210.365 2.297 20 0 BEADHO C[NH+](C)CCC1CCN(Cc2ccoc2)CC1 ZINC000092381289 643122799 /nfs/dbraw/zinc/12/27/99/643122799.db2.gz NUQYZRQUNMNQHO-UHFFFAOYSA-N 1 3 236.359 2.443 20 0 BEADHO C[NH2+]C[C@H]1CCCN(CCc2cccs2)C1 ZINC000082602426 643353585 /nfs/dbraw/zinc/35/35/85/643353585.db2.gz MLNLMZWHASRVET-GFCCVEGCSA-N 1 3 238.400 2.222 20 0 BEADHO C[C@@H]1CC([NH2+]C2CCNCC2)C[C@@H](C)C1 ZINC000082834911 643384692 /nfs/dbraw/zinc/38/46/92/643384692.db2.gz IGZACBDQKKCLEO-QWRGUYRKSA-N 1 3 210.365 2.153 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000084216609 643650627 /nfs/dbraw/zinc/65/06/27/643650627.db2.gz BZASSFVPXIYXQK-IHRRRGAJSA-N 1 3 222.376 2.450 20 0 BEADHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)CCCC1 ZINC000084222020 643651099 /nfs/dbraw/zinc/65/10/99/643651099.db2.gz WTFHSDCPEGQPSB-RYUDHWBXSA-N 1 3 210.365 2.284 20 0 BEADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000084217155 643651760 /nfs/dbraw/zinc/65/17/60/643651760.db2.gz RBKJUNLGYOPURY-AVGNSLFASA-N 1 3 208.349 2.202 20 0 BEADHO Cc1cc(C)cc(CN2CC[C@H](C[NH3+])C2)c1 ZINC000050245547 643661734 /nfs/dbraw/zinc/66/17/34/643661734.db2.gz CWSAHOCOKYKJDB-CYBMUJFWSA-N 1 3 218.344 2.084 20 0 BEADHO CC(C)[N@H+](CCCNC1CC1)C1CCC1 ZINC000923313681 644339821 /nfs/dbraw/zinc/33/98/21/644339821.db2.gz JTXAZRFILCGGDQ-UHFFFAOYSA-N 1 3 210.365 2.391 20 0 BEADHO CC(C)[N@@H+](CCCNC1CC1)C1CCC1 ZINC000923313681 644339827 /nfs/dbraw/zinc/33/98/27/644339827.db2.gz JTXAZRFILCGGDQ-UHFFFAOYSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2cccc(F)c2)C1 ZINC000923333055 644354999 /nfs/dbraw/zinc/35/49/99/644354999.db2.gz SWWDHBFOGNKJMD-WCQYABFASA-N 1 3 236.334 2.037 20 0 BEADHO C[C@@H]1CCC(C)(C)[N@@H+]1CCCNC1CC1 ZINC000923420438 644425568 /nfs/dbraw/zinc/42/55/68/644425568.db2.gz IUWIDPMXXJABRW-LLVKDONJSA-N 1 3 210.365 2.391 20 0 BEADHO C[C@@H]1CCC(C)(C)[N@H+]1CCCNC1CC1 ZINC000923420438 644425572 /nfs/dbraw/zinc/42/55/72/644425572.db2.gz IUWIDPMXXJABRW-LLVKDONJSA-N 1 3 210.365 2.391 20 0 BEADHO CNCCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526682 644484916 /nfs/dbraw/zinc/48/49/16/644484916.db2.gz RXXPNFZSPCABPS-ZIAGYGMSSA-N 1 3 222.376 2.106 20 0 BEADHO CNCCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526682 644484923 /nfs/dbraw/zinc/48/49/23/644484923.db2.gz RXXPNFZSPCABPS-ZIAGYGMSSA-N 1 3 222.376 2.106 20 0 BEADHO C(C1CCC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923533669 644488969 /nfs/dbraw/zinc/48/89/69/644488969.db2.gz MTGZQSZLXGZMRP-ZDUSSCGKSA-N 1 3 208.349 2.005 20 0 BEADHO C(C1CCC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923533669 644488978 /nfs/dbraw/zinc/48/89/78/644488978.db2.gz MTGZQSZLXGZMRP-ZDUSSCGKSA-N 1 3 208.349 2.005 20 0 BEADHO Cc1nc(CNCCCC[NH+](C)C)sc1C ZINC000087375848 644492805 /nfs/dbraw/zinc/49/28/05/644492805.db2.gz WISZUHLLEJYLEQ-UHFFFAOYSA-N 1 3 241.404 2.191 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754387 644900696 /nfs/dbraw/zinc/90/06/96/644900696.db2.gz BBLMGAFLDVWLFC-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO C[C@@H](N)[C@@H]1CC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000252754387 644900700 /nfs/dbraw/zinc/90/07/00/644900700.db2.gz BBLMGAFLDVWLFC-YIYPIFLZSA-N 1 3 224.392 2.482 20 0 BEADHO CSC1CC(NCCC[N@H+](C)CC(C)C)C1 ZINC000926644278 645332288 /nfs/dbraw/zinc/33/22/88/645332288.db2.gz FNLGGVXIHLJIFO-UHFFFAOYSA-N 1 3 244.448 2.448 20 0 BEADHO CSC1CC(NCCC[N@@H+](C)CC(C)C)C1 ZINC000926644278 645332293 /nfs/dbraw/zinc/33/22/93/645332293.db2.gz FNLGGVXIHLJIFO-UHFFFAOYSA-N 1 3 244.448 2.448 20 0 BEADHO C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2CN)C[C@@]1(F)Cl ZINC000844926576 645350842 /nfs/dbraw/zinc/35/08/42/645350842.db2.gz YULIPSJORMGUFA-USZNOCQGSA-N 1 3 248.773 2.408 20 0 BEADHO CCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925487330 645465854 /nfs/dbraw/zinc/46/58/54/645465854.db2.gz CIAUVUZZQVLPHM-OLZOCXBDSA-N 1 3 210.365 2.154 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCC1 ZINC000925484376 646297272 /nfs/dbraw/zinc/29/72/72/646297272.db2.gz DLUYBUQKDFSJDE-AGIUHOORSA-N 1 3 222.376 2.153 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)C1CCSCC1 ZINC000925486337 646297925 /nfs/dbraw/zinc/29/79/25/646297925.db2.gz HDJRPHKBCLJOLH-LBPRGKRZSA-N 1 3 240.416 2.004 20 0 BEADHO CC1(C)C[C@@H](NCc2cccnc2)C[C@@H]([NH3+])C1 ZINC000925494067 646301125 /nfs/dbraw/zinc/30/11/25/646301125.db2.gz MZNDAPHUPGHAGB-OLZOCXBDSA-N 1 3 233.359 2.077 20 0 BEADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925520921 646312981 /nfs/dbraw/zinc/31/29/81/646312981.db2.gz BHRLHNMEULFCHB-QJPTWQEYSA-N 1 3 240.416 2.145 20 0 BEADHO CCO[C@H](CCN[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000925525550 646317350 /nfs/dbraw/zinc/31/73/50/646317350.db2.gz DACPRFZOXPYGMT-MGPQQGTHSA-N 1 3 242.407 2.168 20 0 BEADHO C([NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000925535037 646321763 /nfs/dbraw/zinc/32/17/63/646321763.db2.gz BBCVLLJUXFRRNN-KBPBESRZSA-N 1 3 222.376 2.154 20 0 BEADHO CC(C)C1(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925579672 646345442 /nfs/dbraw/zinc/34/54/42/646345442.db2.gz NUUFCDZTZBEJJU-GFCCVEGCSA-N 1 3 222.376 2.297 20 0 BEADHO C[C@@H](C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC1 ZINC000925585973 646347772 /nfs/dbraw/zinc/34/77/72/646347772.db2.gz QLRDQYOHZVLJLK-GHYVTOPFSA-N 1 3 236.403 2.399 20 0 BEADHO CC1CC(CN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000929834297 646348563 /nfs/dbraw/zinc/34/85/63/646348563.db2.gz JLWDLOUCEYDHSP-UHFFFAOYSA-N 1 3 245.370 2.250 20 0 BEADHO CC1CC(C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000929834297 646348568 /nfs/dbraw/zinc/34/85/68/646348568.db2.gz JLWDLOUCEYDHSP-UHFFFAOYSA-N 1 3 245.370 2.250 20 0 BEADHO C1CC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925593393 646350522 /nfs/dbraw/zinc/35/05/22/646350522.db2.gz GGQBTUVBDVPIED-KGLIPLIRSA-N 1 3 222.376 2.297 20 0 BEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000925619334 646368240 /nfs/dbraw/zinc/36/82/40/646368240.db2.gz MRXTYNIINVICLO-CRWXNKLISA-N 1 3 234.387 2.461 20 0 BEADHO [NH3+]CCC[C@H](NCCF)c1ccccc1 ZINC000925655172 646393386 /nfs/dbraw/zinc/39/33/86/646393386.db2.gz QOTUTSGUSCEDPE-LBPRGKRZSA-N 1 3 210.296 2.026 20 0 BEADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCCSC1 ZINC000925672815 646400653 /nfs/dbraw/zinc/40/06/53/646400653.db2.gz KGQNEDAHQVJQEL-RYUDHWBXSA-N 1 3 240.416 2.004 20 0 BEADHO C[C@@H](F)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925678692 646403697 /nfs/dbraw/zinc/40/36/97/646403697.db2.gz WHOKHOSMUFMGFY-WISYIIOYSA-N 1 3 228.355 2.101 20 0 BEADHO CC1(C)[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)[C@@H]2CCCN[C@@H]21 ZINC000925689432 646417279 /nfs/dbraw/zinc/41/72/79/646417279.db2.gz GTSBBGMPPPCKFB-AIEDFZFUSA-N 1 3 248.414 2.399 20 0 BEADHO C1CC12C[C@H]2[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925703479 646427738 /nfs/dbraw/zinc/42/77/38/646427738.db2.gz GEJBGHPKNCCJOV-MELADBBJSA-N 1 3 234.387 2.297 20 0 BEADHO CC[C@H](C)CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925703987 646429135 /nfs/dbraw/zinc/42/91/35/646429135.db2.gz GGLPADKRRQASEB-NWDGAFQWSA-N 1 3 210.365 2.297 20 0 BEADHO C1=C[C@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925708675 646432371 /nfs/dbraw/zinc/43/23/71/646432371.db2.gz CZMUKHXBKTXYQL-KKUMJFAQSA-N 1 3 234.387 2.463 20 0 BEADHO C1=C[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925708675 646432375 /nfs/dbraw/zinc/43/23/75/646432375.db2.gz CZMUKHXBKTXYQL-KKUMJFAQSA-N 1 3 234.387 2.463 20 0 BEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCCc2ccoc2)C1 ZINC000925709035 646434632 /nfs/dbraw/zinc/43/46/32/646434632.db2.gz NRAAXZIZOOCWHS-STQMWFEESA-N 1 3 236.359 2.318 20 0 BEADHO CC1(C)C[C@]1(C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716880 646440788 /nfs/dbraw/zinc/44/07/88/646440788.db2.gz RNXWKDPQJZVJPT-UMNHJUIQSA-N 1 3 208.349 2.035 20 0 BEADHO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CNC[C@H]1C ZINC000925785509 646481719 /nfs/dbraw/zinc/48/17/19/646481719.db2.gz PLJRYAGMRCVNHY-UMSGYPCISA-N 1 3 212.381 2.399 20 0 BEADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCC(F)(F)CC1 ZINC000925786749 646483786 /nfs/dbraw/zinc/48/37/86/646483786.db2.gz VTMJQZGYFPMNII-CKYFFXLPSA-N 1 3 246.345 2.398 20 0 BEADHO C1=CCC(CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925834596 646502576 /nfs/dbraw/zinc/50/25/76/646502576.db2.gz ZERHZPCZRZBNQV-CYBMUJFWSA-N 1 3 220.360 2.217 20 0 BEADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)CCS1 ZINC000925855542 646511615 /nfs/dbraw/zinc/51/16/15/646511615.db2.gz CQBYPLJGHDSAMS-WRWGMCAJSA-N 1 3 228.405 2.001 20 0 BEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925882231 646530431 /nfs/dbraw/zinc/53/04/31/646530431.db2.gz ZWOBYHKENVCJPI-DGAVXFQQSA-N 1 3 222.376 2.284 20 0 BEADHO CN(C[C@@]1(C)CCC[NH2+]C1)C1CC(C)(C)C1 ZINC000395458740 711694655 /nfs/dbraw/zinc/69/46/55/711694655.db2.gz DCXKFVCCBOJNGD-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@H+](C[C@@]1(C)CCCNC1)C1CC(C)(C)C1 ZINC000395458740 711694657 /nfs/dbraw/zinc/69/46/57/711694657.db2.gz DCXKFVCCBOJNGD-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO C[N@@H+](C[C@@]1(C)CCCNC1)C1CC(C)(C)C1 ZINC000395458740 711694658 /nfs/dbraw/zinc/69/46/58/711694658.db2.gz DCXKFVCCBOJNGD-AWEZNQCLSA-N 1 3 224.392 2.497 20 0 BEADHO COC[C@H](C[N@@H+]1CCCC[C@@H]1CCN)C(C)C ZINC000721959268 711948148 /nfs/dbraw/zinc/94/81/48/711948148.db2.gz HGMRSTZDTFIJAJ-UONOGXRCSA-N 1 3 242.407 2.108 20 0 BEADHO COC[C@H](C[N@H+]1CCCC[C@@H]1CCN)C(C)C ZINC000721959268 711948149 /nfs/dbraw/zinc/94/81/49/711948149.db2.gz HGMRSTZDTFIJAJ-UONOGXRCSA-N 1 3 242.407 2.108 20 0 BEADHO C[C@@H](CC1CCC1)[NH2+]CC[C@H](C)N(C)C ZINC000700456703 711996224 /nfs/dbraw/zinc/99/62/24/711996224.db2.gz WVQKSVYDLCIKBS-RYUDHWBXSA-N 1 3 212.381 2.495 20 0 BEADHO C[C@@]1(C[NH2+][C@H]2CCCC23CC3)CCCNC1 ZINC000706589398 712150540 /nfs/dbraw/zinc/15/05/40/712150540.db2.gz OOCFSCHMIVIETA-QWHCGFSZSA-N 1 3 222.376 2.298 20 0 BEADHO CCCN1CC[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706816644 712156582 /nfs/dbraw/zinc/15/65/82/712156582.db2.gz RRMSDNBDIIMBKN-PNESKVBLSA-N 1 3 242.432 2.202 20 0 BEADHO CSC1CC([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000706920675 712160845 /nfs/dbraw/zinc/16/08/45/712160845.db2.gz XJZQLFJWWPIFQW-PNESKVBLSA-N 1 3 242.432 2.200 20 0 BEADHO C[C@H]1[NH2+]CCC[C@H]1NCC(C)(C)C(C)(F)F ZINC000711245140 712291178 /nfs/dbraw/zinc/29/11/78/712291178.db2.gz JRDVKEQCLGZEKO-NXEZZACHSA-N 1 3 234.334 2.398 20 0 BEADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)CCS1 ZINC000379545346 712387807 /nfs/dbraw/zinc/38/78/07/712387807.db2.gz YOWUKECNSUZYDY-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)CCS1 ZINC000379545346 712387808 /nfs/dbraw/zinc/38/78/08/712387808.db2.gz YOWUKECNSUZYDY-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)CCS1 ZINC000379545346 712387809 /nfs/dbraw/zinc/38/78/09/712387809.db2.gz YOWUKECNSUZYDY-OLZOCXBDSA-N 1 3 242.432 2.204 20 0 BEADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CCCC(C)(C)O2)C1 ZINC000714375217 712484320 /nfs/dbraw/zinc/48/43/20/712484320.db2.gz SEHQGDIAUYSEIS-GXTWGEPZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CCC[C@H](CN2CCC[C@@H](C[NH3+])C2)O1 ZINC000714373037 712484346 /nfs/dbraw/zinc/48/43/46/712484346.db2.gz BDIZJUPVVNTPEK-QWHCGFSZSA-N 1 3 240.391 2.005 20 0 BEADHO CC1(C)CCC[C@@H](CN2CCC[C@H](C[NH3+])C2)O1 ZINC000714373033 712484354 /nfs/dbraw/zinc/48/43/54/712484354.db2.gz BDIZJUPVVNTPEK-OLZOCXBDSA-N 1 3 240.391 2.005 20 0 BEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCC1CC1 ZINC000716412077 712559202 /nfs/dbraw/zinc/55/92/02/712559202.db2.gz GOOWIQICFNLJSZ-QWHCGFSZSA-N 1 3 210.365 2.284 20 0 BEADHO COCC(C)(C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000718713870 712777902 /nfs/dbraw/zinc/77/79/02/712777902.db2.gz AERMGYYXQGDSPS-OLZOCXBDSA-N 1 3 242.407 2.169 20 0 BEADHO COCC(C)(C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000718713873 712777908 /nfs/dbraw/zinc/77/79/08/712777908.db2.gz AERMGYYXQGDSPS-STQMWFEESA-N 1 3 242.407 2.169 20 0 BEADHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC(F)(F)C1 ZINC000720912888 712877892 /nfs/dbraw/zinc/87/78/92/712877892.db2.gz QYRPJRNIKFHNFM-ZJUUUORDSA-N 1 3 232.318 2.139 20 0 BEADHO CC[C@@H](N)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346377 1166303710 /nfs/dbraw/zinc/30/37/10/1166303710.db2.gz ZCRLFYZFLUFIPQ-GFCCVEGCSA-N 1 3 212.381 2.482 20 0 BEADHO